RDB01
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
    3.5350   -1.7460    0.9930 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.5930   -0.0890 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2920   -0.6900   -1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -0.5270   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    0.4950    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    1.6480    0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    1.8260    1.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.6820    2.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    2.5190   -0.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    0.5710    0.4880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0240    0.7120    1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220   -0.6980    0.2090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530   -0.9450    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -2.1110   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -2.8820   -1.1120 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650   -1.6050   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290   -1.5550   -1.1940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760   -2.5100    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700   -1.7450    1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570   -0.5970    1.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490   -0.1820    1.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390    1.7190   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    2.7790    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090    3.8240   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    3.8100   -1.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950    2.7590   -2.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    1.7160   -1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840   -1.9850   -0.5040 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4040   -1.2160   -2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490    0.2580   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    0.9020    3.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.2460    2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170    0.5900    3.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2880   -3.4030   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6940   -2.0450    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7930   -0.0130    2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590    0.7170    1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0620    2.8050    1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2860    4.6520    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340    4.6230   -1.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280    2.7560   -3.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    0.9040   -2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  CHG  2   1  -1  28  -1
M  END
$$$$
RDB02
 OpenBabel09302314563D

 43 46  0  0  1  0  0  0  0  0999 V2000
    3.5790   -1.0420    1.2390 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8830    0.3810 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9250   -1.8810   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.3550   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -0.1580    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    0.7630    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3870    0.8830   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5570    1.5440   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    1.5230    1.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.2830    0.4430 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0070    0.4960    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -0.8120    0.2570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3680   -0.7010    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350   -1.7870    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1230   -2.9450   -0.8050 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600   -1.9330   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270   -2.2260   -0.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4990   -1.8400    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1040   -0.8040    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3460    0.2670    1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9740    0.3350    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730    1.5090   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    2.7740    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    2.9580    1.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710    3.9050   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    3.7720   -1.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440    2.5350   -2.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430    1.4150   -1.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7720   -2.7070    0.3400 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9020   -2.9120   -1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680   -1.2660   -1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3350    2.5910    0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2590    1.4330   -0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.0260    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   -2.6680   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -0.8300    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8390    1.0660    2.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850    1.1750    1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910    2.4070    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    4.8590    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840    4.6380   -2.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120    2.4450   -3.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220    0.4520   -2.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDB03
 OpenBabel09302314563D

 43 46  0  0  1  0  0  0  0  0999 V2000
    3.7220   -0.1530   -0.4010 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8480   -1.2650   -0.9270 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7780   -2.3560   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870   -1.7120   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860   -0.6970    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -0.2390    1.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320    1.1260    1.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410    1.7120    2.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -0.9100    2.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040    0.0750    0.7810 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2080    0.3860    1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0930   -0.8300    0.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4490   -0.6860    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740   -1.4750   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -2.4310   -1.3690 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870   -1.7890   -0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970   -2.2150   -0.9390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6490   -1.4480   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2160   -0.6470    0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4060    0.1020    1.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0200    0.0920    1.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    1.3180   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850    2.1750   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    3.2990   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010    4.1750   -0.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    3.6150   -1.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    2.7560   -1.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.6160   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6670   -1.6780   -1.7390 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2300   -2.7810    0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -3.1530   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    2.7840    2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.3990    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7380    1.4090    3.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2910   -2.0390   -0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2950   -0.6140    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8670    0.7050    2.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    0.6630    2.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    1.9790    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8540    3.8760   -0.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    4.5010   -2.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140    2.9670   -2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    0.9670   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDB04
 OpenBabel09302314563D

 43 46  0  0  1  0  0  0  0  0999 V2000
    3.9680   -0.8700    0.9750 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4360   -0.9130   -0.1610 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4410   -0.3750   -1.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.4510   -0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.4650   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    1.7230    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0170    2.0210    1.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    1.0410    2.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    2.5730   -0.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.2800    0.5040 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1100    0.3220    1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -1.0570    0.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.5300    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -2.7670   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860   -3.3220   -1.1430 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -1.8600   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -1.6170   -1.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740   -3.3820    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570   -2.7600    1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270   -1.5390    1.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170   -0.9080    1.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    1.3750   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660    2.4990    0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    3.5300    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150    3.4070   -0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3610    4.3620   -1.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3160    2.3040   -1.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.2920   -1.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5330   -1.2600   -0.5790 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6480   -0.9950   -2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840    0.6490   -1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020    1.1340    2.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3340    0.0160    2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.3020    3.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440   -4.3330   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1080   -3.2300    1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -1.0700    2.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.0470    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    2.5830    1.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    4.4080    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080    5.1450   -0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020    2.2570   -2.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2810    0.4310   -1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDB05
 OpenBabel09302314563D

 44 47  0  0  1  0  0  0  0  0999 V2000
   -5.5020   -1.7710   -0.0340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.4500   -1.2160   -0.3110 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5580   -0.8520    1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1620   -0.7880    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    0.2620    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1960    1.5240   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    2.1170   -1.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    3.3140   -1.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110    2.0980    0.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420    0.1610   -0.5420 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2480    0.1900   -1.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -1.1470   -0.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670   -1.5430   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240   -2.8200   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090   -3.5350    0.8420 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210   -2.0890    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240   -1.9580    0.9930 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -3.3610   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700   -2.6300   -1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160   -1.3770   -1.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -0.8200   -1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400    1.2910   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1150    1.4460    1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6920    0.6370    2.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870    2.4620    1.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    3.3510    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    4.3690    1.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0330    3.2720   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    2.2380   -0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300   -0.8540   -1.3540 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8070   -1.6380    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070    0.0930    1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910    3.5810   -2.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2290    4.0850   -0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    3.1170   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530   -4.3390    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -3.0390   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320   -0.8230   -2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    0.1570   -1.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.0750    1.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    2.5430    2.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100    4.3900    1.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    4.0070   -1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370    2.1710   -2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
RDB06
 OpenBabel09302314563D

 44 47  0  0  1  0  0  0  0  0999 V2000
    2.3750   -1.2510   -1.7850 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8400   -2.2700   -1.2640 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0460   -2.8530    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630   -2.0580    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930   -0.9820    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8530   -0.6490    2.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970    0.6850    2.4590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510    1.1520    3.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.3640    2.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3290    0.0360    1.1120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6230    0.3970    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280   -0.5890    0.5030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7740    0.0210    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6990   -0.7390   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530   -2.2120   -0.9960 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860   -1.7790   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080   -2.4850   -0.3200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9960   -0.2940   -0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    0.9200    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4620    1.6760    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560    1.2420    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670    1.1760    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760    0.8300   -0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4960    1.7780   -1.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590    1.4330   -2.7370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4700    3.1230   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    4.1080   -1.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    3.4890   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    2.5020    0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -2.9320   -1.5630 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7980   -2.9040    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -3.8930   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    2.2250    3.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    0.9620    2.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130    0.6650    4.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7140   -0.8690   -1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3900    1.2840   -0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7780    2.6270    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    1.8420    1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670   -0.2090   -1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    0.4250   -2.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440    3.7120   -2.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660    4.5270    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110    2.7750    1.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
RDB07
 OpenBabel09302314563D

 47 50  0  0  1  0  0  0  0  0999 V2000
   -2.6160   -1.1180    1.5490 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0630   -2.2070    1.1890 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2750   -2.9020   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -2.1530   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -1.1050   -1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -0.6990   -2.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790    0.6200   -2.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020    1.1710   -3.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8430   -1.3420   -2.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   -0.2110   -1.2220 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6450   -0.0330   -2.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440   -0.8790   -0.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -0.3720   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -1.1040    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670   -2.4190    1.2250 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800   -1.9670    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580   -2.5980    0.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860   -0.7550    0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    0.3320   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960    1.0540   -0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620    0.7140   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.1040   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    1.0870    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430    2.2870    1.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530    2.4210    2.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220    1.2930    2.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830    3.5060    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380    4.7150    1.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    3.5230   -0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    2.3090   -1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0120   -2.8660    1.5930 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0060   -2.9470   -0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850   -3.9370    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060    2.2210   -3.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720    1.0760   -2.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270    0.6710   -4.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240   -1.3080    1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4400    0.6210    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0170    1.9030   -1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390    1.2880   -1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    0.1280    1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8630    1.6850    3.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590    0.4640    3.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100    0.9500    2.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    4.5990    2.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050    4.4690   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    2.3180   -2.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  CHG  2   1  -1  31  -1
M  END
$$$$
RDB08
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -3.5390   -0.5080    0.3510 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3220   -1.6960    0.6060 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4710   -2.4650   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -1.7290   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180   -0.4490   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    0.2490   -1.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3070    1.5510   -1.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720    2.1960   -1.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -0.1540   -2.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.3680   -1.0680 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3340    0.8510   -2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -0.5180   -0.8040 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120   -0.0540   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910   -1.0340   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360   -2.5380    0.2530 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   -1.8120   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530   -2.4290   -0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300   -0.7520    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3060    0.5190   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4410    1.4870   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0920    1.2170   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.4240    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    1.0680    1.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -0.2590    1.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950   -0.7460    2.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010    2.0390    2.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    3.3810    1.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1070    3.7530    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610    2.7740   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6330   -2.3690    1.5860 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1010   -2.4570   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -3.5100   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    3.1520   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3160    1.5950   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8670    2.3220   -2.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120   -1.4970    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3530    0.7560   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    2.4750   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    1.9800   -1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570   -1.8180    2.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -0.3040    2.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260   -0.5870    3.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    1.7420    3.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    4.1470    2.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0740    4.8000    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    3.0720   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
RDB09
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
   -2.1620   -2.4290    1.7650 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6050   -3.3530    1.0920 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0210   -3.4380   -0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9380   -2.4770   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.1760   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340   -0.6400   -1.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840    0.7210   -1.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4330    1.3690   -1.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950   -1.1930   -2.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.1630   -0.8070 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2240    0.4450   -1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600   -0.8550   -0.5300 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990   -0.2330   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -1.1110    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -2.7370    0.3190 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450   -2.2100   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230   -2.9950   -0.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9200   -0.6610    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2100    0.6750   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    1.5410   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    1.1010   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890    0.7300    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780    2.1210    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.5890   -1.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190    3.8430   -1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    2.9160    1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510    4.2900    1.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440    4.6900    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    2.3500    2.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9730    0.9700    2.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    0.1660    1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140   -4.2390    1.3340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8950   -3.2690   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110   -4.4870   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590    2.4190   -1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330    0.9800   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4950    1.2260   -3.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090   -1.3270    0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2210    1.0440    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    2.5800   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    1.7780   -1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    4.6390   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670    3.7620   -2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1990    4.0210   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    5.7740    0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010    4.4290    1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    4.2190   -0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    2.9900    3.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    0.5010    3.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380   -0.9330    1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 28  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
RDB10
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
    5.2170    1.2370    1.6480 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0740    0.9760    1.2960 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6320    1.7810   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030    1.6040   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940    0.5990   -0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.3610   -1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -1.5610   -1.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670   -2.6100   -2.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830   -0.2200   -2.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1050    0.3370   -0.9390 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2760    0.1300   -1.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    1.5560   -0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    1.7190   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890    2.8450    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970    3.6960    1.0360 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240    2.5130    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    2.5920    0.3500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260    3.1640    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6810    2.3660   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2880    1.2680   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9470    0.9360   -1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910   -0.8210   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440   -1.8620   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -1.7160   -1.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -2.7940   -2.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470   -2.9380    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360   -2.9590    1.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -3.9280    2.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -5.0110    2.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550   -1.9640    2.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280   -0.9090    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    0.2280    1.7570 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2840    1.3830   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9270    2.8250    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960   -3.4640   -2.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340   -2.7900   -2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100   -2.3620   -3.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420    4.0210    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7340    2.5990   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0460    0.6590   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510    0.0840   -1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020   -2.4510   -3.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320   -2.9340   -1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040   -3.7120   -2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190   -3.7170    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450   -5.6360    3.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770   -5.5590    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970   -4.6640    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.0260    3.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -0.1460    1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
RDB11
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
    4.0380    1.6450   -0.6190 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4630    1.2390    0.4610 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4240    0.3360    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    0.4490    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -0.3930   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870   -1.5830   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -1.5820   -1.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780   -0.3280   -2.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -2.6280   -0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.2170   -0.6730 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1080   -0.3300   -1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    1.1460   -0.3710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160    1.6440   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020    2.8200   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    3.2760    1.1190 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120    1.8500    0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.5480    1.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900    3.4560   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0050    2.9170   -1.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    1.7550   -2.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    1.1050   -1.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200   -1.2330   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5170   -2.1730   -0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   -2.1550   -2.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110   -3.0540   -2.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010   -3.0850   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890   -3.0680    1.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670   -2.1400    1.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -2.2240    3.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270   -1.4120    4.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920   -1.2270    1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    1.3740    1.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5110    0.7050    2.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8290   -0.6860    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -0.5410   -3.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    0.4440   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -0.0120   -3.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970    4.3610    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9410    3.4040   -1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2770    1.3480   -2.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450    0.1960   -2.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.7680   -3.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -4.0830   -2.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -2.9230   -2.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9320   -3.7940   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700   -3.7590    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6650   -1.7130    5.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5330   -0.3510    3.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2610   -1.6380    3.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.5220    1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 30  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
RDB12
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -4.1650   -0.2240    0.7600 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5960    0.4000   -0.2150 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5550    0.5270   -1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    0.7000   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760   -0.1830   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300   -1.4510    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920   -1.7570    1.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8710   -2.7390    2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7580   -2.2400   -0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    0.0800    0.5950 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4130    0.0960    1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550    1.4220    0.2260 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830    1.9370    0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    3.1700    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    3.6680   -1.1160 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180    2.1870   -0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520    1.9030   -1.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    3.8240    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570    3.2480    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400    2.0330    1.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560    1.3640    1.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410   -0.9930    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460   -1.9960    1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -2.9900    0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590   -2.9690   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4580   -3.9820   -0.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290   -4.1140   -1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2480   -1.9950   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230   -1.0100   -1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6870    0.9190   -0.4200 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8880    1.3520   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6810   -0.4190   -1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930   -3.7030    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110   -2.4130    1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220   -2.7560    3.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    4.7710   -0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    3.7480    1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350    1.5990    2.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180    0.4140    2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400   -2.0100    2.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060   -3.7760    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -5.0070   -1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420   -3.2420   -2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -4.2810   -2.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990   -1.9940   -2.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490   -0.2500   -1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
RDB13
 OpenBabel09302314563D

 54 57  0  0  1  0  0  0  0  0999 V2000
   -3.1260    1.9960   -0.4000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5540    3.0140   -0.8000 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4870    3.6090    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660    2.5740    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    1.3690    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170    1.0660    1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -0.1660    1.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340   -0.4040    1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6230    1.6930    2.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280    0.2540    1.0860 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4650   -0.0900    2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    0.7620    0.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940   -0.0390    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520    0.5990   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    2.2100   -0.7270 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370    1.9950   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080    2.8880   -0.0860 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -0.0390   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330   -1.3270    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950   -1.9560    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730   -1.3250    1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260   -0.8830    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090   -0.6560   -1.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580    0.5670   -1.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680    1.1250   -2.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360   -1.6520   -1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -2.9090   -1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -3.8050   -2.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210   -5.0880   -1.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9150   -3.1880   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050   -2.1500    0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.4680    2.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560   -2.1500    2.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630    3.6190   -1.8630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0540    3.8440    1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860    4.5470   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970   -1.3490    0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4100    0.4060    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690   -0.4690    2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8770    0.4420   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -1.8430   -0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -2.9620    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1700   -1.8240    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130    2.1980   -2.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410    1.0210   -2.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    0.6940   -3.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680   -1.4590   -3.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180   -5.5900   -2.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920   -5.0100   -1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -5.6120   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -4.1520    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -2.7070    3.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -2.4690    2.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680   -1.0680    3.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  2   1  -1  34  -1
M  END
$$$$
RDB14
 OpenBabel09302314563D

 54 57  0  0  1  0  0  0  0  0999 V2000
    1.5450   -3.1880   -0.4780 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7810   -3.9740   -1.0460 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7050   -4.0180   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1200   -2.6660   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.8660    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210   -2.3890    1.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.4310    1.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -1.9500    1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7950   -3.4270    2.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980   -0.4220    1.0670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8310   -0.2230    2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480   -0.1300    0.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670    1.1160    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9560    1.2000   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2420   -0.2920   -1.0540 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380   -1.0240   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3070   -2.2020   -0.6740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7170    2.3540   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2890    3.4390    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1090    3.3620    1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330    2.2070    1.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.4700    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    0.5890   -0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120    1.3610   -1.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    1.4640   -2.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    1.5800   -3.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    1.9920   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140    2.7810   -1.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580    2.4280   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    1.8520    0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    2.4950    1.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710    2.0640    2.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    1.1200    1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700   -4.7470   -1.9780 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6130   -4.6970    0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -4.4930   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -1.0960    1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -2.7640    1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -2.3140    2.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6310    2.4310   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7850    4.2260    1.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040    2.1600    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990    0.0500   -1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1390    1.1780   -4.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    0.9870   -3.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970    2.6340   -3.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1070    2.5810   -1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540    1.3950   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040    3.1220   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    2.5280    2.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4410    0.9690    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660    2.4440    3.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    0.9990    2.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  2   1  -1  34  -1
M  END
$$$$
RDB15
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
    2.5450   -1.1130   -1.9150 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0450   -2.1980   -1.6440 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4360   -2.9170   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -2.2080    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480   -1.1420    0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610   -0.6990    1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    0.6110    2.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1430    1.1970    2.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270   -1.3010    2.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0840   -0.2730    1.0840 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3260   -0.0820    2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580   -0.9630    0.4980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5640   -0.4780    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4560   -1.2550   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6180   -2.5930   -1.0580 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -2.0860   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -2.7000   -0.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7970   -0.9270   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2610    0.1830    0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3860    0.9480    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    0.6290    1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.0370    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410    1.0280   -0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8420    2.2300   -1.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    3.4090   -0.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780    4.9060   -1.7990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0920    3.4540    0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    2.2430    1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230   -2.8670   -2.1700 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2700   -2.9040    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610   -3.9610   -0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140    2.2300    3.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590    1.1540    2.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.6820    3.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4880   -1.5140   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3100    0.4560    0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7670    1.8130    1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610    1.2330    1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.0730   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    2.2210   -2.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060    4.3950    0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160    2.2480    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDB16
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
   -4.0000    0.5250   -1.1150 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3090    1.5270   -0.4640 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3400    1.8320    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    1.5170    0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380    0.2920   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610   -0.8470   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2130   -1.6460   -1.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660   -2.5500   -1.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2090   -1.1980    0.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.0330   -0.5880 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2870   -0.2420   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    1.2560   -0.5580 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0290    1.2750   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6460    2.5010   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    3.6340    0.2280 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    2.4110    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    2.5930    0.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.6930   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520    1.6570   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440    0.4520   -1.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    0.2450   -1.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720   -1.1100    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140   -0.9960    1.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300    0.4810    2.3220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4940   -2.0540    2.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280   -3.2860    1.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -3.4020    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -4.9210   -0.5460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5820   -2.3520   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2360    2.3180   -0.5900 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7290    1.1790    1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    2.8780    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550   -2.9950   -2.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2030   -1.9800   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -3.2950   -0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4850    3.6300   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8160    1.7920   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -0.3420   -2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -0.6950   -1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320   -1.9320    3.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760   -4.1290    2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850   -2.4900   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 42  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
RDB17
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
   -3.8740    0.8140    0.9170 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1230    1.6420    0.0360 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1510    1.5580   -1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940    1.2400   -0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510    0.1210   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650   -0.9020    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810   -1.4110    1.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4110   -2.1060    1.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -1.3990   -0.5880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930   -0.1120    0.4990 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1940   -0.1720    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050    1.0300    0.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400    1.1000    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130    2.2360    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    3.2180   -0.9120 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740    2.0720   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100    2.2130   -1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    2.4600    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8180    1.5470    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1560    0.4280    1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160    0.1890    1.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -1.4000   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710   -2.5430    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060   -3.7400    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -3.7520   -1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -4.8830   -1.4550 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -2.6340   -1.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180   -1.4510   -1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9940    2.5000   -0.0430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2290    2.5090   -1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990    0.7630   -1.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820   -3.0190    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2910   -1.4450    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340   -2.3160    2.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6720    3.3290   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.7090    1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -0.2720    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3070   -0.6860    1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080   -2.5050    1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880   -4.6350    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780   -2.6810   -2.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920   -0.5620   -1.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDB18
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
   -0.5380   -2.7330   -1.9430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4690   -3.5190   -1.8190 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4940   -3.1740   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1960   -1.8430   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120   -1.4950    0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950   -2.4710    1.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -1.9380    2.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -2.8330    3.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -3.5770    2.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270   -0.0800    1.1200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8540    0.1790    2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130    0.8840    0.4270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    2.2710    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    2.9430   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4480    1.8010   -1.3250 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390    0.4120   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050   -0.8250   -0.7610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140    4.3250   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580    5.0490    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880    4.3890    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470    3.0000    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5870    0.0570    0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890    0.5870    1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770    0.7480    0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630    0.3620   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5570    0.5700   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    0.2670   -2.1980 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    1.8340   -0.8200 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860   -0.1280   -0.2590 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -0.2120   -1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870   -0.3630   -0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -4.5250   -2.4260 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3420   -3.9970    0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980   -3.2800   -1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -2.2380    3.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990   -3.7060    2.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -3.1470    4.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860    4.8500   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670    6.1340    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240    4.9730    1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620    2.4960    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    0.8480    2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    1.1670    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -0.5660   -2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160   -0.8620   -1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
RDB19
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
    3.2480   -1.5930   -0.4370 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0890   -2.5980   -1.1400 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7420   -3.4150   -0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800   -2.4890   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380   -1.6630    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -1.6950    1.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390   -0.4180    1.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580   -0.2880    2.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -2.6600    2.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2840   -0.5900    0.9270 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4780   -0.5220    2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -0.9900    0.2640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8130   -0.4530    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7570   -0.7280   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410   -1.6980   -1.7980 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720   -1.7580   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600   -2.4720   -1.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0580   -0.2710   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4380    0.4500    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5220    0.6910    1.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080    0.2420    1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    0.7640    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4960    1.9200    0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960    3.1720    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    3.2740   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    4.5090   -1.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890    5.6370   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860    4.8860   -0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    2.1110   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    0.8700   -0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960   -3.0850   -2.0130 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0300   -4.1120   -0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4960   -4.0110   -1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.7910    2.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700   -0.6860    1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.8210    3.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7840   -0.4650   -1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4540    0.8200    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8430    1.2400    2.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5090    0.4160    2.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340    1.8650    1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    4.0530    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040    5.3320   -1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360    6.4680   -1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    6.0100    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730    4.0340   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    5.1810    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480    5.7200   -1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080    2.1750   -1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -0.0310   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  CHG  2   1  -1  31  -1
M  END
$$$$
RDB20
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
   -1.0500   -2.5930   -2.0420 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1600   -3.0810   -1.8910 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0830   -2.3530   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -1.1260   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860   -0.9720    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5850   -1.9830    1.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190   -2.2960    2.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8880   -1.5240    2.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5970   -2.5560    2.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830    0.2120    1.0740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8480    0.5390    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    1.3510    0.2400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140    2.6430    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560    3.4690   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2110    2.5860   -1.8740 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.0950   -0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6400   -0.0190   -1.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540    4.7890   -0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920    5.2990    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220    4.4890    1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1260    3.1590    1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -0.1350    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850    0.2230    1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100   -0.0490    1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630   -0.6940    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0800   -1.0520   -0.4400 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2520   -1.0960   -0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320   -0.8130   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490   -4.0140   -2.4140 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1820   -3.1250    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0510   -2.2060   -1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -1.8080    3.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680   -1.8050    1.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700   -0.4520    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    5.4300   -1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200    6.3320    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    4.9050    1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    2.5370    2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    0.6980    2.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110    0.2370    1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540   -1.6360   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110   -1.1640   -1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDB21
 OpenBabel09302314563D

 41 44  0  0  1  0  0  0  0  0999 V2000
   -1.7730    0.5100    3.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570    0.4580    2.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230    1.0730    1.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    1.2310    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040   -0.2020    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -1.3670    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590   -1.9550    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230   -1.5230   -1.0870 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5840   -2.0900   -1.3150 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9070   -0.6610   -1.7140 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5060   -2.1410   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150   -1.7250   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.6310   -0.7490 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -1.3580   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -0.3050    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.8110    0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    0.8540    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2820   -0.1870    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050   -1.3010   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470   -0.5320    0.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410    0.4540    0.9250 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4790    0.8970    1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710    1.5450   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760    2.7060    0.1750 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700    3.7010   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680    3.5730   -1.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    2.3670   -2.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    1.3320   -1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3930    0.4900    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850    1.0900   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970    2.2510    0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600   -1.6260    1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550   -3.0570    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.6340    1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1300    1.7170    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610   -0.1270    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1610   -2.1020   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    4.6230   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    4.3960   -2.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460    2.2310   -3.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680    0.3770   -1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 28  2  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB22
 OpenBabel09302314563D

 39 42  0  0  1  0  0  0  0  0999 V2000
   -2.5740    1.9750    1.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    0.8370    1.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850    0.3030    2.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450   -0.9700    3.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3110    0.0100    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.0990    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -1.5400   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -1.0980   -1.5640 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8580   -0.3200   -2.1460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.6580   -1.6340   -1.8350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7160   -1.9480   -0.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270   -1.6350   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880   -2.6150   -0.9300 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640   -1.4870   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -0.4210    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.5810    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    0.5060    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1960   -0.5430    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430   -1.5480   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   -0.5340    0.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990    0.5420    0.8670 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3910    0.8280    1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410    1.7200   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790    2.9000    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    3.8250   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160    3.3420   -1.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070    1.7670   -1.6410 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -1.0480    4.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530   -1.0250    3.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540   -1.7510    2.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8080   -1.0800    0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -2.6300   -0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970    1.4060    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    1.2830    1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2790   -0.5760    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450   -2.3600   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3290    3.1350    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270    4.7950   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    3.8540   -2.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB23
 OpenBabel09302314563D

 46 50  0  0  1  0  0  0  0  0999 V2000
    1.5240    3.0830   -0.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    2.2620    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170    2.7660    1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    1.8900    2.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.8100   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.0660   -0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700    0.5510   -1.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    0.3140    0.2230 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2420    0.0530    1.2980 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9600    0.4500   -0.0810 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2050   -1.2990   -0.9900 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200   -1.8550   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -3.5890   -0.8390 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -3.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910   -2.0480    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -1.6760    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1270   -2.6390    1.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -3.9510    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120   -4.3280    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.2310    0.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    0.2500    0.2920 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0800    0.4850    1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930    0.8290   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590    0.8110   -1.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390    1.4280   -2.3490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    1.8820   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    1.5200   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200    1.8880    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    2.5650    1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770    2.8960    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1410    2.5660   -1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    2.5560    3.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    1.1260    2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1410    1.4230    2.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.6310   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2260    0.0220   -1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850   -0.6550    1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360   -2.3630    1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470   -4.6830    1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -5.3530   -0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510    0.4120   -2.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020    1.6000   -3.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.6590    2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010    2.8620    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5160    3.4280    0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7110    2.8290   -1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB24
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
    1.3410   -1.2880    2.9700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570   -1.6760    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -2.3940    1.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840   -2.5000    2.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -1.4910    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960   -2.0630   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100   -2.8280   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050   -1.8500   -1.5660 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6800   -0.6460   -1.4920 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.4760   -1.9780 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5050   -1.9690   -1.3890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -1.3430   -1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0770   -1.2190   -1.9870 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8680   -0.3070   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -0.1210    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4270    0.5850    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230    1.0920    1.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790    0.9080    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1520    0.2050   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -0.7240    0.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -0.4830    1.0930 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8860   -0.6180    2.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    0.9410    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640    1.2340    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360    2.5820   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460    2.7390   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130    4.0050   -1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    5.1220   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930    4.9680    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    3.7020    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3720   -3.0270    1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390   -3.0690    3.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9190   -1.5030    2.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4430   -3.4200   -1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -3.5090   -0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650    0.7320    2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0760    1.6450    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5830    1.3160    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8280    0.0710   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    1.6970    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    0.4260   -0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    1.8480   -1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    4.1240   -2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    6.1090   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    5.8360    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    3.5840    1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  2  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB25
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
    0.0520   -2.4430    2.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710   -2.4140    1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -3.2940    2.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410   -3.2130    1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.5330    0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670   -1.9770   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290   -3.3320   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350   -3.4310   -1.6810 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8680   -2.4620   -1.5220 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2870   -4.4930   -2.2720 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1110   -1.0920   -1.4330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090    0.1400   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060    1.3830   -2.2040 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    2.6140   -0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180    2.0730    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    2.8880    1.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    4.2310    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050    4.7610    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2130    3.9510   -1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740    0.7040    0.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860   -0.0690    1.1640 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7770    0.0930    2.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    0.4410    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180    0.0550    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    0.4600    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    1.6820    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    2.0260    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1040    1.1220    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3940    1.5750    0.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3760    0.7220   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6850   -0.1000   -0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3330   -0.4220   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8210   -3.8450    2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640   -3.6230    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6150   -2.1850    1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370   -3.6580   -1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850   -4.0960   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    2.4830    2.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940    4.8830    2.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680    5.8130    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6350    4.3770   -1.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820    1.1010    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.6670   -0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470    2.3720    1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5630    2.9700    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2980    1.3000   -0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    0.5530   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4340   -0.2230    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3820   -0.7940   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -1.3760   -0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  2  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB26
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -0.3290    3.4920    2.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090    2.3320    1.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    1.3660    2.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    1.8570    3.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    1.7270    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    2.4300   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380    3.6770   -0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550    3.3090   -1.7010 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0760    2.1640   -1.5710 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0030    4.2530   -2.3930 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2420    1.8930   -0.9450 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420    0.6920   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470   -0.1110   -1.4830 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7530   -1.5930   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -1.4500    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -2.5190    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210   -3.7110    1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -3.8470    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4510   -2.7850   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -0.1820    0.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340    0.2300    0.9550 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9280   -0.1130    2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   -0.3580    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560   -0.9700    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5880   -1.3790    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650   -0.5470   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3450   -0.9210   -1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9260   -2.1360   -1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0550   -2.5040   -1.6020 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3810   -2.9850   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990   -2.5900    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010    2.4110    4.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700    0.9470    3.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050    2.5010    2.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320    4.2310   -1.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260    4.3740    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3370   -2.4210    1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -4.5580    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680   -4.7890    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3110   -2.9080   -1.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090   -0.1450   -0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -1.1500    1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780    0.4110   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7940   -0.2780   -2.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8560   -3.9250    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -3.2310    1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB27
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -1.6370   -2.7010    2.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570   -2.4940    1.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -3.4860    0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -3.2100   -0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -1.2920    0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1130   -1.2780   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9400   -2.3990   -0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4090   -2.3050   -0.0830 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1950   -3.1360   -0.5060 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.4330   -1.4520    0.7830 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3700   -0.0790   -1.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8380    1.0180   -0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920    2.6270   -1.5930 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400    3.3980   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430    2.4550    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    2.8610    1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470    4.2060    1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330    5.1330    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    4.7320   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890    1.1590    0.2900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140   -0.0400    1.0080 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8420    0.0660    2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120   -0.2020    0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    0.2620   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.0260   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0610    1.0810   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380    0.8730   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9290   -0.3980   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100   -0.6880   -0.2710 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -1.4640    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220   -1.2450    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180   -3.2760   -1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -4.0110   -1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -2.2290   -1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690   -3.3870   -0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2570   -2.4050   -1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130    2.1420    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    4.5420    2.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470    6.1760    0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    5.4660   -1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -0.7930    1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    0.8500   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530    2.0690   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020    1.6990   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4970   -2.4560    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -2.0690    0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB28
 OpenBabel09302314563D

 48 51  0  0  1  0  0  0  0  0999 V2000
    1.5720    2.3350   -3.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    1.7470   -2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0550    1.0780   -2.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4510    0.2000   -1.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320    1.7390   -1.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3290    2.3790    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    2.7970    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220    1.6110    1.4010 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6370    0.5890    1.5090 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4520    1.8580    1.8080 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2990    2.6960    1.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950    2.2590    0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220    2.5940    1.8290 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380    1.5560    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040    1.0140   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2010    0.1150   -1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5370   -0.2130   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2700    0.3410    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6690    1.2260    1.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870    1.4750   -0.3100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    0.9940   -1.2670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6690    1.1680   -2.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.4760   -1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -0.9280    0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7580   -2.2880    0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -3.4510    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -3.3900   -0.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070   -2.3850   -0.4320 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5840   -4.3690   -1.1760 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.5770   -4.7200    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -4.8240    1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950   -3.6680    1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -2.4160    1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360    0.7080   -0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -0.6740   -1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280   -0.0780   -0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    3.6760    1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    3.0080   -0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270   -0.3470   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170   -0.9270   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3110    0.0670    0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2450    1.6380    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -1.1000   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -0.2490    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -5.6170    0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -5.8030    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490   -3.7530    1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -1.4940    1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 32  1  0  0  0  0
 31 46  1  0  0  0  0
 32 33  2  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB29
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
    0.2320   -3.4050    1.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520   -2.4370    1.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.2500    2.5490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590   -1.5440    2.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -1.3990    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -1.5910   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -2.8160   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720   -2.7970   -0.8280 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1610   -1.8930   -0.0500 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5240   -3.7110   -1.3110 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7110   -0.5210   -1.7920 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    0.6710   -1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    2.1910   -2.2660 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    3.1540   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    2.3360    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7940    2.8980    1.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950    4.2790    1.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    5.0890    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    4.5260   -0.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770    0.9860   -0.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760   -0.1010    0.7160 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5210    0.1130    1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060   -0.1760    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720    1.4280    0.7740 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -1.2350   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720   -1.3020   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -2.0630    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3700   -2.1360    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8970   -1.4580   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0590   -0.7070   -1.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6960   -0.6270   -1.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.2780    2.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560   -1.1270    3.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950   -0.7650    1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440   -2.9430   -2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910   -3.7300   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280    2.2760    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    4.7380    2.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100    6.1640    0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130    5.1670   -1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -2.1750   -0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5890   -2.5950    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0240   -2.7220    0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9590   -1.5150   -1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4700   -0.1810   -2.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0390   -0.0390   -2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDB30
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
    0.2400   -1.9020    3.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280   -2.0890    2.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -2.9110    1.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -3.0910    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -1.4510    1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -2.1080    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260   -3.5550    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9550   -3.9820   -1.2790 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0840   -5.1750   -1.5280 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3780   -3.0780   -1.8790 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5620   -1.3780   -0.3100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570   -0.0910   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150    0.9800   -0.9550 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730    2.4160   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990    2.0660    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720    3.0560    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380    4.3860    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    4.7310    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3230    3.7420   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6080    0.6900    0.4450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    0.0480    1.0100 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2900    0.4320    2.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    0.3940    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930    0.2130   -1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330    0.8090    0.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.1200    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480    0.0990   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    0.3980   -1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    1.7150   -1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    2.7340   -0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    2.4400    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -4.0250   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7470   -3.1770    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180   -2.2630   -0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650   -3.9180    0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070   -4.1430    0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620    2.7920    1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050    5.1730    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590    5.7760   -0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2210    4.0250   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0390    0.9710   -1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   -0.7750   -1.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520    0.2560   -1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.9220    1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850   -0.9300   -0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7410   -0.3960   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460    1.9480   -1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    3.7610   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    3.2350    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDT01
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -1.2980    3.7880    0.4390 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460    2.1570    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200    1.1630   -0.0420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -0.1860    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -1.1630   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720   -0.7290   -0.6770 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9700    0.4740   -0.9030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5710   -1.6550   -0.6020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0930   -0.5510    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -1.9050    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.7770   -0.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -4.1290    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   -2.2910    1.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910    0.4650    1.1080 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2000    0.1940    2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1110    0.4720    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570   -0.2120    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760   -0.2490   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    0.3980   -1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    1.0730   -1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810    1.1080   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.8150    1.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5790    1.4190   -0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700   -2.0930    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410   -1.4860   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -4.6340   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140   -4.5160    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -4.2100   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660   -0.7450    1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2640   -0.7880    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240    0.3690   -2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    1.5690   -2.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    1.6230   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    2.5450    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT02
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    1.5690    3.6310    0.0400 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340    2.0190   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    0.9910   -0.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010   -0.3340    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.3010    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300   -1.1540   -0.1330 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3900    0.0210   -0.2930 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.2070   -0.3630 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3110   -0.6480   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590   -1.9720   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5910   -2.3290    1.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560   -1.3510    2.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -2.8080   -0.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    0.3430   -1.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4260    0.2050   -2.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.1430   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440   -0.8440   -1.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0810   -1.0940   -1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230   -0.3540   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360    0.6510    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010    0.8820    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810    1.8650    0.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220    1.7350   -0.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    1.1680   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610   -2.3480    0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840   -1.1590    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -1.1990    2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.8050    3.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   -0.4070    1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460   -1.4510   -2.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6150   -1.8810   -1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7620   -0.5590    0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5270    1.2350    1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    2.3550    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730    2.4050   -0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT03
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    0.2260    4.2360    0.3700 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710    2.5590    0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    2.0280   -0.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620    0.6510   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5090    0.3080   -1.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7520   -0.1410   -0.3310 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4040   -0.8560    0.6000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8310    0.2930   -0.7030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6320   -0.1990    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800   -1.6070    0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010   -2.1850   -0.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0670   -3.4310   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890   -2.2590    1.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180    0.2570    1.1310 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3510   -0.0910    2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8080   -0.3470    0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380   -1.5680    1.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3930   -2.1770    0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1460   -1.5770   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940   -0.3630   -0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670    0.2950   -1.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    0.2680   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    1.7300    1.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    2.6700   -1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570   -0.5870   -1.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    1.1020   -1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910   -3.6810   -1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -3.2890    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -4.1770   -0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440   -2.0590    1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7120   -3.1320    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0460   -2.0430   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -0.2070   -2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    1.2060   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.1070    1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT04
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
   -1.5000    3.8110    0.4260 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040    2.1670    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610    1.1980   -0.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760   -0.1600    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170   -1.1060   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -0.6310   -0.8990 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1570    0.5790   -1.1280 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8340   -1.5350   -0.8880 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4340   -0.5610    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.9290    0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -2.7790   -0.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -4.1440    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840   -2.3400    1.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    0.4220    1.2560 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7270    0.1380    2.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320    0.3990    0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170   -0.3050    0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170   -0.3730    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1940    0.2770   -0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    0.2670   -1.6920 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170    0.9770   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300    1.0250   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220    1.7900    1.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780    1.4830   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6020   -2.0430   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -1.4250   -1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390   -4.6280   -0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560   -4.5300    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -4.2510   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8190   -0.8310    1.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600   -0.9230    0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450   -0.2640   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170    1.4590   -2.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670    1.5510   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5710    2.5010    1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT05
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
    1.3670    3.7430   -0.7440 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350    2.0780   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410    1.1760   -0.1040 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010   -0.1900   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600   -1.0650    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560   -0.4840    1.0820 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0150    0.7430    1.2480 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8140   -1.3400    1.2680 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4900   -0.6800   -0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -2.0680   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150   -2.8930   -0.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -4.2730   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -2.5260   -1.6240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190    0.2350   -1.3880 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7440   -0.1250   -2.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920    0.2310   -0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890   -0.5130   -0.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0600   -0.5670   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1040    0.1370    0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2110    0.1370    1.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280    0.8840    1.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760    0.9040    0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700    1.5780    1.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.6110   -1.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7050    1.5360    0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8020   -1.9590   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990   -1.4680    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700   -4.7280    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -4.6470   -1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570   -4.4320    0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -1.0850   -1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9040   -1.1520   -0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9290   -0.4270    1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930    1.4080    2.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    2.0430    1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    2.2790   -1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT06
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
    1.7650    3.7070   -0.2040 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    2.0590   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760    1.0840    0.2050 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.2730    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -1.1990    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   -0.8950    0.5110 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6020    0.3080    0.5770 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0020   -1.8800    0.3060 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7160   -0.6590   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800   -2.0460   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -2.7630    0.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960   -2.0720    1.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700   -2.6430   -1.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450    0.3090   -1.2800 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1080    0.0520   -2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    0.2030   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -0.6870   -1.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490   -0.8570   -0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1880   -0.1220    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4540   -0.2070    0.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3290    0.7740    0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7130    1.5060    1.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180    0.9370    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3400    1.6970   -1.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680    1.3180    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -2.2550    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980   -1.1150    1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530   -2.7450    2.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -1.1020    1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670   -1.9550    2.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -1.2810   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4090   -1.5580   -1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9810   -0.8970    0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6540    1.3150    2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    1.6260    0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710    2.4160   -1.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT07
 OpenBabel09302314563D

 39 40  0  0  1  0  0  0  0  0999 V2000
    1.3040    4.3230    0.6930 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    2.6920    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460    1.7290    0.8230 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    0.3600    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330   -0.5000    1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -1.2130    0.0970 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2760   -1.5980   -0.9240 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9930   -1.2830    0.4900 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9880   -0.0250   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -1.3930   -1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280   -2.2930    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270   -3.6470   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -1.7200   -2.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    0.9220   -1.1410 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1690    0.8410   -2.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110    0.6130   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370    1.1350   -1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7700    0.8520   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0570    0.0250   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3300   -0.3050    0.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0180   -0.5230    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -1.3360    1.6250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3870   -2.0490    2.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -0.2040    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    2.3290   -0.7640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720    2.0280    1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530   -1.3590    1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640   -0.0010    1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470   -4.1820    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900   -3.7380   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -3.9780   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2140    1.7550   -2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710    1.2650   -1.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9880    0.1150   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -2.7300    2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -1.3650    2.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -2.6150    1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830   -0.6040    0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230    3.0230   -1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT08
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -1.1250    3.9720   -0.6040 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4300    2.4090   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    2.1800    0.1560 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    0.8960    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110    0.8650    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700    0.3600    0.1880 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4840   -0.5080   -0.6320 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8240    0.9070    0.4830 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7140   -0.1490   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -1.5020   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110   -1.8880    0.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340   -3.0490    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   -2.2800   -1.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090   -0.0050   -1.2160 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2520   -0.3430   -2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -0.8660   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280   -2.1380   -1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8110   -2.9780   -0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940   -2.5460    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080   -1.2770    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -0.4500    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.8110    0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    1.2850    1.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9490    1.4060   -1.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    2.9750    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740    0.1270    1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    1.8230    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520   -3.1330    1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3930   -2.8800    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -3.9180    0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910   -2.4980   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -3.9710   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3540   -3.2020    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0160   -0.9520    1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900    2.2930    2.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5860    0.6670    2.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    1.3540    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    1.5360   -1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT09
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -0.0170    4.2170    0.5890 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210    2.5530    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710    2.0850   -0.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7190    0.7130   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7710    0.4200   -1.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -0.2330   -0.6060 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7720   -0.9680    0.3350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.1260    0.0880   -1.1100 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0880   -0.1730    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.5960    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050   -2.1360   -0.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300   -3.4140   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840   -2.2850    1.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520    0.2340    1.4260 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4170   -0.0680    2.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550   -0.4710    1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.6230    1.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -2.3390    1.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -1.9250    0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -0.7880   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310   -0.3800   -1.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.9950   -2.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100   -0.0410    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780    1.0580   -0.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590    1.8850   -1.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410    1.7010    1.4760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8870    2.7570   -0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860   -0.3520   -2.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1410    1.2810   -1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -3.6240   -1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -3.3420   -0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5860   -4.1500   -0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -1.9870    2.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -3.2300    2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -2.4780    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -0.5290   -3.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.7790   -2.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9870   -2.0750   -2.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380    2.8520   -1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860    1.5030   -2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660    1.9770   -0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    2.0160    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT10
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    1.0030    4.2130   -0.4880 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0650    2.5030   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    1.8360    0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030    0.4200    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -0.0970    1.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870   -1.0180    0.4400 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5810   -1.6770   -0.4630 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2330   -0.9340    0.8620 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.3040   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450   -1.7670   -0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2870   -2.3290    0.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -3.7160    0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760   -2.4300   -1.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.3210   -1.3270 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3650   -0.0560   -2.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560   -0.0580   -0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900   -1.1210   -1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650   -1.5320   -1.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8040   -0.8640   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0470   -1.3540    0.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7480   -0.7910    1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040    0.1930    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    0.5760    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140    1.5840    0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7680    2.2520    1.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890    1.7970   -1.3890 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420    2.3780    0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -0.7870    2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    0.6630    1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670   -3.9510    1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -3.8670    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760   -4.2870    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -1.6590   -2.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6530   -2.3610   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6780   -1.3720    1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9600    0.2680    1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1950   -0.9390    2.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7030    0.6920    1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    2.9900    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010    1.5600    2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6980    2.7600    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    2.2800   -1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT11
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    2.9890    3.5060   -0.6640 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    2.0340   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180    0.8550   -0.4190 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430   -0.3180    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -1.3420    0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -2.7190   -0.2730 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7070   -3.0310   -0.5140 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9420   -3.2510   -0.5230 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7940   -0.3810   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180   -1.5550    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -1.8730    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -3.1420    1.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -2.0910   -0.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    0.6880   -0.9320 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0470    0.3840   -2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540    0.8680   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    0.0150   -0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6300    0.0800   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390   -0.7550   -0.8300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2270   -1.9880   -1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110    1.0450    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470    1.9260    0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7350    1.8190    0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    2.7600    0.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910    2.3190    2.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    1.9810   -0.8880 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380    0.8610   -0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020   -1.6440    1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.0920    0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400   -3.2640    2.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -3.9170    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780   -3.1340    1.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0610   -0.7320   -1.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1260   -2.6060   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -2.4440   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9540   -1.8260   -2.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0340    1.0830    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2980    2.6910    1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    3.0900    2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    1.3330    1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7520    2.2900    2.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.8100   -0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT12
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -1.6100    3.8310    0.5880 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060    2.1650    0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.2670   -0.0980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330   -0.1080   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7420   -0.9770   -0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320   -0.3950   -1.3050 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1710    0.8300   -1.5020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9980   -1.2430   -1.4760 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7980   -0.5990    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720   -1.9950    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920   -2.7940   -0.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060   -4.1810    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -2.4710    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    0.3070    1.4550 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2480   -0.0310    2.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    0.2540    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -0.5260    1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -0.6190    0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    0.0790   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   -0.0830   -0.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5530    0.5360   -2.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9910    0.8470   -1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    0.9220   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    1.6990    1.4900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590    1.6250   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880   -1.9000   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -1.3330   -1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -4.6140   -0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -4.5680    1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740   -4.3500    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210   -1.0880    2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -1.2230    1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950    0.2370   -2.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4760    1.6250   -2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    0.1470   -2.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    1.3740   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490    1.5060   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    2.3570    2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT13
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
   -1.5290    4.2710    0.4770 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980    2.5670    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760    1.8080   -0.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770    0.3970   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -0.2260   -1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   -1.3000   -0.3110 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4070   -1.9120    0.5280 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2390   -1.3640   -0.6460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1800   -0.2340    0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280   -1.6900    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -2.2200   -0.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040   -3.6340   -0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6570   -2.3620    1.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760    0.4920    1.1750 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2410    0.0890    2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    0.3150    0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820   -0.0830    1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890   -0.1120    2.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9760   -1.4380    3.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550   -0.3490    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560   -0.1860   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -0.4770   -0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -0.3660   -2.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410    0.2420   -1.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820    0.4950   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160    0.9480   -1.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.0210   -2.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660    1.9470    1.2580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610    2.2740   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7860   -0.8360   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280    0.4660   -1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930   -3.8460   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -3.9140   -0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960   -4.1200   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190   -1.2650    4.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8910   -2.0050    3.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050   -1.9440    2.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600   -0.6600    1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3790   -0.6660   -2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2080    0.6670   -2.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7090   -1.0550   -2.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    0.3730   -2.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870    1.3570   -3.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280    0.0360   -3.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700    1.7600   -3.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330    2.5010    1.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT14
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
    1.4590    4.3240    0.9670 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980    2.7200    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    1.8150    0.9350 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910    0.4790    0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530   -0.3010    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   -0.7960   -0.0280 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1010   -1.1370   -1.0850 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7800   -0.7810    0.3640 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6270    0.0530   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -1.2660   -1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -2.2500   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800   -3.5250   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450   -1.5220   -2.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    0.9140   -1.0460 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6160    0.9030   -2.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460    0.4280   -0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610    0.9400   -1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2450    0.5120   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2210    1.1370   -1.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5480    0.6390   -1.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -0.4380    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6530   -0.9240    0.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0770   -0.5480    1.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550   -0.9680    0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5110   -1.9080    1.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720   -2.5480    2.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860   -0.5210    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    2.3220   -0.6040 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780    2.1530    1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.2490    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    0.2190    1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3070   -4.1300    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280   -3.4330   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -3.9150   -1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640    1.6560   -2.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0570    1.2130   -2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790    0.8580   -0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5870   -0.4330   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1070   -0.9120    1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0340    0.5360    1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4650   -1.0520    2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300   -3.3240    2.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.8420    2.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410   -3.0000    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980   -0.9180    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330    2.9660   -0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT15
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -1.7510    3.8130    0.5010 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    2.1660    0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0830    1.2200   -0.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330   -0.1430   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7350   -1.0660   -0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1630   -0.5470   -1.2050 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2470    0.6680   -1.4440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0060   -1.4280   -1.3090 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7580   -0.5750    0.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3770   -1.9530    0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130   -2.8020    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -4.1730    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610   -2.3730    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.3860    1.3940 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3160    0.0800    2.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    0.3580    0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620   -0.3840    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950   -0.4570    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450    0.2250   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    0.1480   -1.4100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    0.9590   -1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960    1.0180   -0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600    1.7580    1.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9390    1.5320   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   -1.9810   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -1.4300   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1240   -4.6540   -0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -4.5390    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5050   -4.3100    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040   -0.9340    2.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070   -1.0390    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    1.4730   -2.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700    1.5750   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890    2.4490    1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT16
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -2.3200    3.3360   -1.5120 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.8270   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640    0.7890   -0.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -0.4850   -0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460   -1.4530    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350   -0.8560    1.4510 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6260   -1.6140    2.4030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9850    0.2860    1.2740 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5610   -0.7600   -0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -2.0620   -0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340   -3.0880   -0.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -4.3920   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -2.2910   -1.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790    0.3380   -1.2790 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8770    0.0560   -2.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    0.5160   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    0.2330   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7650    0.3700    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    0.0350   -0.0520 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5080    0.7610    1.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870    1.0180    2.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830    0.8880    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100    1.1770    1.6120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210    1.6130   -1.5130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2960    1.0170   -0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2190   -2.3560    0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5340   -1.8110   -0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280   -5.0360   -0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070   -4.4900   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -4.5940   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100   -0.1270   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    0.8550    2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    1.3090    3.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370    2.3730   -1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 24 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT17
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -1.4660    3.8090    0.5110 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    2.1640    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8270    1.2080   -0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -0.1520    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030   -1.0860   -0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9670   -0.5820   -0.9790 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0830    0.6310   -1.2130 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8070   -1.4720   -1.0180 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4240   -0.5710    0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -1.9440    0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120   -2.8020   -0.0070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530   -4.1700    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -2.3540    1.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530    0.4010    1.2730 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7730    0.1020    2.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380    0.3820    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9290   -0.3400    0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140   -0.4050    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660    0.2680   -1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930    0.2200   -1.7020 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0900    0.9840   -1.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150    1.0290   -0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    1.7690    1.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290    1.5110   -0.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6420   -2.0000   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930   -1.4500   -1.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590   -4.6590   -0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080   -4.5330    1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170   -4.3000   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -0.8820    1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9630   -0.9700    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570    1.4880   -2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480    1.5690   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5900    2.4680    1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT18
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -2.2770    3.8130    0.5120 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140    2.1660    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    1.2300   -0.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280   -0.1350   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720   -1.0470   -0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5430   -0.5090   -1.4590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5860    0.7060   -1.7070 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3840   -1.3780   -1.6410 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3210   -0.5800    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -1.9620    1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520   -2.8060    0.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -4.1820    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -2.3890    1.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370    0.3720    1.5140 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3730    0.0540    2.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520    0.3420    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -0.4240    1.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -0.4960    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880    0.2040   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    0.1120   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8280    0.5160    0.0230 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2380   -1.1270   -1.1510 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0990    0.8220   -1.9210 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950    0.9590   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.0240   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.7440    1.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3550    1.5540   -0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4350   -1.9560   -0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6130   -1.4220   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6380   -4.6560   -0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -4.5410    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600   -4.3320    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220   -0.9920    2.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850   -1.1020    1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870    1.4990   -1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400    1.6030   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730    2.4250    2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT19
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.9460    3.8230    0.5300 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390    2.1570    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660    1.2490   -0.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -0.1240   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.0000   -0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4940   -0.4560   -1.2020 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5790    0.7670   -1.3880 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3510   -1.3260   -1.3030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.6010    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400   -1.9930    0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -2.7650   -0.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -4.1460   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -2.4830    1.7620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680    0.3130    1.4360 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0990   -0.0220    2.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.2660    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -0.5020    1.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740   -0.5780    0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560    0.1110   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0050   -0.0650   -1.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430   -0.3680   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590    0.9490   -2.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330    0.8690   -0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    0.9330   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650    1.7030    1.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2180    1.5910   -0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2130   -1.9680   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -1.2690   -1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030   -4.5600   -1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840   -4.5850    0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380   -4.2770   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940   -1.0700    2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2270   -1.1950    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9970   -1.3720    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    0.3610    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790   -0.4100   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.8760   -2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3570    0.7370   -2.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3510    1.9800   -1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    1.4010   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    1.5090   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    2.3720    1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT20
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -2.3050    3.8190    0.4690 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550    2.1680    0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080    1.2310   -0.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790   -0.1350   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   -1.0470   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6120   -0.5160   -1.4320 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6690    0.7000   -1.6730 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.4530   -1.3900   -1.5990 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3720   -0.5780    0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -1.9600    0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730   -2.7970    0.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -4.1730    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -2.3920    1.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    0.3720    1.5080 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4430    0.0610    2.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    0.3350    0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8940   -0.4220    1.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.5030    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    0.1830   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    0.0850   -0.9250 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4740    0.9330   -0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    1.0020   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140    1.7490    1.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4130    1.5520   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670   -1.9680   -0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770   -1.4020   -1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -4.6420   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -4.5440    1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0740   -4.3150    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -0.9780    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -1.1010    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    1.4560   -1.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    1.5730   -0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010    2.4340    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
RDT21
 OpenBabel09302314563D

 33 34  0  0  1  0  0  0  0  0999 V2000
    0.1700   -2.0280   -2.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -1.8270   -1.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -2.9480   -0.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290   -2.8290    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190   -0.5050   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290    0.4400   -1.2140 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4350    0.2710   -2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470    0.2370   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    0.0590   -0.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -0.1380    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8790   -0.1520    1.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    0.0510    2.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740    0.2500    1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4810    1.8440   -1.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990   -0.0890   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -0.9280   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320   -0.8400    1.2360 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1560    0.3270    1.6350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1850   -1.9110    1.8020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5570    1.2540   -0.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6580    2.2260   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    3.8710   -0.2490 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.7890    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0770   -2.7220    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -2.0010    0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1820   -0.2870    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6670   -0.3150    2.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040    0.0530    3.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    0.4130    1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    2.5420   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430   -1.9850   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670   -0.5760   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640    1.4650    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 21  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDT22
 OpenBabel09302314563D

 31 32  0  0  1  0  0  0  0  0999 V2000
    0.5090   -2.4360   -2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -1.9190   -1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -2.6750   -0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550   -4.0790   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710   -0.5060   -0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    0.2190   -1.0250 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5210   -0.1100   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330   -0.0700    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610   -0.4440    1.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -0.6320    2.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810   -0.3980    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6770    0.0540    0.0390 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    1.6800   -1.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050    0.1430   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300   -0.4710   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280   -0.0340    1.1150 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0040   -0.9290    1.7110 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3220    1.1760    1.3630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3700    1.5280   -0.2730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800    2.2960   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210    3.9890   -0.5220 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -4.4580    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660   -4.4480   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -4.3290   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330   -0.5970    1.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -0.9260    3.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -0.4650    2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    2.2370   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110   -1.5740   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470   -0.1550   -1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    1.9610    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 20  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
RDT23
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
    0.2050   -2.3720    2.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -1.9590    1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -2.8040    0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160   -4.1690    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730   -0.5830    1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    0.3860    1.7650 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4830    0.1340    2.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210    0.3170    1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    0.1960    1.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570    0.1460    0.6580 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440    0.2200   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.3320   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9950    0.4090   -1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640    0.3810   -2.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580    0.2780   -2.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200    0.1960   -1.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910    1.7760    1.7290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   -0.1620    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -1.0130   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -0.6760   -1.7730 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7640    0.5310   -2.0320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1520   -1.6280   -2.4910 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9600    1.2130    0.2750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980    2.1720    0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5720    3.8240    0.7670 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650   -4.6330   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320   -4.5770    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670   -4.2710    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    0.1260    2.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    0.0270    0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    0.4810   -1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180    0.4330   -3.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    0.2610   -3.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    0.1150   -2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100    2.4760    2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7560   -0.8540    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -2.0930   -0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5780    1.4870   -0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDT24
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    1.1650   -2.2570   -2.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940   -1.9020   -1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5010   -2.8650   -0.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680   -2.5290    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.5410   -1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    0.4720   -1.7650 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3680    0.3830   -2.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    0.1850   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910    0.7070   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510    0.3660    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9170    1.3780    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2170    1.0650    0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6570   -0.2580    0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7920   -1.2690    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930   -0.9600    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980    1.8520   -1.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770   -0.1900   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510   -1.1190    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410   -0.9710    1.9470 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2950    0.1990    2.3240 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9900   -2.0110    2.5690 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3270    1.1510    0.1320 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820    2.1570   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    3.7820    0.0200 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -3.3340    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180   -1.5530    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   -2.5620    1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360   -0.5310   -1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    1.4200    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    2.4110    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8900    1.8530    1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6700   -0.5000    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310   -2.3020    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8140   -1.7540   -0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    2.5920   -1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -0.8920    0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710   -2.1740    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    1.3260    1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 23  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDT25
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.5740    2.6830   -1.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330    2.0490   -1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620    2.6500   -0.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210    4.0490   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790    0.6450   -0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -0.0890   -1.8560 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4470    0.3090   -2.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    0.1440   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -0.6850   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450   -0.3780   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450    0.0340   -1.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650    0.3210   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0720    0.1980    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3900    0.5050    0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800    0.4630    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910   -0.2050    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740   -0.4960    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360   -1.5260   -1.8560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -0.0150    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    0.6410    1.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5700   -0.0270    2.9030 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5390   -1.2660    2.8950 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3700    0.7660    3.8110 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4110   -1.4070    0.3320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410   -2.1610   -0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560   -3.8420   -0.7970 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9630    4.3160    0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5860    4.2560   -1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710    4.5650   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240    1.1100   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -1.6330   -0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060    0.1280   -2.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740    0.6380   -1.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260    0.7680    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8230   -0.5530    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3460    1.1770    2.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100   -0.2930    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -0.8060    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -2.0600   -2.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0920    0.6330    1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910    1.7070    1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6230   -1.8950    1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  22  -1  23  -1
M  END
$$$$
RDT26
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    1.6970   -3.1840   -0.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960   -2.2010   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200   -2.3500   -1.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -3.6860   -1.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -0.8090   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370    0.1600   -1.4680 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3970   -0.2670   -2.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    0.4800   -0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190    0.0130   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0570    0.2630   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060   -0.7610   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2030   -0.5520    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4230    0.7030    0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5660    0.9170    1.6350 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    1.7430    0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080    1.5090    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    1.4230   -1.7030 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -0.3680    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550   -1.2040    1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -0.4900    2.4690 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9030    0.6920    2.3680 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3930   -1.2000    3.4500 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9210    0.9550    0.0100 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    1.8290   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    3.3630   -1.1770 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -3.5760   -2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -4.1300   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180   -4.2800   -2.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800    1.0760    0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210   -0.6230   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980   -1.7350   -0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9390   -1.3460    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6970    2.7090    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    2.3030    0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    2.0390   -2.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550   -1.4700    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520   -2.1680    1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    1.3150    0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDT27
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -1.9920   -2.0740    1.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700   -1.6390    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -2.4320   -0.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450   -3.8180   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140   -0.2220    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280    0.6790    1.2890 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9340    0.4710    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    0.3580    1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860    1.0460    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    0.6570    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.6410    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    1.2880    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390   -0.0550   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680   -0.5440   -0.3470 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7720   -1.0520   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370   -0.6880    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030    2.1080    1.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600    0.2460   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310   -0.5430   -1.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1620   -1.4260   -0.5180 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2500   -1.5890   -1.0480 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.6800   -1.8080    0.5430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3580    1.6490   -0.7600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800    2.5580    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170    4.2290   -0.2880 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -4.2560   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6080   -4.2120    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -3.9540    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390   -0.5420    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3810    1.9360   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070    2.6890    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    2.0590    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0370   -2.1000   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6580   -1.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3790    2.7720    1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6030   -1.3090   -2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.0280   -2.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280    2.0000   -1.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDT28
 OpenBabel09302314563D

 40 41  0  0  1  0  0  0  0  0999 V2000
    2.2120   -0.7220   -3.4770 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -0.9630   -2.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -2.2800   -2.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930   -2.6990   -0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.0390   -1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170    0.9720   -1.4810 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5240    1.2480   -2.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200    0.2180   -1.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450    0.5120    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190   -0.3610    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -0.1580    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730    0.9590   -0.6270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3710    1.8500   -0.8490 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.3130    0.9620   -1.0750 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.7590   -1.0230    0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3940   -2.0930    1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490   -2.3010    1.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710   -1.4430    1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060    2.2240   -0.7260 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    0.1760   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.7290    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4690   -1.2780    1.6320 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3080   -0.3690    2.4570 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4630   -2.4930    1.7530 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4380    1.2570    0.6730 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790    2.2950    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    3.6800    1.3720 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490   -3.5620   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7580   -1.9290   -0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980   -3.0080   -0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360   -0.6480   -1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    1.3960    0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8090   -0.8570    0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1550   -2.7690    1.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -3.1410    2.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.6010    1.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960    2.9980   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910   -0.2210    0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210   -1.5820   -0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    1.1510    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 26  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
RDT29
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -1.3100   -3.3670   -0.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400   -2.3400   -1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -2.4000   -1.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610   -3.7020   -1.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -0.9730   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510    0.0740   -1.5590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0380   -0.2820   -2.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820    0.3600   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5480    1.3860    0.8310 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0980   -0.0960   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.0700   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3420    0.8760   -0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    1.0150    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    0.3480    1.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -0.4580    1.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3820   -0.5990    1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    1.3220   -1.7560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2900   -0.6260   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540   -1.5630    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930   -0.9420    2.0740 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0820    0.1930    1.9610 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4950   -1.6730    3.0460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7780    0.6710   -0.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2360    1.6290   -1.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    3.1340   -1.2770 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -3.5180   -2.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -4.3010   -2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350   -4.1870   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -0.6790   -1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2650    1.4020   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2990    1.6490   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4650    0.4600    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950   -0.9730    2.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5530   -1.2230    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    2.0200   -2.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720   -2.4700    0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590   -1.9340    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5570    0.9500    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDT30
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    1.2440   -3.0390   -1.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -1.9910   -1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860   -1.9300   -1.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790   -3.1600   -1.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290   -0.6850   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    0.4830   -1.3270 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0760    0.3130   -2.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840    0.6520   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    1.0330    1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200    0.4100   -0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    0.4360   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860   -0.4780    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6510   -0.4710    1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6640    0.4460    1.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5090    1.3580    0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3470    1.3530   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660   -0.4910   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -1.5390    0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370   -1.1340    2.0840 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0910   -1.9920    2.9140 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8110    0.0060    2.2040 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7840    0.7980   -0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470    1.8880   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960    1.7260   -1.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    3.3980   -0.6520 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -2.8890   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -3.8910   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050   -3.5450   -2.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510    1.1460    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080    1.9840    1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800    0.2700    1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2970    0.1270   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890   -1.1930    1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7700   -1.1810    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5700    0.4530    2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2960    2.0760    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2240    2.0660   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -1.7230    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120   -2.5170    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410    0.9450    0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    2.5140   -1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDU01
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -0.9240   -2.3510   -1.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820   -1.7980   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -2.5340    0.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850   -3.9360    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940   -0.3850   -0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260    0.4440   -1.2010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2430    0.0150   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010    0.4080   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1120    1.1940    0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890    1.1240    1.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2540    0.2640    1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2360   -0.5330    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1610   -0.4620   -0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    0.1940   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320   -0.5940    0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410    0.0950    0.7050 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8390    1.3300    0.8370 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7820   -0.6890    0.7500 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4450    1.5660   -0.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340    2.4120   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040    1.8280   -1.4690 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780    3.6200   -0.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -4.3110    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580   -4.3360   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -4.1610    0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2720    1.8540    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950    1.7370    2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0920    0.2090    2.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0560   -1.2160    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330   -1.1090   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -1.5110   -0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410   -0.9630    1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300    2.0130    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2220    2.4560   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 34  1  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
RDU02
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    0.1500   -2.2280    1.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110   -1.7830    0.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -2.6700   -0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670   -2.8630   -1.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960   -0.4480   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430    0.1610   -0.9020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8720   -0.5370   -1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180    0.4250   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020   -0.4590   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640   -1.5990   -0.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2170   -0.1970    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3290    0.9550    1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440    1.8230    1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480    1.5540    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190    0.2420    0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -0.3090    1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300   -0.0420    0.6230 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2210    1.1440    0.3090 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7630   -1.0160    0.5540 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7060    1.5500   -0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    2.1600   -0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    1.3990   -1.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430    3.3100   -1.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930   -3.5150   -1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -1.9150   -2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -3.3640   -2.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620   -2.0380   -0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0380   -0.8980    0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2630    1.1740    1.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    2.7070    1.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2020    2.2370    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -1.3920    1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980    0.1710    2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780    1.9750    0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8490    1.9150   -2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU03
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    0.4970   -1.8480    2.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -1.5340    1.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.4990    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380   -2.1660   -0.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -0.2250    1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    0.9000    1.2430 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9050    0.8060    2.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100    0.7850    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -0.0520    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.2030   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740   -1.0080   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    0.4610   -1.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    1.2860   -1.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730    1.4460   -0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7650   -0.0080    0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890   -1.0600    0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -0.9430   -1.0260 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4920   -1.9720   -1.6850 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9030    0.1930   -1.2750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2040    1.2840    0.3210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870    2.3990    0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    2.2140    1.1900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440    3.5190    0.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080   -2.3000   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620   -2.9050   -1.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870   -1.1500   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010   -0.5980    1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -1.5360    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5090    0.3190   -2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    1.8050   -2.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    2.0770   -1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160   -0.9510    1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -2.0800    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0960    1.3930   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    3.0210    1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU04
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    0.5350    2.4930   -1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    1.8850   -0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    2.5760   -0.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1390    3.9870   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380    0.4600   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920   -0.2810   -1.4510 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8710    0.2420   -2.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -0.2980   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320    0.6060   -0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400    0.6360    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9710   -0.2530    1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240   -0.2980    2.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   -1.1550    1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420   -1.1620    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -0.2130   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770    0.4790    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640   -0.3550    1.3260 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7470   -1.5880    1.1890 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5240    0.3410    1.9920 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6880   -1.5780   -0.3590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -2.3270   -1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -1.6480   -1.8330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -3.5310   -1.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830    4.3140    0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1810    4.2540    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1990    4.3940   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7650    1.3130   -1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440    1.3390   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6970    0.3880    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -1.8180    2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0090   -1.8410    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370    1.1680    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2620    1.1320   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -2.1080    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110   -2.2140   -2.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU05
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
    0.6190   -3.0090   -0.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510   -2.0560   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -2.2600    0.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390   -3.6090    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150   -0.6640   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -0.3900   -1.7050 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1960   -1.2230   -2.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3880   -0.3190   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    0.7510   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    1.8380   -0.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440    0.7330    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900   -0.3700    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6930   -0.4670    1.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3800   -1.4430   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -1.4030   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6350    0.4020   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300    0.3650    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    1.3850    2.1690 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8980    1.2240    3.3530 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0040    2.3040    1.6160 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6530   -0.7320 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260    1.9020   -1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430    0.8360   -2.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    2.9910   -2.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -3.5340    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280   -4.2030   -0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -4.0280    1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    2.0180    0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070    1.5580    1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7580    0.2920    2.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -2.2840   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -2.2570   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.6230    1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970   -0.6350    1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870    2.4800   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5880    1.1010   -3.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 36  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDU06
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
   -0.4680   -2.4450   -1.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -1.8840   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120   -2.6240   -0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780   -4.0240   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -0.4720   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3270    0.3330   -1.4810 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6590   -0.2000   -2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5150    0.4810   -0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890   -0.3980   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650   -0.3020    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7620   -1.1170    0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6880    0.6680    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7310    0.8100    2.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    1.5380    1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240    1.4310    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440    0.1410   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8480   -0.5960    0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    0.1980    1.4380 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0120    1.4180    1.2330 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5480   -0.5120    2.2110 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0360    1.4890   -0.4160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    2.2730   -1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    1.6460   -1.9160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    3.4550   -1.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -4.3960    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -4.4390   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280   -4.2350    0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5680   -1.1680   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5870   -1.8870   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150    0.1120    1.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    2.2760    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670    2.0950    0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4510   -1.2590   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440   -1.2780    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    1.9790    0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    2.2460   -2.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 36  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDU07
 OpenBabel09302314563D

 39 40  0  0  1  0  0  0  0  0999 V2000
   -0.5770   -2.1960   -1.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4360   -1.7770   -0.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -2.6540   -0.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -4.0080   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990   -0.4170   -0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520    0.5380   -1.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4310    0.0810   -2.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260    0.7960   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950    0.0630   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520    0.2170    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6520   -0.4400   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5120   -1.8570    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580    1.1240    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3800    1.3200    2.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1950    1.8670    1.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.6840    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.0310   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   -0.8540    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -0.2330    1.4310 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3900    0.9660    1.2560 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6580   -1.0420    2.1860 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4350    1.3470   -0.3770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220    2.2580   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120    1.7940   -1.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    3.4070   -1.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6480   -4.5060    0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   -4.3970   -1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150   -4.0960    0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.6480   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5310   -2.2160   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1490   -2.1400    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320   -2.2320   -0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1460    0.7300    1.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1300    2.5600    2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980    2.2330    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4760   -1.5740   -0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -1.4820    1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.7100    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380    2.4900   -2.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 39  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDU08
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -2.1280   -2.5070   -1.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -1.9430   -0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740   -2.6850   -0.8300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -4.0800   -1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050   -0.5470   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -0.1020   -0.9560 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0900   -0.6980   -1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -0.2780    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930    0.2190    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480    0.8260   -0.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930    1.6640   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0710    1.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550   -0.5960    2.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8580   -1.0920    2.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240   -0.9320    1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900    0.3650   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590   -0.0270   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8590    0.9210    1.0590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5390    0.3440    1.8970 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6630    2.1360    0.8930 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5120    1.7100   -0.4530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820    2.2170   -0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540    1.3090   -1.3940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860    3.4170   -0.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450   -4.4610   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390   -4.2820   -2.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590   -4.4990   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1260   -1.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    1.0690   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030    2.4280   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    0.4570    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8020   -0.7190    3.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820   -1.6020    3.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -1.3240    1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950   -1.0550    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8400   -0.0410   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    2.4020   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    1.6730   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 38  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDU09
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.8330   -3.0120    0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190   -2.1320    0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3260   -2.4380    0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -3.7820   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960   -0.7430    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -0.0380    1.1360 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5290   -0.7230    1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    0.3860    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3340    0.3680    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    0.0920    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -1.2490    1.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420    0.7330   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    0.6240   -0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130    1.0280   -1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    1.1470   -1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960    1.1840   -2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5010    0.8080   -1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900   -0.0740    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5400   -0.6410   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3810    0.4080   -1.2260 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5870    1.4960   -0.6640 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7520    0.0080   -2.3200 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5460    1.1950    0.8710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580    1.8460    1.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920    1.1510    1.9150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600    2.9540    2.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -3.7910   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -4.0420   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -4.4570    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830   -1.3310    2.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1720   -1.3870    1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890   -1.9630    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580    0.8740   -0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.0850   -1.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4680    0.3930   -2.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    1.4380   -2.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230    1.5090   -3.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.8280   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670   -1.1100    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370   -1.4460   -1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160    1.7540    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650    1.6710    2.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU10
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.8250   -2.7530    0.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350   -2.0330    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510   -2.4960   -0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310   -3.7800    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -0.7100   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -0.1680   -1.2030 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2780   -0.9560   -1.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960    0.2540   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    0.1230   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380   -0.2830   -2.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.6760   -2.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5130    0.4860    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590    1.0050    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    1.4060    2.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630    1.3290    1.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    1.1620    1.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850    0.7840    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.0330   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -0.4490    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5840    0.5350    1.1730 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2500    0.1420    2.1250 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7130    1.5750    0.5060 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4890    1.2590   -0.7460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5610    1.7770   -1.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850    0.9810   -2.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460    2.8620   -2.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -3.9320    0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -4.5330   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -3.7840    1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730   -1.8470   -3.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -2.2650   -1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720   -1.9020   -1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    0.3660   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1070    1.7220    2.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.9610    0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510    0.2910    1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    1.5710    2.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410    0.8940    1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9990   -0.8490    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9350   -1.3290    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3570    1.8450   -0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    1.4150   -2.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU11
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.1310   -2.9550    0.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -2.1040    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580   -2.5870   -1.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.7540   -2.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -0.6660    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -0.2600    1.2850 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3360   -1.0550    2.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -0.1180    0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -1.2630    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -2.4930    0.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940   -3.1300    1.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090   -1.1950   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    0.0430   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    1.1900   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    2.3440   -1.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950    3.5390   -0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730    1.1220    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8600    0.2380   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820   -0.0970   -0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3430    0.6730   -0.6410 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2010    1.8820   -0.3960 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3560   -0.0030   -0.7300 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7410    1.5760    0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    1.9700    1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    0.9850    1.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240    3.1300    1.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -1.0710   -2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920   -2.4670   -2.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710   -1.2010   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -3.9140    1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400   -2.4530    2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920   -3.5600    1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340   -2.1130   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.1320   -1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    4.2870   -1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650    3.7740    0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    3.4690   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    2.0310    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070   -1.1800   -0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7580    0.1830   -2.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450    2.2310    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    1.3150    2.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU12
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    0.1890   -2.2880    1.6540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -1.7700    0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   -2.5410   -0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320   -3.9340   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -0.3690    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    0.5010    1.4440 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2860    0.0980    2.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    0.4850    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    1.2400   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    1.1980   -1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8340    0.3730   -0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9620    0.4300   -1.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220   -0.4460   -1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -0.4020    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.3390    1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360    0.1660    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9130   -0.6650   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3020   -0.0270   -1.1260 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3230    1.2060   -1.2730 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2010   -0.8440   -1.2900 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0910    1.5340   -0.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    2.4170    0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    1.8780    1.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870    3.6200    0.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470   -4.3400   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370   -4.3320    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1320   -4.1250   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7870    1.8600   -0.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510    1.7790   -2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7660   -0.2370   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6990   -1.4910   -1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220   -0.1990   -0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690   -1.0490    0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.9630    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1620   -1.5840   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4710   -1.0270   -1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.9460   -0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    2.5330    2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 38  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDU13
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
   -0.0540    3.0510    0.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050    2.0260    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670    1.4910    2.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530    2.2090    3.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    1.2120   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    1.1690   -1.2230 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4090    2.2230   -1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840    0.3020   -0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.7510   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910    1.9270   -1.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0740    2.9980   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    0.0180   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550   -1.2300    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3470   -1.8550    0.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -3.1240    1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -1.7540    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430   -0.9840   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -1.3830   -0.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7290   -2.5950    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2100    0.4910   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3230    0.4120    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -1.0880    0.9160 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8290   -1.8010   -0.1020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9970   -1.3720    2.0820 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4570   -0.1770   -1.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -0.1980   -2.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    0.6740   -2.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420   -0.8660   -3.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300    1.6080    4.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2720    3.2180    3.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    2.2560    3.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    3.8400   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    2.7810    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    3.1930    0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670    0.3990   -0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -3.3930    1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -3.8480    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -3.0420    2.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460   -2.7230    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200   -2.6100    0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5870   -2.5360    1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320   -3.4550   -0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2300    0.9150    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870    0.8740    1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -0.9380   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650    0.5430   -3.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 46  1  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
RDU14
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
    2.0420   -2.6100    1.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790   -1.6710    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6780   -1.1070    1.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2520   -1.6150    2.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330   -1.0580   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260   -1.7400   -0.6200 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7170   -2.8300   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5770   -1.0840   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540   -1.8210   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760   -1.2120    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0220   -2.0740   -0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3350   -1.5660    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240    0.1240    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2300    0.6490    0.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5140    1.9230    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150    0.8460    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.1350    0.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600    2.9280    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    0.2400    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    0.0940   -0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    1.1480   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    2.5260   -0.1070 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2210    3.1210    0.9450 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0460    2.8120   -1.2600 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0320    0.3630   -1.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   -0.5210   -2.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -1.6730   -2.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470   -0.3170   -3.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560   -1.0110    2.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910   -2.6760    2.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630   -1.4740    3.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470   -2.8620   -0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9520   -2.4550   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5570   -0.7930   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4700   -1.1840    1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6060    1.9480    0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0850    2.0380   -0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1260    2.6990    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430    3.9150    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640    2.9620    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620    2.5610    1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    0.8090    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.3110   -0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090    0.9530    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180    1.3670   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920   -2.2200   -2.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 46  1  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
RDU15
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -1.3460   -2.8160    0.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -2.0280   -0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -2.4490   -0.8930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480   -3.7920   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530   -0.6460   -0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    0.0390   -1.4970 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2540   -0.5960   -2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400    0.2560   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960   -0.4220   -1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -0.2510   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710    0.6030    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1340    0.8250    1.5780 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    1.2830    1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    1.0980    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    0.0250   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.6310    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2180    0.1930    1.4200 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0020   -0.4830    2.0770 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2430    1.4130    1.1880 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2520    1.3420   -0.4340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4540    2.0300   -1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    1.3250   -2.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730    3.1950   -1.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980   -3.9090   -1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0870   -4.4770   -1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   -3.9350    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -1.1080   -1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840   -0.7820   -0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    1.9370    1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410    1.6040    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890   -1.0730    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -1.5140    0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    1.8770   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    1.8670   -2.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU16
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    0.7940   -2.2520   -1.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -1.8080   -0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -2.5830    0.3690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470   -3.9080    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270   -0.4740   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    0.4570   -1.2410 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5920    0.0440   -2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050    0.5280   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780    1.0630    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.6760    1.5880 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.1000    1.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8010    0.5720    1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    0.0180    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2890   -0.6540   -0.5440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7040   -0.0240   -0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940   -0.0550   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060   -0.9700    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310   -0.5430    0.2590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3170   -1.4820    0.3050 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7610    0.6760    0.2160 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3370    1.2660   -0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630    2.2290   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2600    1.7980   -1.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    3.4050   -0.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.3390    1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   -3.8900    0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380   -4.4430   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    1.5270    2.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920    0.5870    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -0.5160   -1.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930   -1.1540    1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9560   -1.9700   -0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3230    1.5850   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100    2.5190   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDU17
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -0.7530   -1.8190    1.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360   -1.3180    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -2.0830   -0.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700   -3.3830   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190    0.0810    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4440    0.7020    1.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3780    0.4350    2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740    0.2070    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490   -0.3950   -0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730   -0.8240   -1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070   -0.6350   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3820   -1.0350   -0.9880 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.0500    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    0.3680    1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    0.7770   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120    0.2540   -1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -0.2470   -0.1530 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3630   -0.9460    0.7420 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9600    0.1300   -0.4150 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2870    2.1430   -0.7450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    2.8520   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    2.1760    0.9370 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    4.0470   -0.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810   -3.7840   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -3.2930    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230   -3.9760    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350   -0.5460   -1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -1.2950   -2.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0650    0.0730    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620    0.8140    2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.6510   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120    0.9650   -1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9450    2.6990   -1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    2.6680    1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU18
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -2.2460   -2.8040   -0.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110   -2.1780   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3270   -2.7530    0.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -4.0360   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6630   -0.8650    0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -0.4950    1.6170 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5930   -1.3580    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.1590    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840    0.9150    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    1.2070   -0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    0.4180   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4820    0.7000   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -0.2960   -1.4310 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5800    1.7650   -1.4890 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230    0.9120    0.2330 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -0.6700    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -0.9570    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300    0.0210    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   -0.2140   -1.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7790    1.0780   -1.9710 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9710    2.1230   -1.3280 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.8800   -3.1760 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8240    1.2040    0.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040    1.5550    1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    0.6390    2.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180    2.6000    2.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -4.2850    0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -3.9840   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200   -4.7500    0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910    1.5170   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060    2.0460   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -1.3000    0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390   -1.8210    1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5100   -0.5640   -0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1170   -1.0030   -1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590    1.9470    0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.9490    3.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 37  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU19
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.3260   -2.4110    1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740   -1.8260    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   -2.5320   -0.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890   -3.9400   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950   -0.4060    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340    0.3840    1.6270 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1760   -0.0770    2.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420    0.3490    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480    1.1600   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010    1.0910   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610    0.1970   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000    0.1080   -0.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2370   -1.1710   -1.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4260    1.2540   -1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3490   -0.6290    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0950   -0.5510    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480    0.2130   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720   -0.5350   -0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    0.1970   -1.4650 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2520   -0.5610   -1.8030 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2920    1.4350   -1.5500 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2360    1.5870    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    2.3940    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    1.7700    1.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280    3.6060    0.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550   -4.2870   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -4.1870   -0.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7960   -4.3470    0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980    1.8470   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9140    1.7230   -1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500   -2.0120   -0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6770   -1.2640   -2.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3130   -1.2680   -1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2460    2.1890   -1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120    1.1790   -1.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9260    1.3250   -2.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930   -1.3200    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430   -1.2150    2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320   -0.9110   -1.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -1.4450   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800    2.0660   -0.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680    2.3720    2.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 42  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDU20
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -2.0020   -2.7510   -0.5800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3850   -2.0590    0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940   -2.5980    0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -3.9340    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920   -0.6910    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450   -0.1370    1.6070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5660   -0.8480    2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7270    0.0540    0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040    0.9740   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.1350   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    0.3570   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    0.5700   -0.9900 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0580   -0.5750    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.7230    1.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960    0.0830    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040   -0.4420   -1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6010    0.4950   -1.6610 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3650   -0.0840   -2.4250 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5750    1.6960   -1.3440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7540    1.3820    0.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130    1.9500    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    1.1370    2.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1900    3.1040    1.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -4.1520    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -4.0000   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090   -4.5990    0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530    1.5610   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    1.8520   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8880   -1.1870    1.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -1.4670    2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0510   -1.3340   -0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220   -0.8430   -1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4950    1.9980   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030    1.5950    2.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU21
 OpenBabel09302314563D

 33 34  0  0  1  0  0  0  0  0999 V2000
   -0.1610    2.2570   -2.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920    1.6960   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    2.4060   -0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590    3.8190   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    0.2730   -0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800   -0.4670   -1.2020 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4320   -0.1180   -2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020   -0.2130   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720   -0.5460   -0.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2270   -0.3610    0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530    0.1630    1.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6350    0.4990    2.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    0.3100    1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590   -1.9150   -1.3200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.3640   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260    0.2950   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430   -0.1940    1.0930 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3870   -1.4190    1.2830 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9950    0.6860    1.7370 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4120   -1.7370   -0.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070   -2.5300   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170   -3.7350   -0.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    4.1590    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    4.1490   -0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    4.1570   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2390   -0.6470    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480    0.3000    2.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850    0.9040    3.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980    0.5680    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930   -2.4750   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    0.0600   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    1.3930   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -2.1840    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 21  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDU22
 OpenBabel09302314563D

 31 32  0  0  1  0  0  0  0  0999 V2000
    0.5880   -2.0180    1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -1.3920    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   -2.0030   -0.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190   -3.2160   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -0.0100    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810    0.3770    1.0820 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8050   -0.0180    2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0950   -0.2010    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010   -0.9070    1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1200   -1.3230    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770   -0.9310   -1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.0550   -1.2970 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0330    1.8400    1.1930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860    0.8790   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.6120   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060    0.1970   -0.1310 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5790    0.7180   -0.4110 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1640   -0.5860    0.7460 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6440    2.2160   -0.4710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910    2.7140    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6840    3.8980    0.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660   -3.4890   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550   -3.9710    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -3.0190    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430   -1.1570    2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9770   -1.8910    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4870   -1.1200   -2.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670    2.1800    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    1.4520   -1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2360   -0.2520   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    2.9080   -0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 20  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
RDU23
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
    0.3680   -3.0420   -0.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -2.1570   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890   -2.4550    0.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -3.7910    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -0.7760   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -0.4190   -1.2120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7770   -1.3240   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    0.1470   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330    1.0220    0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    1.3340    1.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510    0.6450    1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.1170   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5160   -0.9150   -0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8350   -0.9330   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2640   -0.1700    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850    0.6250    1.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090    0.5810   -2.2910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9670    0.2280   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    0.1880    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    1.4420    1.4650 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6910    1.2660    2.5320 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5550    2.4500    1.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8270    1.4120   -1.1450 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050    1.6110   -2.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860    2.6160   -2.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740   -3.7910    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -4.4840   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -4.0330    1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400    1.4490    1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    1.9340    2.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860   -1.5180   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5620   -1.5490   -0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3100   -0.2150    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7120    1.2080    2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    0.7970   -2.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890    0.2120   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380   -0.7170    1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2910    2.2770   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU24
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -0.6150    3.0050   -1.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820    2.1260   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    2.4560    0.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920    3.8410    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760    0.7140   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    0.3560   -1.7580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1230    1.0730   -2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    0.5070   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860   -0.5090   -0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -0.3180    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -1.1220    1.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290   -0.9560    1.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500    0.0070    1.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680    0.8080    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710    0.6480   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2970   -0.9880   -2.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320   -0.2770   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -0.0080    0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5960   -1.2320    1.6090 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3200   -2.3790    1.1670 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3310   -0.9600    2.5480 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7700   -1.5840   -0.5330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360   -1.9840   -1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130   -3.1540   -1.8930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040    3.8640    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    4.3920   -0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    4.2320    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    1.5520   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770   -1.5510   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110   -1.8700    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460   -1.5770    2.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820    0.1340    2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0840    1.5600    0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520    1.2760   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900   -1.3010   -2.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980    0.5710    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300    0.6470    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810   -2.3620    0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 23  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDU25
 OpenBabel09302314563D

 52 54  0  0  1  0  0  0  0  0999 V2000
    3.6760    0.8680   -2.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    1.2490   -1.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900    2.4110   -1.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600    3.0300   -2.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710    0.6760   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    1.4090    0.8930 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2570    2.5050    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    1.2410    0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610    2.3500    0.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    2.2060    0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010    0.9450    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7550    0.8110    0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690   -0.2230    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8200   -0.3590    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6370   -0.0010    1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0150   -0.1310    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5780   -0.6250   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9380   -0.6980   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6010   -1.2040   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7880   -0.9930   -1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4050   -0.8590   -1.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -0.1640    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020   -0.0160    1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700   -0.5100   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   -1.2680   -1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540   -2.6370   -1.0540 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0460   -3.1090   -2.0730 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5630   -3.0950    0.1000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4740   -1.0110    1.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940   -0.3300    2.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5460    0.9410    2.1750 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2950   -0.8100    3.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730    3.9010   -2.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    3.3230   -3.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    2.3460   -3.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    3.3260    0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540    3.0700    0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3180    1.6240    1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980   -1.0180   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1810    0.3750    2.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6570    0.1400    1.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6560   -1.1620   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4260   -0.5610   -2.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3020   -2.2380   -1.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2270   -1.3760   -2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7740   -1.1430   -1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.1460    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410   -0.8870    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -1.4980   -2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4970   -0.6310   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9730   -1.9450    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.3480    3.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 52  1  0  0  0  0
M  CHG  2  27  -1  28  -1
M  END
$$$$
RDU26
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -1.8580    2.7990    0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    1.9270   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580    2.2630   -1.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110    3.6290   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160    0.5250   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040   -0.2770   -1.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3850    0.2810   -2.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730   -0.5650   -0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    0.0500   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600   -0.1670   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710    0.9330    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    0.7590    0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170   -0.5360    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5550   -0.7140    1.7370 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -1.6510    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460   -1.4520    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200   -1.5510   -1.9380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5770   -0.0660    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    0.6830    0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4890   -0.0770    1.8620 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7280   -1.2590    1.5620 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9840    0.6090    2.7480 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8660   -1.3880   -0.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -2.1630   -1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170   -3.3220   -1.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.6740   -1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    4.2590   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4580    3.9160   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660   -1.2730    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860    0.7900   -1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5570    1.9330   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6890    1.6100    0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360   -2.6480    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.3050   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6840   -2.1430   -2.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.2370    1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    1.4890    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640   -1.8550    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU27
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -3.2400    0.4550    3.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430   -0.0550    2.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740   -1.2170    2.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210   -1.8330    1.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680    0.5100    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.8240    0.8410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3140    2.4800    1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    1.5280    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1260    1.1950   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5320    0.8010   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    1.5750    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200    1.1800    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780    0.0060   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0030   -0.5390   -0.1310 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2530   -0.7840   -0.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220   -0.3770   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620    2.5620   -0.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4270   -0.0450   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1480   -1.3330   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190   -2.2720   -1.2520 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6450   -1.7210   -2.3620 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2640   -3.3930   -0.9190 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4740    0.6180   -1.3200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9320    1.8930   -1.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9430    2.4510   -2.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790   -2.4200    2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340   -1.1060    0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -2.4980    0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130    1.5370    1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    1.1580   -1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    2.4920    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5550    1.7890    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -1.7050   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.9820   -1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020    3.4460   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2290   -1.2130   -0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -1.8710    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7270    0.0420   -2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDU28
 OpenBabel09302314563D

 40 41  0  0  1  0  0  0  0  0999 V2000
    2.4370    1.5990   -2.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    0.9120   -1.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420    0.1160   -1.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5280    0.0840   -2.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510    0.8370   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    1.8650   -0.0470 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1330    2.7850   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950    1.1450   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1990    0.6390    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -0.3360   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5110   -0.0010   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530    1.3780   -0.3980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    2.1980    0.2210 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9860    1.6730   -0.9880 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.4200   -0.9890   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0210   -2.3170   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210   -2.6640   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8210   -1.6850   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    2.2760    1.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   -0.1340    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -1.4830    0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460   -2.5410    0.8770 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1850   -2.3580    2.0150 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3570   -3.3720    0.0300 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7820    0.1080    1.9820 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870    1.3330    2.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    1.5690    3.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600   -0.2750   -3.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450   -0.6200   -2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    1.0800   -3.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3270    0.9670   -1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130    0.8530    1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4340   -0.7130   -1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -3.0890   -1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050   -3.7100   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7990   -1.9720    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320    3.0980    1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530   -1.7130    1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680   -1.6730   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6160   -0.7360    2.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 26  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
RDU29
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -0.8500   -1.7170   -2.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330   -1.3350   -1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070   -2.1050   -1.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -3.5030   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6710   -0.0150   -0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930    1.0030   -1.4870 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7670    0.8260   -2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970    0.8220   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680    1.8480    0.6510 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -0.0680   -1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960   -0.4540   -0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.0180   -1.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0880   -0.4230   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600   -1.2630    0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980   -1.7010    1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640   -1.3000    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2910    0.2830    0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8640   -0.6570    1.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510   -1.7650    1.7810 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8740   -1.9870    0.9520 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9750   -2.2350    2.8890 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.6340    0.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    2.6870   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180    2.3600   -1.2730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210    3.8410    0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280   -3.9380   -0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -3.8170   -0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -3.7360   -2.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970   -0.6470   -2.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0510    0.6400   -1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.0810   -0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -1.5750    1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -2.3540    2.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -1.6360    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6910   -1.2640    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310   -0.2010    2.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    1.8930    1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    3.1170   -1.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDU30
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.2050    1.8970   -1.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    1.5830   -1.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    2.5610   -0.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    3.8930   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590    0.2560   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -0.8070   -1.3570 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1680   -0.5550   -2.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.8350   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850   -1.5580    0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080   -0.1790   -0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -0.0580   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5850   -0.7480   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -0.6160    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    0.2070    1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160    0.9000    1.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490    0.7700    1.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -2.1230   -1.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -0.0950   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860    0.8940    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480    0.3580    1.3070 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4740   -0.8910    1.4100 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.1020    1.2150    1.7440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4880   -1.4120    0.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060   -2.4550   -0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -3.6200   -0.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990    4.4890   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800    4.1280   -1.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    4.0270   -0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550   -1.4170    1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650   -2.6410    0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -1.2120    1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    0.3600   -1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680   -1.3890   -1.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6460   -1.1570    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    0.3070    2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.5420    2.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    1.3090    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220   -2.8870   -1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630    1.6180   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    1.5070    1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320   -1.6340    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 24  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDZ01
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
    1.2300   -2.6140   -1.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630   -1.8890   -1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370   -2.3360   -1.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -3.6720   -1.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4360   -0.5180   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170    0.0300   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210   -0.7440   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910   -0.2870    1.3550 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9000   -1.1970    2.0560 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5360    0.9430    1.5170 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7550    1.4050   -0.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    2.2140   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    3.5730   -0.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850    3.8040   -1.1260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    2.7100   -1.2950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470    1.6730   -0.9530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680    0.2360   -0.9070 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4320   -0.0250   -1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570   -0.0180    0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150    0.2910    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9570    0.0700    1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4430   -0.4590    2.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870   -0.7630    2.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420   -0.5430    1.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2200   -3.8170   -1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590   -4.3610   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740   -3.7810   -2.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -0.6380   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -1.8300    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    1.7940    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    0.7180   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0120    0.3140    1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990   -0.6280    3.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810   -1.1710    3.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790   -0.7890    1.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ02
 OpenBabel09302314563D

 36 38  0  0  1  0  0  0  0  0999 V2000
    0.0530   -2.8440   -0.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -2.0560    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640   -2.6040    1.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.7560    2.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450   -0.5960    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510    0.0400   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390   -0.6390   -1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650    0.0370   -0.5360 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0780    1.2700   -0.6640 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8720   -0.7330   -0.0420 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5220    1.4210   -0.8230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    2.1460   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480    3.4870   -0.2040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850    3.6350    0.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    2.5070    0.9440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4960    1.5260    0.5330 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    0.0660    0.6570 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7630   -0.1720    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -0.3360   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260   -0.7290   -1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130   -1.0340   -2.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -0.9500   -1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830   -0.5780   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.2890    0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    0.0260    1.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -2.4120    2.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -1.4520    1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -0.8860    2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670   -1.7210   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.5290   -2.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650    1.8950   -1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.8140   -1.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780   -1.3420   -3.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2570   -1.1810   -1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3260   -0.5170    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    0.2280    2.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ03
 OpenBabel09302314563D

 36 38  0  0  1  0  0  0  0  0999 V2000
    0.3210   -2.7800   -0.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380   -2.0610    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -2.6890    1.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -1.9400    1.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -0.6040    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580   -0.0350   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -0.7940   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -0.2750   -0.7590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1810    0.9570   -0.8350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8340   -1.1420   -0.3890 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6480    1.3580   -0.7280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    2.1410    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160    3.4950    0.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    3.7070    1.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.6070    1.4010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160    1.5770    0.8170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    0.1530    0.8100 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7190   -0.1740    1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700   -0.0360    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8890    0.1890   -1.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.0150   -2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   -0.3860   -1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   -0.6060   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840   -1.0000    0.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210   -0.4350    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -2.6290    2.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.7290    1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050   -1.0180    2.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620   -1.8820   -1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -0.6440   -2.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140    1.7440   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    0.4870   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    0.1870   -3.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -0.5270   -1.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0680   -1.1280    0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350   -0.6160    1.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ04
 OpenBabel09302314563D

 36 38  0  0  1  0  0  0  0  0999 V2000
   -0.3530   -1.3580    3.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760   -1.3850    1.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340   -2.6180    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2840   -2.7540   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130   -0.1980    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.0160    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810   -0.9520    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970   -1.2180   -1.3000 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4020   -2.3900   -1.6210 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3960   -0.1740   -1.9620 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1480    1.2420   -0.2480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    2.2460   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.5530   -0.5470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    4.1100   -0.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190    3.2720    0.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390    2.0740    0.6100 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    0.7880    1.1500 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7060    0.9480    2.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170    0.2930    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -0.0630    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820   -0.5510    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -0.6630   -1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8120   -1.1290   -1.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270   -0.3100   -1.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430    0.1700   -1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -2.9010   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -3.6620   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -1.9010   -0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -0.5720    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840   -1.9160    0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480    1.2370   -1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8340    0.0310    2.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870   -0.8340    0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940   -1.3750   -1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930   -0.4150   -2.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240    0.4490   -1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ05
 OpenBabel09302314563D

 37 39  0  0  1  0  0  0  0  0999 V2000
   -1.6680    2.5430   -1.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930    1.7560   -1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5210    2.0730   -1.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430    3.3590   -2.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940    0.4310   -0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    0.0250   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    0.9140    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4350    0.7280    1.7220 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6290    1.7580    2.3460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4570   -0.4590    2.0870 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2480   -1.3160    0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830   -2.2340   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640   -3.6020   -0.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -3.9780   -0.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -2.9660   -1.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760   -1.8360   -0.9200 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3400   -0.4280   -1.0850 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7740   -0.3180   -2.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   -0.1060   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780    0.3030    1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    0.5950    2.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    0.4730    1.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2510    0.7460    2.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7190    0.0690    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400   -0.2130   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840   -0.5990   -1.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320    3.4000   -2.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730    4.1340   -1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.4420   -3.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800    0.7100   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9120    1.9860   -0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360   -1.5510    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.4000    1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    0.9100    3.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810    1.0080    3.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730   -0.0180    0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0560   -0.7430   -1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ06
 OpenBabel09302314563D

 37 39  0  0  1  0  0  0  0  0999 V2000
   -1.0030   -1.5690    1.9450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6640   -0.7240    1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -0.6100    1.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6330   -1.8120    2.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.3950    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370    0.9370   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1020    0.4730   -1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850   -1.0860   -1.4760 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2530   -1.7670   -0.7630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6670   -1.3560   -2.4550 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3190    2.0780   -1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2120    2.6980   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650    3.9160   -0.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    4.0380    0.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    3.0070    0.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    2.1240    0.4690 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    0.7570    0.9770 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3800    0.7650    2.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030   -0.1820    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260   -1.2500   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870   -2.1160   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -1.9020   -0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400   -2.6940   -1.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090   -0.8340    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070   -0.5920    0.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    0.0300    0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6930   -1.5500    2.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580   -2.0990    3.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380   -2.6070    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.0300   -1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9410    0.4730   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330    2.4330   -1.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -1.4420   -0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820   -2.9470   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950   -3.4180   -1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -1.2430    0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    0.8600    1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ07
 OpenBabel09302314563D

 40 42  0  0  1  0  0  0  0  0999 V2000
   -0.6160   -2.4420   -0.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -1.9150   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -2.7200   -1.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290   -2.2210   -1.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -0.5180   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920   -0.1660    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -1.1150    1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060   -0.9740    1.2460 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5040    0.1990    1.3100 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7030   -2.0190    1.0450 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1950    1.1720    0.7660 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040    2.0820   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    3.3910   -0.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    3.7930   -1.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720    2.8570   -1.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6660    1.7420   -1.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640    0.4690   -1.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2190    0.1380   -2.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    0.6040   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.5610    0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870    1.6060    1.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8550    0.6590    1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0770    0.6280    1.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6040   -0.3320    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6150   -1.2210   -0.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1850   -2.4980   -0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -0.3300   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710   -2.2200   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260   -1.2270   -2.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -2.9610   -2.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370   -2.1670    1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -0.9150    2.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    1.3370    1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    2.2840    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790    2.3640    2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1510    1.3360    2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0370   -3.1410   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800   -2.8450   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0200   -2.4580   -1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -1.0770   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ08
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    0.4610   -2.6960    0.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200   -1.9910    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700   -2.5370    0.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -3.9460    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5620   -0.5680    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    0.1380    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540   -0.4710   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690    0.3500   -1.3490 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4930    1.5780   -1.3100 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3230   -0.3330   -2.1210 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7730    1.5060    0.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680    2.1500    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    3.4110    1.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    3.4630    2.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160    2.3420    1.8360 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530    1.4770    1.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    0.0920    0.7880 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4140   -0.4310    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    0.1360   -0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    0.5420   -1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450    0.5860   -2.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    0.2230   -2.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -0.1920   -1.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630   -0.2280   -0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -0.5320    0.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080   -1.9350    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800   -4.1610    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120   -4.2230    2.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -4.4490    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220   -0.5850    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840   -1.4910   -0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420    2.0750    0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920    0.8240   -1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210    0.9040   -3.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180    0.2640   -3.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6040   -0.4750   -1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0710   -1.9870    1.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2190   -2.4380    0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5940   -2.3600    0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ09
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
   -1.1830   -3.1650    0.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200   -2.0930    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -2.0440   -0.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940   -3.3000   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -0.7880    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7300    0.4200    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    0.5380   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9780    1.9210   -1.5390 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3180    2.8820   -1.1070 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7620    1.8750   -2.4770 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3510    1.5940    0.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230    1.5610    1.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    2.5210    2.6050 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    1.9070    3.3490 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    0.6430    3.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3470    0.3670    2.0920 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -0.8950    1.3700 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0880   -1.7230    2.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -1.1590    0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -2.4330    0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -2.7280   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.7380   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8550   -0.4670   -1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    0.4720   -2.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1720    1.4310   -1.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530   -0.1790   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490    1.0370   -0.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950    1.6630   -1.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5850   -3.0230   -0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640   -3.9190    0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050   -3.8150   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7890    0.3060   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6430   -0.2030   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460    2.5350    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -3.2150    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -3.7300   -0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2620   -1.9410   -1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    2.1510   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770    0.9510   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    1.9120   -0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410    2.2190   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560    0.9420   -2.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140    2.3490   -1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ10
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
    1.1990   -3.3940    0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390   -2.4760   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430   -2.7040   -1.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0480   -4.0260   -1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340   -1.0940   -0.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480   -0.5700    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440   -1.2350    1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -0.2310    2.5230 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1600   -0.5890    3.5520 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3250    0.8250    2.2730 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6310    0.6560   -0.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    1.4190   -1.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    2.6190   -1.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620    2.8460   -2.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    1.8930   -2.8870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    0.9610   -1.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -0.2610   -1.6110 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0320   -0.8060   -2.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140    0.0820   -0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050   -0.3410   -1.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -0.1370   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5400    0.4990    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7940    0.6230    0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9020    1.2070    2.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    0.9490    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670    0.7470    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300    1.1820    0.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    1.6000    2.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -3.9740   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -4.2880   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480   -4.7340   -1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6770   -1.5780    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -2.1330    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    1.1330    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760   -0.8630   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4540   -0.4680   -1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9800    1.1620    2.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5580    2.2460    2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3550    0.6150    2.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    1.4370    1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900    1.9240    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    0.7420    2.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    2.4290    2.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ11
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
   -0.2410   -1.4330   -3.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680   -1.4560   -2.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -2.6490   -1.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440   -2.7090    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270   -0.3140   -1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200   -0.2630   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8480   -1.4130   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -1.5570    0.6940 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0540   -2.5990    1.2640 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9300   -0.5440    1.1090 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5150    0.9380   -0.4550 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220    2.0600   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3640   -0.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710    4.0620   -0.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    3.3160   -0.7640 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860    2.0390   -0.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620    0.8140   -1.1450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9260    0.9820   -2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    0.4770   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6680    0.3040   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280   -0.1010    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8730   -0.3140    0.5790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780   -0.2850   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700   -0.3240    2.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.1340    2.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540    0.2690    1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660    0.5270    1.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050   -0.0430    2.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -3.7870    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -2.2400    0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   -2.2480    0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -1.2660   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -2.3630   -1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3670    0.8610    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    0.4770   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4300   -0.5600   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720   -1.0250   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    0.7220   -1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660   -0.6420    2.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550   -0.2990    3.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    0.3080    2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950   -1.1390    2.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    0.3350    3.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ12
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
   -0.9860   -1.5600    2.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040   -0.8340    1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0650   -0.8950    1.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600   -2.1540    1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770    0.3150    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460    0.7250   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0960    0.0820   -1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -1.4740   -1.5400 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9750   -2.0110   -0.7730 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3890   -1.8870   -2.5100 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5310    1.9030   -1.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670    2.6870   -0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1380    3.9640   -0.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    4.2550    0.0450 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480    3.2760    0.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270    2.2560    0.4950 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430    0.8790    1.0310 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0670    0.9330    2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420    0.0900    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -1.0670   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -1.7740   -0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4760   -1.3120   -0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840   -2.0930   -0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8120   -1.6790   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510   -0.1730    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180    0.5190    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -2.0390    1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370   -2.3500    2.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -2.9410    1.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340    0.5470   -2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9840    0.0190   -0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180    2.1700   -2.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790   -1.4390   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910   -2.6730   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4100   -2.4420   -1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110   -1.6950    0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.6900   -0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330    0.1790    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6400    1.4120    1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ13
 OpenBabel09302314563D

 47 49  0  0  1  0  0  0  0  0999 V2000
   -0.0600   -2.7310   -0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550   -2.0450    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -2.6930    1.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6130   -1.9920    2.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -0.6100    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280   -0.1720   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200   -1.0590   -1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5980   -0.6230   -0.6920 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8240    0.5840   -0.8780 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3060   -1.5130   -0.2480 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3330    1.1930   -0.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200    2.0900   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4670    3.4600   -0.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    3.8160    0.6850 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    2.7940    1.2110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.6710    0.7820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0540    0.2710    0.9400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0080    0.0620    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.0760    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    0.1150   -1.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140    0.4550   -1.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220    0.4220   -3.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710   -0.1380   -1.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -0.4350   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -0.6760   -1.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530   -1.0720   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820   -0.4500    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330   -0.1910    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370   -0.3010    2.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    0.9590    3.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -1.8470    1.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670   -1.0390    2.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960   -2.6810    2.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790   -2.1240   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0960   -0.9890   -2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3190    1.4880   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    0.7020   -3.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410   -0.5870   -3.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190    1.1590   -3.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -0.1250   -2.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910   -1.2520   -1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8580   -1.9930   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3860   -0.2670   -0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5240   -0.6680    1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600    0.7180    4.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740    1.7000    2.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120    1.3180    2.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ14
 OpenBabel09302314563D

 47 49  0  0  1  0  0  0  0  0999 V2000
    2.2350    0.9730   -3.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560    0.1860   -2.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590   -1.0160   -3.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540   -1.9430   -2.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190    0.4860   -1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -0.1280   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940   -1.4290   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110   -2.4350    0.6370 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.3270   -1.9680    1.7760 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1550   -3.4950    0.1480 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8320    0.4180    1.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340    1.6300    1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    2.5240    2.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.6000    2.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    3.4640    0.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    2.2350    0.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    1.5690   -0.7140 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7370    2.3290   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090    0.9300   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6630    1.4120   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950    0.7950   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340    1.4040   -1.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1610    0.6990   -1.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610   -0.2970    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1500   -0.9470    0.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6710   -0.6910    1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -0.7880    0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120   -1.8710    1.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -2.4990    2.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -0.1580    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780   -2.8470   -2.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -2.1290   -2.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5540   -1.5920   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460   -1.4350   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2770   -1.8150   -1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.2960    1.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420    2.2560   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7020    1.2880   -2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6910    0.7110   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0090   -0.3260   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6340   -1.2080    1.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990    0.3820    1.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0180   -1.1240    2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990   -3.3490    2.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -1.8310    2.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930   -2.8480    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610   -0.5270    0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ15
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
   -0.5700   -1.8070    2.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150   -1.3630    1.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350   -1.9430    1.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970   -3.1160    2.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1020   -0.1990    0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    0.1800   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060   -0.7060   -0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.5550   -2.4170 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2660   -1.5930   -3.0090 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8680    0.6010   -2.8420 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8840    1.4760   -0.6660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260    2.3810   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9030    3.7390   -0.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580    4.1040    0.6810 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    3.0950    1.3340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    1.9780    0.8870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240    0.5750    1.2800 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2640    0.5310    2.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    0.0870    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400   -0.6920   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200   -1.1280   -1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240   -0.7640   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1890   -1.3020   -1.3080 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    0.0140    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210    0.4410    1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7870   -3.4210    1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060   -2.8820    3.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0430   -3.8810    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310   -0.5320   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -1.7780   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    1.7080   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760   -0.9690   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -1.7350   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7680    0.2890    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0640    2.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ16
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
    0.2230   -1.3780    2.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260   -1.3000    1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -2.4150    0.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030   -3.6430    1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040   -0.1130    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    0.1240   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720   -0.8110   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070   -0.2240   -0.4240 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6150    0.8220   -1.0910 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5390   -0.9050   -0.0200 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1080    1.2500   -0.8230 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    2.2000   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    3.4210   -1.3310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980    3.9260   -0.8700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7940    3.1320   -0.0380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    2.0250    0.1010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    0.7900    0.8330 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4940    1.0480    1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300    0.1390    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -0.9040   -0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -1.4820   -1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600   -2.7790   -2.3330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220   -1.0620   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600   -0.0150    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160    0.5610    0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0290    1.8300    1.6690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -4.3770    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -3.8370    1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -3.6170    2.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -1.6060   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.3430    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    1.4920   -1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960   -1.2640   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7010   -1.5320   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    0.3430    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ17
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
   -0.9670   -1.5210    1.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -0.6140    1.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8630   -0.3750    1.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6110   -1.5140    1.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870    0.4510    0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    1.0690   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880    0.7470   -1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8420   -0.8190   -1.5040 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1570   -1.5670   -0.8120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5830   -1.0200   -2.4550 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8410    2.1510   -1.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    2.6450   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    3.7920   -0.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370    3.7980    0.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0150    2.7610    0.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470    1.9940    0.5100 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.6600    1.0080 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6350    0.6570    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -0.3800    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340   -1.4170   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9210   -2.3690   -0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -2.2530   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210   -3.1530   -1.0010 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590   -1.2360    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530   -0.2990    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6410   -1.1520    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2910   -1.8410    2.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4720   -2.3190    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0550    1.3330   -1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360    0.8460   -0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010    2.5570   -1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0440   -1.5080   -0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560   -3.1770   -1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8120   -1.1710    0.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    0.5090    1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ18
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
    2.4770   -2.5110   -1.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -1.6750   -1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680   -1.8260   -2.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -3.0160   -2.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110   -0.4240   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330   -0.2250    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -1.2840    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510   -1.1970    2.3940 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4880   -0.0450    2.8340 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2010   -2.2640    2.9630 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8990    1.0540    0.6190 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    2.1180    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610    3.4730    0.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    4.0370   -0.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    3.1580   -1.2900 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    1.9260   -0.8770 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060    0.6090   -1.3010 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6080    0.6130   -2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    0.3930   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590    1.0730   -1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0340    0.8790   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2170    0.0010    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090   -0.1970    0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4600   -0.6660   -0.0540 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1960    0.9220    1.3000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7490   -1.0450    1.8840 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -0.6670    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   -0.4680    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050   -2.9360   -3.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050   -3.0470   -3.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190   -3.8920   -2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.3050    0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.2190    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.1600    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    1.7680   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8780    1.4130   -1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560   -1.3460    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -0.9990    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 37  1  0  0  0  0
 28 38  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ19
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
   -1.2970   -1.3180    3.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880   -1.3770    1.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.5970    1.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -2.7440    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3850   -0.2340    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210   -0.1510    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -1.2310   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -1.5410   -1.7010 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3190   -2.7210   -2.0050 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4770   -0.5190   -2.3990 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7050    1.0350   -0.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.1350   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970    3.4330   -0.7120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430    4.1110   -0.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740    3.3580    0.7750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870    2.0950    0.6710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    0.8650    1.2980 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2880    1.0530    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    0.5020    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    0.3040    1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2950   -0.0460    1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4470   -0.2030   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570   -0.6490   -0.9850 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820   -1.1700   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310    0.3470   -1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390   -0.0060   -1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100    0.3450   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.9500   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -3.6190    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380   -1.8700   -0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4230   -0.9500    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1780   -2.1650    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2420    0.9490   -1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.4190    2.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -0.1870    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340   -1.9600    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1390   -0.4110    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4810   -1.6450   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580    0.6820   -2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330   -0.1300   -2.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6410    1.2350   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -0.1530   -2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.4900   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ20
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
    0.5950   -2.5550   -1.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -1.7840   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -2.1020   -1.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9850   -3.4350   -1.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.4230   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0090    0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -0.8730    1.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430   -0.3480    1.5630 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7260    0.8810    1.7140 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4950   -1.2200    1.5810 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3460    1.3560    0.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930    2.2590    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920    3.6290    0.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430    3.9790   -0.9270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    2.9540   -1.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    1.8350   -0.9050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    0.4330   -1.1540 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4620    0.2520   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720    0.1890   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300    0.8510   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3410    0.6470   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640   -0.2300    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3590   -0.5230    0.7830 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350   -0.9030    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -0.6850    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680   -3.4710   -1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -3.6110   -2.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -4.1490   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990   -1.9080    1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460   -0.9300    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.6860    1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300    1.5440   -2.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570    1.1720   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230   -1.5920    1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030   -1.2200    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ21
 OpenBabel09302314563D

 34 36  0  0  1  0  0  0  0  0999 V2000
   -0.4410   -2.8830    0.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150   -2.0690    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930   -2.5800    1.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -1.7040    1.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -0.6350    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840    0.0350   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220   -0.6140   -1.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450    0.0900   -1.1280 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6000    1.3260   -1.2310 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5810   -0.6640   -0.9150 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1110    1.4210   -0.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420    2.1180    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    3.4550    0.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680    3.5520    1.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    2.3980    1.6650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    1.4470    1.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    0.0080    0.9670 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0500   -0.3680    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -0.3070    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420    0.4900   -0.9490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3960    0.2190   -1.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2560   -0.8620   -1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970   -1.6890   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110   -1.4140    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -1.5190    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -2.2840    2.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890   -0.7650    2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -0.5240   -2.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300   -1.6930   -1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    1.9190   -1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5390    0.8990   -2.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0940   -1.0520   -2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6330   -2.5480   -0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6680   -2.0620    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ22
 OpenBabel09302314563D

 32 34  0  0  1  0  0  0  0  0999 V2000
    0.0550   -2.3420   -1.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680   -1.8300   -0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -2.5850    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -3.9670   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -0.4340   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810    0.2170    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.4500    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0730    0.4350    0.4490 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0970   -0.1940    0.2200 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9180    1.6370    0.7130 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3710    1.5540    0.4550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    2.2610    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    3.5850    0.1400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    3.7190   -0.4580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7230    2.5990   -0.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860    1.6400   -0.6550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    0.1870   -0.8440 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1640   -0.0090   -1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710   -0.3460    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900   -1.0510    1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -1.4210    1.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -0.9930    1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -0.1260   -0.2520 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -4.3570    0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730   -4.4290   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7830   -4.0990   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -0.8690    1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590   -1.3170   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390    2.0830    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230   -1.3240    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -1.9790    2.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1510   -1.1410    1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ23
 OpenBabel09302314563D

 39 42  0  0  1  0  0  0  0  0999 V2000
   -1.3300    0.1030    3.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800   -0.3960    2.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810   -1.7560    2.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -2.4650    1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    0.3800    1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    0.4210    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0710   -0.4530    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460   -1.2880   -1.3420 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5470   -0.6030   -2.2980 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2560   -2.4660   -1.2700 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7990    1.3640   -0.8870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    2.2580   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    3.3210   -1.6550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260    3.9240   -1.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020    3.3350    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1600    2.2770    0.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800    1.2070    1.2200 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3730    1.6990    2.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    0.3910    0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180    0.3330    1.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5700   -0.5020    1.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520   -0.9810   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380   -0.4360   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040   -0.7840   -1.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740   -1.6390   -2.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8720   -2.1590   -2.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300   -1.8420   -1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270   -2.6840    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -3.3860    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -1.9230    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0160    0.1080   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2020   -1.1530    0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2110    1.0700   -1.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    0.8180    2.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650   -0.7080    1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -0.4030   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040   -1.9230   -3.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2780   -2.8260   -2.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -2.2390   -0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ24
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.3880   -2.4560   -1.9910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780   -1.4460   -1.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -1.2420   -2.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610   -2.2990   -3.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.3230   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -0.4140   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -1.6670    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020   -1.7960    1.8910 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0370   -2.9100    2.3570 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5800   -0.7410    2.4270 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8200    0.7280    0.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    1.9540    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960    3.2350    0.4310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010    4.0450   -0.1690 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    3.3870   -0.7650 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    2.0600   -0.5570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    0.9080   -1.0260 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0070    1.1070   -2.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.7360   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110    0.4770   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.2040    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740   -0.6670    1.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930   -0.9340    2.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5160   -0.3340    1.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6200    0.5340    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5050    0.8010   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510   -1.9450   -3.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -3.2210   -2.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080   -2.4500   -3.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -1.7640   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -2.5710    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4650    0.6280    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.7950    0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920    0.4330   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2160   -1.1390    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110   -1.6100    2.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3870   -0.5420    2.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5720    1.0030    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5850    1.4810   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ25
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
   -0.5680   -1.8450    2.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870   -1.6240    1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600   -2.6330    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -3.9250    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6710   -0.3410    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480   -0.1790   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230   -1.3130   -0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0300   -1.0690   -1.2740 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7170   -2.0820   -1.2840 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3270    0.0940   -1.5900 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1390    1.0860   -0.6950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360    2.1860   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7640    3.5300   -0.2750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620    4.1500    0.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    3.3180    1.1310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    2.0590    0.7700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290    0.7860    1.1240 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7810    0.7190    2.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5540    0.7280    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.1270    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.0010    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -1.2180    0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560   -1.3740    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430   -0.2870   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6920   -0.5680   -0.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460    0.4510   -1.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7850    0.9330   -0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070    1.0660   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -4.5640   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -4.2110    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730   -3.9400    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620   -2.1590   -0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -1.7240   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0430    1.2110   -1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    1.1730   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300   -0.3380    2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090   -2.0500    1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950   -2.3130    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2920   -0.0310   -1.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5330    1.3290   -1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7730    0.7130   -2.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2430    1.7680   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770    2.0150   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ26
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    0.8880   -2.2880   -2.2720 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5580   -1.8120   -1.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -2.5900   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -3.9140   -1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -0.4870   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280    0.0320    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -0.8690    1.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330   -0.3330    2.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350    0.9700    2.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.0990    3.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2940    1.3400    0.5260 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    2.2150   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190    3.5810   -0.3590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7990    3.9070   -1.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    2.8690   -1.9630 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660    1.7700   -1.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    0.3600   -1.5740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5180    0.1860   -2.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -0.0400   -1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520    0.7290   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0570    0.2600    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8730   -0.5210   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170   -0.9620   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5180   -0.6040    0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7020   -1.0180    1.4020 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7330    0.1720    1.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4950    0.6040    1.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920   -4.4530   -1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360   -4.3420   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010   -3.8990   -2.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200   -1.3740    0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -1.7090    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    1.5940    1.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530   -1.0750   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5020    1.7560   -0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -0.7820   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7530   -1.5670   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730    0.4330    2.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550    1.2110    1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  1   1  -1
M  END
$$$$
RDZ27
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
   -1.6110   -1.9030    2.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620   -1.5990    1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210   -2.4730    0.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110   -2.0890   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.3820    0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -0.4070   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720   -1.6420   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6730   -1.5680   -0.5550 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1570   -0.4660   -0.8530 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.1920   -2.6090   -0.1970 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9220    0.7680   -0.8650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    1.9660   -0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060    3.2630   -0.7600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260    4.0380   -0.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    3.3470    0.6100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050    2.0280    0.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    0.8640    0.9800 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6670    0.9050    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    0.8900    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860    0.1870    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.1260    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820    1.2850    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    1.2050    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130   -0.0440   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6280   -0.1620   -0.6190 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1400   -1.2130    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150   -1.1210    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370   -2.2120   -1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.8000   -1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360   -1.0630   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240   -2.5330   -0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -1.8530   -1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9390    0.7380   -1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770    1.4940   -0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420   -0.4230    2.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3870    2.2560    0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510    2.1110   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -2.1850    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -2.0240    0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ28
 OpenBabel09302314563D

 41 43  0  0  1  0  0  0  0  0999 V2000
   -0.8200   -1.5120    2.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -1.4330    1.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1120   -2.3990    1.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710   -2.3230   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4830   -0.3600    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140   -0.5720    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1910   -1.8920   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130   -2.0560   -1.7190 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8590   -3.0910   -2.1760 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8650   -1.0870   -2.2620 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3740    0.4940   -0.3230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    1.7710   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    2.9960   -0.2900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7330    3.9070    0.3110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    3.3690    0.9180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100    2.0180    0.7270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540    0.9870    1.1520 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6220    1.1360    2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    1.1070    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6130    0.8580    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    0.9520   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330   -0.0770   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280   -1.2950    0.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4950   -1.1850    1.8190 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.7360   -2.3600    0.0290 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8160    0.0070   -1.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870    1.1550   -1.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    2.2050   -1.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    2.1030   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650   -2.8400   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100   -2.8710   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -1.2960   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2210   -2.0110    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -2.7370    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9910    0.2940   -1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100    1.3830   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900    0.5640    1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5140   -0.8280   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8270    1.2340   -2.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    3.1060   -2.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    2.9240   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 29  2  0  0  0  0
 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ29
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.1440   -3.0200   -0.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -2.0830    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760   -2.2590    1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950   -3.5730    1.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960   -0.7080    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400   -0.3500   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -1.2980   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920   -1.0160   -0.7400 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2040    0.1860   -0.7700 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5870   -2.0120   -0.6190 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8120    0.9830   -0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060    1.9420    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    3.2990    0.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510    3.7280    1.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    2.7650    1.6130 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    1.6040    1.0920 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940    0.2680    1.1550 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2920   -0.0050    2.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    0.2900    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840    1.1460   -1.1990 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590   -0.2560    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3660   -0.2960    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2400    0.7870    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4880    0.7300   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8600   -0.4030   -0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9830   -1.4820   -0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7350   -1.4310   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850   -3.4910    2.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150   -4.2790    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -3.8640    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -1.2770   -2.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -2.3530   -0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7990    1.2140   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -0.7490    1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390    1.6760    1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1690    1.5730   -0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8320   -0.4440   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2700   -2.3600   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0390   -2.2640   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDZ30
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
   -0.2340   -1.2670    2.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120   -1.3030    1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330   -2.3840    1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200   -2.4540   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -0.2570    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090   -0.4440    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360   -1.7260    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3660   -2.0900   -1.2010 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8680   -1.1450   -1.8290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0900   -3.2290   -1.5410 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0160    0.6200   -0.1940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4470    1.8670   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930    3.0920   -0.5860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680    3.9910   -0.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9770    3.4450    0.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2230    2.1010    0.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.0530    1.0280 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1030    1.3240    2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    0.9100    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    1.1710   -1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    0.4950    0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    0.1890    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020    1.2040   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3080    0.8830   -0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7140   -0.4470   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130   -1.4600   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7090   -1.1450    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530   -2.8400   -0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -3.1820   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3430   -1.4890   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0180   -1.6830    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4880   -2.5660    0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7370    0.3750   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    2.2530   -1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    0.7070   -1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200    0.7950   -1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0410    0.3040    1.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7780    2.2400   -0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9320    1.6710   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -0.6950   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290   -2.4970   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0740   -1.9320    0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB01
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
   -3.5340   -1.7460    0.9930 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1000   -1.5940   -0.0880 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2930   -0.6910   -1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990   -0.5270   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4090    0.4950    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    1.6470    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5210    1.8260    1.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030    0.6830    2.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6190    2.5180   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150    0.5700    0.4880 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0240    0.7120    1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220   -0.6980    0.2090 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530   -0.9450    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.1100   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710   -2.8830   -1.1120 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650   -1.6050   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.5560   -1.1940 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760   -2.5100    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6700   -1.7440    1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.5960    1.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490   -0.1820    1.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390    1.7190   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.7790    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080    3.8240   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.8110   -1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    2.7590   -2.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    1.7160   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1840   -1.9850   -0.5020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.2560   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -1.2180   -2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.9030    3.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5170    0.5920    3.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -0.2450    2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880   -3.4030   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6940   -2.0450    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7930   -0.0120    2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    0.7170    1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610    2.8050    1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2840    4.6520    0.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    4.6240   -1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    2.7570   -3.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    0.9040   -2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  CHG  2   1  -1  28  -1
M  END
$$$$
SDB02
 OpenBabel09302314563D

 43 46  0  0  1  0  0  0  0  0999 V2000
   -3.7380   -1.0000    0.9220 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8820   -1.9520    0.1460 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9120   -1.9090   -1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980   -1.3990   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840   -0.1780   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    0.7290    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890    1.3350    1.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760    1.9650    1.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    1.1030   -0.7330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450    0.2920    0.3270 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1160    0.5560    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470   -0.8060    0.2450 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -0.6780    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770   -1.7900    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180   -2.9980   -0.6170 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420   -1.9720   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -2.2890   -0.9490 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230   -1.8300    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -0.7530    1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2040    0.3440    1.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8480    0.3990    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    1.4820   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    2.7820    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    3.0460    1.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850    3.8820   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780    3.6790   -1.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    2.4030   -2.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    1.3150   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6510   -2.9040    0.1750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4340   -1.2400   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840   -2.9180   -1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3270    2.2550    2.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960    1.2290    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8160    2.8240    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0440   -2.6780    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420   -0.7690    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640    1.1740    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2600    1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    2.4440    1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200    4.8680   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    4.5210   -2.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    2.2560   -3.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210    0.3220   -2.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDB03
 OpenBabel09302314563D

 43 46  0  0  1  0  0  0  0  0999 V2000
   -2.6170   -1.2740   -1.6270 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1330   -2.1360   -0.9110 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4570   -2.3720    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2020   -1.6390    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230   -0.3890    1.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540    0.2920    2.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460    1.6520    1.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470    2.4360    2.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -0.1600    2.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160    0.4390    0.9620 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5210    1.0270    1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3460   -0.4530    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   -0.0400    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030   -1.0640   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -2.5460   -0.3820 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -1.7610    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0780   -2.3440    0.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -0.8330   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3700    0.4280    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5430    1.4400    0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1870    1.2230    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990    1.3540   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600    0.8000   -1.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2620    1.6330   -2.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580    1.1170   -3.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9740    3.0010   -2.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2380    3.5260   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    2.7240   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -2.8590   -1.1080 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3260   -3.4670    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -2.0930    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    3.4610    2.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810    2.2210    3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220    2.2370    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030   -1.6100   -0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4240    0.6260   -0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    2.4190    0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450    2.0180    1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -0.2800   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930    0.1980   -2.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    3.6250   -3.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060    4.5870   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    3.1680    0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDB04
 OpenBabel09302314563D

 43 46  0  0  1  0  0  0  0  0999 V2000
   -3.9880   -1.1110    0.8050 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.4640   -0.8230   -0.2900 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4330   -0.0960   -1.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0610   -0.2500   -0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    0.5740    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400    1.8080    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2220    1.9160    1.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    0.7600    2.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950    2.7900   -0.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0440    0.3240    0.5860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0760    0.3470    1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230   -1.0250    0.1930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -1.5650    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -2.7470   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -3.1600   -1.3220 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2460   -1.7110   -0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800   -1.3830   -1.3530 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -3.4200    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350   -2.9150    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -1.7510    1.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340   -1.0630    1.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    1.3710    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    1.4930   -1.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420    2.4320   -1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    3.2490   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    4.1860   -1.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820    3.1650    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    2.2160    0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5890   -0.9580   -0.7560 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7700    0.9510   -1.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6170   -0.5630   -2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850    0.6940    2.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590    0.9590    3.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.1700    2.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150   -4.3290   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680   -3.4310    1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190   -1.3720    2.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -0.1550    2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.8550   -2.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5320   -2.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    4.2360   -2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020    3.8340    1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    2.1470    2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDB05
 OpenBabel09302314563D

 44 47  0  0  1  0  0  0  0  0999 V2000
    3.9290   -0.8580   -1.3550 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.2180   -0.3110 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5580   -0.8530    1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610   -0.7880    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    0.2620    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    1.5240   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150    2.1160   -1.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    3.3130   -1.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    2.0980    0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    0.1610   -0.5430 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2480    0.1900   -1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -1.1470   -0.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -1.5420   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -2.8190   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100   -3.5340    0.8430 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200   -2.0890    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -1.9580    0.9930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -3.3600   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2710   -2.6290   -1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9160   -1.3760   -1.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6680   -0.8200   -1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400    1.2910   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140    1.4460    1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    0.6370    2.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850    2.4630    1.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300    3.3510    0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2810    4.3690    1.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    3.2720   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820    2.2380   -0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030   -1.7700   -0.0330 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8060   -1.6380    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    0.0920    1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8920    3.5810   -2.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    4.0840   -0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460    3.1170   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6550   -4.3370    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2520   -3.0380   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320   -0.8230   -2.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030    0.1570   -1.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910    0.0750    1.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    2.5430    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080    4.3910    1.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810    4.0070   -1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380    2.1710   -2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
SDB06
 OpenBabel09302314563D

 44 47  0  0  1  0  0  0  0  0999 V2000
   -2.4080   -1.2480   -1.7450 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8200   -2.3080   -1.2630 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0740   -2.8280    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8800   -2.0410    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050   -0.9490    1.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -0.6020    2.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530    0.7000    2.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180    1.1820    3.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -1.2910    2.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.0580    1.1150 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6250    0.4280    2.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180   -0.5850    0.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.0150    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880   -0.7640   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -2.2400   -0.9630 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -1.7850   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870   -2.4880   -0.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870   -0.3300   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3770    0.8900    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690    1.6630    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.2410    0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    1.1900    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780    0.8320   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870    1.7790   -1.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    1.4270   -2.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480    3.1290   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    4.1110   -1.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540    3.5030   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360    2.5210    0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -3.0450   -1.6290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8510   -3.8910   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470   -2.7910    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    2.2290    3.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8670    0.6240    4.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7670    1.0940    2.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020   -0.9180   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930    1.2450   -0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    2.6170    1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510    1.8530    1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830   -0.2120   -1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720    0.4240   -2.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140    3.7100   -2.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    4.5450    0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3320    2.8030    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
SDB07
 OpenBabel09302314563D

 47 50  0  0  1  0  0  0  0  0999 V2000
   -3.7280   -2.0520    0.3910 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2900   -1.3700   -0.4610 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3640   -0.2220   -1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -0.3950   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4030    0.1140    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190    1.0320    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370    0.6230    2.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810   -0.7630    2.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660    2.1870    1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.1330    0.7880 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0850   -0.3830    1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470   -1.2930    0.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7190   -1.9920    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -2.7990   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -2.7010   -2.1450 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330   -1.5840   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -1.1690   -1.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060   -3.5530   -0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290   -3.5250    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -2.7620    1.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.9950    1.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860    1.0950    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080    2.0720   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430    3.2300   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7600    4.2650   -1.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    4.3900   -1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    3.3930    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670    4.4960   -0.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8850    2.4100    0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    1.2690    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4380   -1.3710   -0.8870 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8040    0.7320   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -0.3260   -2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470   -0.9440    2.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410   -0.9120    3.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900   -1.4190    2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550   -4.1660   -1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400   -4.1070    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -2.7710    2.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720   -1.4260    2.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.9400   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    5.4140   -1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    4.2560   -0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870    3.6640   -2.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    5.1650   -0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490    2.5450    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    0.5180    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  CHG  2   1  -1  31  -1
M  END
$$$$
SDB08
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -3.8240   -0.8680    1.1110 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9370   -1.8790    0.4100 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9080   -1.9570   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980   -1.4450   -0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830   -0.2060    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4800    0.7660    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4270    1.4660    1.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6170    2.1840    1.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120    1.0920   -0.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710    0.2470    0.6990 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2020    0.3890    1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610   -0.8080    0.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230   -0.6070    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   -1.6690    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640   -2.9130   -0.4900 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610   -1.9590   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090   -2.3270   -0.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060   -1.6430    0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0810   -0.5530    1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    0.4890    1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020    0.4770    1.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530    1.5490    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720    1.6230   -1.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8880    0.4650   -2.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100    0.2800   -2.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670    2.8300   -1.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    3.9910   -1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710    3.9430    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870    2.7300    0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230   -2.8180    0.4800 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3800   -1.3340   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810   -2.9970   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380    2.5660    2.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4690    1.4860    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7650    2.9870    0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1370   -2.4500    0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1560   -0.5160    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    1.3310    2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    1.2940    1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940   -0.7660   -3.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    0.9620   -3.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740    0.4190   -2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5020    2.8470   -2.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    4.9380   -1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120    4.8550    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970    2.7030    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
SDB09
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
   -3.1320   -0.8710    0.0310 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9200   -1.9910   -0.4470 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8840   -2.8860    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860   -2.0700    0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700   -0.9160    1.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650   -0.5050    2.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.8520    2.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    1.2950    2.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5550   -1.1880    2.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680    0.0750    1.2910 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7320    0.4060    2.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790   -0.5740    0.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8850    0.0890    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110   -0.6640   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -2.1940   -0.7820 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -1.7830    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920   -2.5290   -0.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770   -0.1750   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300    1.0800   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170    1.8290    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    1.3490    1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    1.2560    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.0510   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -0.1240   -1.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570   -0.6560   -2.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610    2.0760   -1.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600    1.8610   -2.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1410    1.5150   -2.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    3.3340   -0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910    3.5670    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    2.5180    1.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -2.5060   -1.4660 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6840   -3.8070   -0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100   -3.1670    1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3170    2.3590    2.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5540    1.1170    3.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0700    0.7620    1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7930   -0.7450   -1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190    1.4780   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    2.8100    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270    1.9440    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -1.6830   -2.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.0920   -3.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -0.6920   -2.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240    1.1450   -3.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100    2.4020   -2.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700    0.7200   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8040    4.1190   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510    4.5500    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2580    2.6780    2.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 28  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
SDB10
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
   -3.2250   -1.4290   -0.3060 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8070   -2.3770   -0.9760 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7260   -3.2900   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -2.4130    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -1.3860    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640   -1.1740    1.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550    0.1620    1.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6040    0.4510    2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -1.9930    2.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570   -0.3420    1.2480 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5640   -0.2160    2.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300   -0.8050    0.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7950   -0.0410    0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -0.5690   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950   -2.0090   -1.1160 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960   -1.8650   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -2.6630   -0.5070 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0170    0.0410   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760    1.1920    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3030    1.7190    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    1.1140    1.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880    0.9660    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550    1.0380   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -0.0650   -1.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460   -0.3550   -2.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    2.2020   -1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510    3.3010   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580    4.5070   -0.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    4.5570   -2.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720    3.2760    0.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2610    2.0920    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0710   -2.7110   -2.1290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4280   -4.1070   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560   -3.7290    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6680    1.5340    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8080    0.1390    3.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -0.0680    1.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7800   -0.3570   -1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2380    1.6840    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    2.6240    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    1.5380    1.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.4330   -2.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720    0.2410   -3.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030   -0.2340   -2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940    2.2220   -2.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810    5.5690   -2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610    3.8080   -2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    4.4290   -2.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070    4.1510    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220    2.0410    2.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
SDB11
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
   -3.7350   -1.3940    1.0960 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7630   -2.4830    0.5130 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7090   -2.6210   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -1.9670   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3370   -0.6600    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080    0.2220   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340    1.0570    1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840    1.7010    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2530    0.3790   -0.9450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   -0.0490    0.5890 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2410    0.2170    1.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   -1.0340    0.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720   -0.7060    0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670   -1.7610    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050   -3.1650   -0.1380 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340   -2.2900   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2970   -2.7870   -0.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6270   -1.6130    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1070   -0.4060    1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2260    0.6330    1.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540    0.4980    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    1.2000   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080    1.1670   -1.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.0410   -2.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210   -0.5010   -2.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140    2.3380   -2.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    3.5710   -1.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.6010   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.8660    0.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120    4.9620    1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    2.4380    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4800   -3.4630    0.6820 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2110   -2.1300   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -3.6910   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620    2.1990    2.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770    0.9370    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9810    2.4060    0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3230   -2.4150    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720   -0.2730    1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.5680    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    1.3140    1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080   -1.5440   -3.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.0830   -3.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740   -0.4530   -2.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5580    2.2680   -3.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520    4.4970   -2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    6.0360    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370    4.6190    2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    4.4030    0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    2.4770    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 30  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
SDB12
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -3.6340   -0.4960   -0.4020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7220   -1.4880   -1.1360 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6060   -2.6090   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470   -1.9750   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -1.1700    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150   -0.9440    1.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    0.3690    1.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.7970    2.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430   -1.7680    2.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610   -0.3800    0.8850 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2570   -0.3320    1.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -1.1100    0.2470 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410   -0.9560    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960   -1.4850   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -2.2070   -1.7820 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -1.8310   -0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2380   -2.2450   -1.3120 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -1.4160   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070   -0.8360    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690   -0.3470    1.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840   -0.4040    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0200    1.0310    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210    1.4370   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    2.7250   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    3.6120   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    4.8430   -1.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140    5.7960   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9600    3.2380    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.9390    0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -1.7670   -2.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5210   -3.2270   -1.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410   -3.2350   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320    1.8710    2.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730    0.2840    3.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    0.5920    1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4320   -1.8050   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3830   -0.7710    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9080    0.0850    2.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400   -0.0380    2.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    0.7410   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410    3.0430   -1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    6.6640   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550    5.4430   -1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8330    6.0420   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670    3.9230    0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510    1.6510    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
SDB13
 OpenBabel09302314563D

 54 57  0  0  1  0  0  0  0  0999 V2000
    3.1210   -2.0000    0.4000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5490   -3.0170    0.7990 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4800   -3.6110   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -2.5740   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -1.3700   -1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -1.0690   -1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    0.1620   -1.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8340    0.3980   -1.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -1.6980   -2.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3290   -0.2530   -1.0860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4660    0.0920   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6610   -0.7590   -0.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    0.0430   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8530   -0.5930    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3850   -2.2050    0.7270 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400   -1.9920    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130   -2.8870    0.0860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640    0.0470    0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320    1.3350   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1930    1.9630   -0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710    1.3300   -1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280    0.8830   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    0.6550    1.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -0.5670    1.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.1270    2.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410    1.6490    1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830    2.9060    1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850    3.8010    2.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0330    5.0840    1.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220    3.1860    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    2.1490   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040    2.4680   -2.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    2.1500   -2.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570   -3.6230    1.8620 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0780   -4.5480    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -3.8480   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    1.3430   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    0.4620   -2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090   -0.4130   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8780   -0.4330    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730    1.8530    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3400    2.9690   -1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680    1.8280   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -2.1990    2.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990   -0.6960    3.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390   -1.0250    2.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    1.4560    3.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    5.5840    2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480    5.6090    1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    5.0050    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040    4.1500   -0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930    2.7090   -3.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    1.0680   -3.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    2.4660   -2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  2   1  -1  34  -1
M  END
$$$$
SDB14
 OpenBabel09302314563D

 54 57  0  0  1  0  0  0  0  0999 V2000
    3.5830    1.1830   -0.0210 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4970    1.7250   -1.1320 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.3720    2.8530   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110    2.2980   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    1.8070    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    2.0050    1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480    0.8850    2.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410    0.8110    3.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    3.0250    1.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560    0.9400    0.8870 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5180    1.0430    1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990    1.4150    0.0660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480    1.2060    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830    1.4530   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6400    1.9710   -2.1900 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.8850   -1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0390    2.2800   -1.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9520    1.2900   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5040    0.8920    0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6870    0.6740    1.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070    0.8290    1.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -0.5320    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -0.9280    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300   -2.2660   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -2.7360   -0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570   -1.7700   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080   -3.2220   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -4.5570   -0.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -4.8980   -1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7660   -2.8010    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890   -3.8040    0.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210   -3.4240    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150   -1.4710    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    1.5190   -2.1530 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3130    3.2010   -2.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    3.6880   -0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920   -0.1870    3.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    1.5970    3.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070    0.9100    2.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    1.4650   -1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5770    0.7570    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1400    0.3780    2.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780    0.6630    2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.1950    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810   -2.3830   -1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0120   -1.2880    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4810   -0.9950   -1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400   -5.9690   -1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -4.3460   -2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670   -4.7020   -2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5610   -4.3730    0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -2.6960   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0840   -3.0400    1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -1.1690    1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  2   1  -1  34  -1
M  END
$$$$
SDB15
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
   -4.1200    0.2740    0.8320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5890   -0.3730   -0.1090 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5910   -0.5320   -1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2240   -0.7020   -0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.1990   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2010    1.4780    0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    1.8240    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720    2.8190    2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    2.2480   -0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320   -0.0640    0.5520 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3550   -0.0400    1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550   -1.4190    0.2090 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -1.9450    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660   -3.2040    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720   -3.7170   -1.0540 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550   -2.2080   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980   -1.9240   -1.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400   -3.8680    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -3.2770    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -2.0370    1.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -1.3570    1.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660    0.9890    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    2.0310    0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    3.0080    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770    2.9070   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    4.0960   -1.1260 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    1.9000   -1.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400    0.9350   -1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6860   -0.8950   -0.2630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7330    0.4030   -1.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9520   -1.3690   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    2.8660    3.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170    2.4850    1.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170    3.7690    1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -4.8350   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -3.7850    1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5930    2.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630   -0.3900    1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830    2.0970    1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450    3.8250    1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    1.8600   -2.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0560    0.1410   -1.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDB16
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
    4.0480   -1.0030    0.6550 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2040   -1.8020   -0.2730 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1260   -1.6490   -1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -1.3580   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5270   -0.2760   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620    0.7330    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960    1.1350    1.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    1.8620    1.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620    1.2950   -0.6570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -0.0620    0.5740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3760    0.0060    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910   -1.2130    0.3500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -1.3090    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070   -2.4110    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -3.3320   -0.8190 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -2.2040   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020   -2.3130   -1.1770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110   -2.6520    0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090   -1.7920    1.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980   -0.7110    2.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850   -0.4550    1.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320    1.1980    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950    2.3620    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    2.4250    2.3800 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    3.5160    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130    3.5120   -1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430    2.3500   -1.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    2.3360   -3.4610 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540    1.2040   -1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0460   -2.6710   -0.4610 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1580   -2.5660   -2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.8170   -2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    2.0010    2.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060    2.8130    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320    1.2500    1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5740   -3.4940    0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6330   -1.9670    1.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3810   -0.0550    2.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380    0.3830    2.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    4.4140    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    4.3980   -1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    0.3170   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 42  1  0  0  0  0
M  CHG  2   1  -1  30  -1
M  END
$$$$
SDB17
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
   -3.9980   -1.2020    0.7670 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.4760   -0.8220   -0.3000 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4500   -0.0100   -1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -0.1920   -0.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130    0.6210    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880    1.8790    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980    1.9850    1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    0.7890    2.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440    2.8830   -0.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    0.3400    0.5950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0450    0.3630    1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080   -1.0140    0.1930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300   -1.5830    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140   -2.7740   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260   -3.1600   -1.3150 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -1.6900   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240   -1.3370   -1.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0820   -3.4750    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790   -2.9880    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -1.8150    1.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270   -1.1000    1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490    1.3720    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220    2.2090    0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    3.1440    0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    3.2110   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    4.0880   -1.3640 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    2.4040   -1.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    1.4820   -1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000   -0.9240   -0.7740 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7920    1.0360   -1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290   -0.4050   -2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040    1.0980    3.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430    0.4420    3.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -0.0000    1.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -4.3910   -0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -3.5260    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130   -1.4520    2.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.1860    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    2.1500    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    3.8010    1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450    2.4960   -2.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920    0.8500   -2.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDB18
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
   -0.7970   -3.4520   -0.5570 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0680   -4.0470   -1.2060 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.5800   -3.7060   -0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -2.3110   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -1.7910    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900   -2.6570    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590   -1.9850    1.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -2.8290    2.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -3.7370    2.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590   -0.3190    1.0280 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9820   -0.1520    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650    0.3870    0.3360 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    1.7280    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    2.2240   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    0.9750   -1.6730 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580   -0.2230   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -1.4640   -1.1180 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6110    3.5340   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950    4.3620    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610    3.8690    1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    2.5520    1.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740    0.2510    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -0.2510   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010    0.2920   -1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780    1.3440   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1600    1.9760   -0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6640    1.5470   -1.9210 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1710    1.8260    0.0980 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0830    3.3010   -0.9300 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2800    1.8290    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    1.2740    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -4.8560   -2.1200 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.9430   -1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820   -4.4250    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730   -2.1360    2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990   -3.3380    3.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220   -3.5590    1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.9260   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260    5.3950    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    4.5270    2.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.1750    2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640   -1.1150   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.1330   -1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7420    2.6320    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380    1.6330    2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
M  CHG  2   1  -1  32  -1
M  END
$$$$
SDB19
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
    4.0500   -1.5240    0.7740 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6830   -1.0640   -0.1810 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7680   -0.5760   -1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    0.0310   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -0.6070   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -2.0270    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720   -2.2610    1.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9670   -3.4870    2.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760   -2.9330   -0.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710    0.0720    0.5660 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5970    0.0050    1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    1.5170    0.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330    2.4080    0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070    3.6930    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    3.7590   -1.0440 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    2.0310   -0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430    1.3910   -1.2450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    4.7010    0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    4.4320    1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580    3.1660    1.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5660    2.1420    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8260   -0.5870    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -1.4650    1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640   -2.0670    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2340   -1.7960   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430   -2.4060   -1.0680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170   -3.6540   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5680   -1.4460   -1.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5770   -0.9370   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.3450   -1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880   -0.9370   -0.3620 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5800   -1.4990   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700    0.1010   -2.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -3.4390    3.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600   -3.5210    1.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4890   -4.3300    1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130    5.6900   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420    5.2120    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710    2.9770    2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    1.1570    1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -1.7010    1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1470   -2.7410    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500   -4.3390   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6200   -4.1440   -0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1630   -3.5210    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2670   -0.5440   -1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9040   -1.1330   -0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4170   -1.9000   -1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020   -0.7600   -2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530    0.3030   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  CHG  2   1  -1  31  -1
M  END
$$$$
SDB20
 OpenBabel09302314563D

 42 45  0  0  1  0  0  0  0  0999 V2000
    3.8690   -2.2360    0.7410 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5430   -1.9580   -0.2550 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6930   -1.3380   -1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.4640   -0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710   -0.8630   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   -2.2760    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300   -2.3800    1.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -3.6620    2.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890   -3.2420   -0.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    0.0770    0.6000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8800    0.0240    1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850    1.4760    0.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    2.5750    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140    3.7810   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    3.5090   -1.1900 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    1.7500   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290    0.8930   -1.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0210    4.9690    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350    4.9610    1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990    3.7740    1.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    2.5700    1.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -0.3100    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650   -1.0110    1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810   -1.3710    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3120   -1.0170   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250   -1.4790   -0.7040 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -0.3450   -1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580    0.0040   -0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380   -2.0910   -0.4850 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2890   -2.2250   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3940   -0.8320   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -3.5200    3.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -3.9290    2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180   -4.4050    1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540    5.9020   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    5.8860    1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    3.7900    2.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600    1.6490    2.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130   -1.3030    2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -1.9210    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -0.0930   -2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    0.5140   -1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDB21
 OpenBabel09302314563D

 41 44  0  0  1  0  0  0  0  0999 V2000
    2.5980    2.5270   -0.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    1.5650    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110    1.5730    1.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560    0.3370    2.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    0.4820    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8710   -0.4910   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670   -0.6690   -1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0340   -1.6210   -0.1070 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4200   -1.8330    0.9350 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1420   -1.9760   -0.4910 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9730   -1.4420   -1.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -1.4960   -0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -2.7170   -1.3420 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210   -2.0410   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0770   -0.9380    0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340   -0.2670    1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310   -0.7070    1.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700   -1.7920    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9130   -2.4670    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620   -0.6500    0.1310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280    0.5750    0.5010 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0770    0.6940    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100    1.7710   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820    2.4520    0.5960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2260    3.5040    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    3.9110   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    3.2060   -2.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4410    2.1200   -1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    0.0240    2.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770   -0.4710    2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    0.5780    3.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450    0.2660   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -1.1720   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240    0.5900    2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7380   -0.1940    2.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6850   -2.1130    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3420   -3.3130   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180    4.0260    0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660    4.7610   -1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    3.5070   -3.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030    1.5630   -2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 28  2  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB22
 OpenBabel09302314563D

 39 42  0  0  1  0  0  0  0  0999 V2000
    2.3480    1.8880    1.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2840    0.6860    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170    0.1460    2.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840   -1.2400    2.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210   -0.1390    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -1.1620   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530   -1.7740   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020   -0.8030   -0.7520 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0030    0.2010   -0.0410 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0480   -1.2050   -1.4260 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4810   -1.8400   -0.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -1.5690   -0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -2.3850   -1.2710 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -1.4020   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580   -0.5080    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0840    0.3570    1.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4720    0.3210    1.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2280   -0.5570    0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040   -1.4280   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -0.6390    0.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810    0.3950    0.7270 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2080    0.6070    1.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380    1.6330   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010    2.7540    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1190    3.7510   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360    3.3820   -1.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790    1.8180   -1.7170 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810   -1.3950    3.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9210   -1.4690    1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -1.8310    2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -2.2030   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -2.6190   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010    1.0430    2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9770    0.9920    2.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3090   -0.5630    0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2040   -2.1080   -0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    2.9070    1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    4.6900   -0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    3.9600   -2.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB23
 OpenBabel09302314563D

 46 50  0  0  1  0  0  0  0  0999 V2000
   -3.2580    1.6280   -0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930    1.0070    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240    1.3860    1.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6740    2.0810    2.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180   -0.0560   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330   -1.0690   -0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440   -1.2500   -1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3660   -1.3900   -0.3590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1780   -0.6790    0.6350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2770   -2.1650   -0.6290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9680   -2.0600   -1.1860 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -2.0360   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080   -3.1980   -0.8790 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290   -2.3760    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -1.2900    0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790   -0.5070    1.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -0.8150    2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650   -1.8830    1.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330   -2.6710    0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -1.1400    0.4480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340    0.0180    0.7650 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5820   -0.0730    1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    1.3130    0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630    2.4270    1.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    3.4650    0.7930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170    3.0190   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970    1.6650   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260    1.0000   -1.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    1.6580   -2.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    2.9820   -2.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720    3.6830   -1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470    3.0540    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090    2.1710    3.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690    1.4730    1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070   -2.1350   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5630   -0.3700   -2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620    0.3320    2.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -0.2110    2.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4890   -2.0990    1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680   -3.5000    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    2.5590    2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860    4.3880    1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -0.0130   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150    1.1540   -3.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5600    3.4560   -3.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    4.7020   -1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB24
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
    1.2890   -3.2830    0.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.2110    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -2.2240    2.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120   -1.0640    2.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730   -0.9280    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080   -0.5270   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -1.2360   -1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7420   -0.6630   -0.7620 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6110    0.0630    0.2220 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7370   -1.0580   -1.3570 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8770    0.6770   -1.4940 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    1.4540   -0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    3.0650   -1.6320 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    3.3010   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    2.1950    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010    2.1760    1.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3370    3.2690    1.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    4.3600    0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4680    4.3810   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    1.2030    0.2110 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -0.1390    0.8220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4750    0.0110    1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   -0.9420    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390   -0.6190   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -1.4710   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9780   -2.8550   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1060   -3.6530   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3750   -3.0760   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5140   -1.6960   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3880   -0.8930   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240   -1.4550    3.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220   -0.3500    3.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660   -0.6030    1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620   -1.1070   -2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640   -2.3140   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200    1.3260    2.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160    3.2730    2.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    5.2000    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4680    5.2380   -0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520   -1.8740    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390    0.2960   -0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -3.3050   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970   -4.7300   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2540   -3.7000   -0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5030   -1.2460   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960    0.1840   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  2  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB25
 OpenBabel09302314563D

 50 53  0  0  1  0  0  0  0  0999 V2000
    0.2450   -3.6810    1.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -2.5290    1.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.6990    2.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170   -2.3770    2.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080   -1.7730    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980   -2.3200   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120   -3.6000   -1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6780   -3.5440   -1.2330 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2760   -2.8560   -0.3950 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1100   -4.2050   -2.1700 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3010   -1.6230   -1.3600 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -0.4770   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9270    0.5190   -1.8970 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9110    1.7590   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390    1.4030    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    2.2550    1.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    3.4480    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4510    3.7970    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130    2.9490   -0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380    0.1600    0.2470 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.3490    1.0640 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6240   -0.3180    2.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1020    0.5480    0.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.1750    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    0.9190   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470    2.3070    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620    2.9640   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990    2.2070   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7270    2.9690   -0.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9220    2.2950   -0.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5420    0.8230   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150    0.1860   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5830   -1.5620    2.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6070   -2.9810    3.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -3.0080    1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770   -4.4400   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590   -3.8750   -2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    1.9900    2.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820    4.1260    2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    4.7350    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2820    3.2320   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240    1.4790    1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100   -0.8080   -0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    2.8790    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380    4.0390    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6510    3.1110   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2070    1.5700   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8180    1.8170   -1.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4240    0.2440   -0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320   -0.9060   -0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  2  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB26
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
    1.7650   -1.8320    2.4760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7030   -1.8590    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180   -3.0670    0.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3640   -3.3110   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380   -0.6510    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820   -0.3430   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -1.1620   -1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350   -1.9950   -0.1930 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8830   -1.3720    0.7990 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7770   -3.1370   -0.5840 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4670    0.9220   -1.2410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150    1.7870   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650    3.4210   -1.5340 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    3.7760   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    2.6900    0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630    2.7630    1.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    3.9240    1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    4.9930    0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680    4.9240   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450    1.6150    0.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.3200    0.9710 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9300    0.5260    2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -0.3640    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040   -0.1830   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480   -0.9430   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440   -2.3280   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240   -3.0580   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0950   -2.3690   -0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2270   -3.0540   -0.5640 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1320   -0.9930   -0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390   -0.2830   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100   -3.5360   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640   -2.4770   -1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -4.2050   -0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3530   -0.5470   -1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040   -1.8730   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160    1.9310    2.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5790    4.0010    2.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    5.8880    0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    5.7660   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -1.0900    1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3280    0.5390   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050   -2.8360    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9290   -4.1330    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0610   -0.4870   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9330    0.7940   -0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB27
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
    0.9570   -3.3160    0.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -2.5150    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370   -2.7750    2.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -2.0110    2.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   -1.2700    0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710   -1.2300   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -2.3600   -1.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310   -2.3850   -0.8970 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3640   -1.6450    0.0570 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8410   -3.1640   -1.5190 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0190   -0.0110   -1.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    1.0700   -1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350    2.7120   -1.7510 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390    3.4320   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    2.4490    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    2.8070    1.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880    4.1490    1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    5.1180    0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    4.7610   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    1.1650    0.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   -0.0650    0.8720 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7020    0.0400    1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760   -0.2950    0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070    0.3460   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330    0.0300   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7630   -1.3010   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1230   -1.5970   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0310   -0.5460   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8950   -0.9410   -0.3240 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320    0.7840   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700    1.0690   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.6570    3.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860   -1.0730    2.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -1.8240    1.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -2.3110   -2.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780   -3.3410   -1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950    2.0570    2.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820    4.4490    2.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180    6.1570    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150    5.5260   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -1.1010    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    1.1400   -0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -2.1100   -0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4510   -2.6350   -0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3550    1.5960   -0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9320    2.1040   -0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB28
 OpenBabel09302314563D

 48 51  0  0  1  0  0  0  0  0999 V2000
    1.6340   -3.1470    0.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860   -2.1570    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660   -2.3660    1.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3770   -1.2910    2.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -0.7910    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -0.2930   -0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160   -0.9590   -1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2650   -0.4760   -0.5630 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0810    0.1400    0.4850 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2890   -0.8220   -1.1380 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4290    0.9540   -1.3570 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    1.6500   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    3.2530   -1.5090 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    3.3320   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    2.1960    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    2.0500    1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3290    3.0380    1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200    4.1620    0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    4.3160   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    1.2990    0.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -0.0380    0.8340 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9720    0.1240    1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380   -0.9080    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160   -0.7080   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770   -1.6950   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -1.3840   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670   -0.0500    0.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    0.6920    0.6340 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4240    0.2750   -0.1600 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8220   -2.3550   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430   -3.6470   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860   -3.9750   -0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -3.0100   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850   -1.7980    3.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -0.6640    3.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400   -0.6940    1.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890   -0.7190   -2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8980   -2.0530   -1.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3780    1.1730    2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    2.9200    2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940    4.9150    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410    5.1940   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4230   -1.7950    1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710    0.1740   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8800   -2.0960   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1990   -4.4070   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930   -4.9940   -1.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470   -3.2640   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 32  1  0  0  0  0
 31 46  1  0  0  0  0
 32 33  2  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB29
 OpenBabel09302314563D

 46 49  0  0  1  0  0  0  0  0999 V2000
   -0.3640    1.9270    3.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490    2.1560    2.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    3.0780    1.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    3.2920    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    1.4460    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530    2.0260    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370    3.4550    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6560    4.0710   -1.0490 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0660    5.2160   -1.1910 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9870    3.3360   -1.7630 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7330    1.2120   -0.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -0.0690   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630   -1.2370   -0.8110 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350   -2.6020   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -2.1630    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220   -3.0840    1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   -4.4390    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -4.8730    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0900   -3.9520   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -0.7740    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660   -0.0440    1.1900 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3670   -0.3760    2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8190   -0.3560    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   -0.7680   -1.3850 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160   -0.3060    1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2910   -0.5400    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7880    0.4080   -0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0080    0.1880   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7310   -0.9760   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2340   -1.9210   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150   -1.7050    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    4.2060   -0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    3.4350   -0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440    2.4610   -0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    3.6880    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770    4.0660    1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550   -2.7520    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180   -5.1740    1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980   -5.9360    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -4.3050   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -0.0450    2.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140    1.3150   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3950    0.9220   -1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6810   -1.1480   -1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7970   -2.8280    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6240   -2.4430    1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDB30
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
    1.9100    0.4370    2.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    1.3220    1.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    2.3130    1.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8560    2.1340    2.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830    1.4830    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    2.5590    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600    3.6650   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    3.2030   -1.4590 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.9210    2.0780   -1.9090 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9180    4.0780   -1.7260 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1160    2.6730   -0.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    1.7250   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610    1.7370   -0.9290 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9560    0.1350   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -0.3520    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160   -1.6190    1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9800   -2.3760    0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1150   -1.8900    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1060   -0.6280   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530    0.5550    0.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930    0.2510    0.9320 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5000   -0.0860    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670   -0.8350    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6300   -1.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760   -1.8500    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280   -2.9060    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560   -4.2440    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -5.2530   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950   -4.9340   -1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700   -3.6010   -1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410   -2.5880   -0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    2.9810    1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010    1.1810    1.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    2.1700    3.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7020    4.0270    0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    4.5350   -0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280   -2.0060    1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060   -3.3680    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0100   -2.5010    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9940   -0.2660   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760   -1.4680   -1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.2700   -1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -0.4310   -1.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -1.9140    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -4.4920    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940   -6.2910   -0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -5.7220   -1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3320   -3.3510   -1.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -1.5400   -0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDT01
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    1.2980    3.7880    0.4390 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    2.1570    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    1.1630   -0.0420 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -0.1860    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -1.1630   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720   -0.7300   -0.6770 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9700    0.4740   -0.9020 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5710   -1.6550   -0.6020 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0930   -0.5510    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -1.9050    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.7760   -0.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220   -4.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2350   -2.2900    1.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    0.4650    1.1080 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2000    0.1950    2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110    0.4720    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2570   -0.2120    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760   -0.2490   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3520    0.3980   -1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030    1.0730   -1.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    1.1080   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.8150    1.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    1.4190   -0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -2.0930    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -1.4860   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -4.6340   -0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -4.5160    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -4.2090   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660   -0.7440    1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2640   -0.7880    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250    0.3690   -2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1790    1.5690   -2.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    1.6230   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9030    2.5450    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT02
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
   -1.0940    3.7370   -0.7500 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.0760   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5890    1.1610   -0.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330   -0.2020   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420   -1.0930    0.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840   -0.5340    0.8100 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6440   -1.4020    0.9120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8770    0.6920    0.9730 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1630   -0.6760   -0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2360   -2.0580   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -2.8920   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -4.2680   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430   -2.5050   -1.4760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8880    0.2560   -1.2320 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2180   -0.0950   -2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.2590   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -0.4720   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.5120    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    0.1780    1.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    0.9100    1.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    0.9320    0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960    1.6040    1.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    1.6250   -1.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020    1.5070    0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -1.4900    1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5110   -1.9900   -0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -4.7330    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620   -4.4140    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -4.6440   -1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540   -1.0450   -1.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790   -1.0920    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920    0.1430    2.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    1.4410    2.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    2.0670    2.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410    2.3040   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT03
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
   -1.4260   -3.7170    1.0630 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -2.0760    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260   -1.1590    0.3400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680    0.2140    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690    1.0480   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3020    0.5250   -1.5540 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4620   -0.7040   -1.6000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5930    1.4010   -2.3510 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3980    0.6730    0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    2.0610    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    2.8680    0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740    4.2410    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    2.5150    1.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -0.2690    1.4110 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9800    0.0710    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -0.2560    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170    0.5940    0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200    0.6690   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0810   -0.1080   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -0.9450   -1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9810   -1.7470   -2.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.0330   -0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -1.6390    1.5680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6470   -1.4980   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    2.1010   -0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    1.0630    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    4.6760   -0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    4.3570    0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240    4.6700    1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    1.2220    1.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    1.3410    0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360   -0.0560   -1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -1.5910   -3.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460   -1.6840   -0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7510   -2.3060    2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT04
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    1.4560    3.7580    1.0220 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210    2.1270    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790    1.2370    0.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5370   -0.1290    0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980   -0.9940   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -0.3640   -1.6580 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5920    0.8710   -1.6600 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0520   -1.1990   -2.3550 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4410   -0.6200    0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400   -2.0100    1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -2.8610    0.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110   -4.2460    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070   -2.4500    1.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070    0.3010    1.3590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9200   -0.0580    2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120    0.3180    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   -0.4410    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0470   -0.4750   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0090    0.2640   -1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640    0.2970   -2.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960    1.0180   -1.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930    1.0310   -0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800    1.6690    1.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010    1.6120   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -1.8030   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -1.5210    0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -4.7210    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -4.5170    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980   -4.4910    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -1.0370    1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9130   -1.0660    0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8000   -0.2850   -1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9030    1.5660   -2.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9010    1.5960   -1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    2.3140    2.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT05
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
    1.3660    3.7430    0.7470 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    2.0780    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    1.1760    0.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.1900    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600   -1.0640   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   -0.4820   -1.0840 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0120    0.7450   -1.2510 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8120   -1.3370   -1.2720 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4900   -0.6810    0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180   -2.0680    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180   -2.8930    0.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -4.2740    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -2.5270    1.6240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190    0.2340    1.3880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7450   -0.1260    2.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920    0.2300    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890   -0.5140    0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0600   -0.5670    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1030    0.1360   -0.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2100    0.1370   -1.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    0.8840   -1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.9040   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    1.5770   -1.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6100    1.5290 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    1.5370   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970   -1.4690   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040   -1.9570    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -4.7280   -0.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530   -4.4340   -0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -4.6470    1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260   -1.0860    1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9040   -1.1520    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280   -0.4270   -1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920    1.4080   -2.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680    2.0420   -1.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480    2.2780    1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT06
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
    0.1480    4.4250   -0.4880 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    2.8100   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370    2.0830   -0.6160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110    0.7890   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0090    0.2580   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6840   -1.1710   -1.5400 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7860   -1.8120   -1.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4110   -1.3950   -2.4970 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0440    0.1850    0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230   -1.1440    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620   -1.3390    1.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390   -2.7010    1.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -1.9350    1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    0.7870    1.2860 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2500    0.6870    2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860    0.1460    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050    0.4580    1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990   -0.0710    0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8510   -0.9180   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9640   -1.4870   -0.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -1.2470   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410   -2.0640   -1.9450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360   -0.7180   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870    2.2400    0.9790 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580    2.5050   -1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    0.0010   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560    0.9000   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300   -2.6580    1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880   -3.2820    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6170   -3.0970    2.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320    1.1090    2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8430    0.1710    1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7780   -1.2280   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310   -2.4220   -2.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4770   -1.0190   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0740    2.7470    1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT07
 OpenBabel09302314563D

 39 40  0  0  1  0  0  0  0  0999 V2000
    1.0310    3.6290    1.9790 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    2.0270    1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    1.6870    0.1820 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7330    0.3630   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030    0.2090   -1.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    0.8620   -2.5970 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8180    1.9460   -2.2220 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1120    0.2280   -3.6220 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3820   -0.6450    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490   -2.0060    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.1810   -0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370   -3.5130   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820   -2.9350    1.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.3570    1.7480 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5290   -1.0410    2.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460   -0.5270    1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790   -1.2350    1.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2810   -1.4050    1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270   -0.8710    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750   -0.9990   -0.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -0.1550   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1290    0.3130   -1.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540    0.9370   -2.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990    0.0160   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    1.0360    2.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    2.3990   -0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610   -0.8430   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    0.7230   -1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -3.4250   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190   -4.1700   -0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7650   -3.8680    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -1.6760    2.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -1.9580    2.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4590   -1.5280    0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440    1.1930   -3.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    0.2450   -2.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360    1.8390   -2.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650    0.5720   -0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700    1.2470    3.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT08
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    2.0780   -3.3190   -1.1040 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -1.8250   -1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -0.6710   -0.6850 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.5790   -0.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    1.6930   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870    1.4060    1.1080 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4100    0.2800    1.1740 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8680    2.3160    1.9210 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0240    0.6800   -1.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950    1.8960   -1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    2.8730   -0.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450    4.0830   -0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200    2.0820   -2.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -0.5440   -1.3970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3960   -0.3950   -2.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -0.7690   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -0.7470   -0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1260   -0.8910    0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6780   -1.0480    1.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150   -1.0690    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4030   -0.9330    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610   -0.9680    1.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890   -0.8790    2.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -1.7440   -1.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.7390   -0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380    2.6600   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    1.8470   -1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    4.6940    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1960    3.8930   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    4.5410   -1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650   -0.5920   -1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1880   -0.8700    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3970   -1.1530    2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720   -1.1840    3.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740   -0.8130    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660   -1.7760    3.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    0.0380    2.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4970   -2.5980   -1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT09
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -3.5020    1.5650   -1.8370 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    0.5370   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    0.0830    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.8810    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680   -1.1410    1.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2070    0.2570    2.6630 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1170    1.0610    2.4010 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2190    0.3800    3.3710 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5050   -1.4830   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160   -2.7140   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -3.3760    0.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5680   -4.5720    1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -3.2080   -1.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -0.7760   -1.7500 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0380   -1.5250   -2.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    0.0150   -1.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -0.4850   -2.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    0.0790   -1.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400    1.1120   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    1.6170   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.6390    0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060    2.1350    2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100    1.1250   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    1.5990   -0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340    2.6460    0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300    0.0760   -2.1670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7200    0.6720    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550   -1.8070    2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130   -1.5840    2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -4.9030    2.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390   -4.3600    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -5.3050    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.3590   -2.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140   -0.3130   -2.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870    1.5260   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290    3.0360    2.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870    1.6670    2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8080    1.4220    2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.8310    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    3.5280    0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    2.2870    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870    0.4560   -3.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT10
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -2.1040    3.5850   -0.9980 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420    1.9470   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270    1.0000   -0.3010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830   -0.3580   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8830   -1.2130    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280   -0.6690    1.9780 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2930    0.5440    2.0420 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8880   -1.4930    2.8680 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9420   -0.7800   -1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -2.1510   -1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -2.9290   -0.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040   -4.2800   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -2.6120   -2.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420    0.1980   -1.8020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1080   -0.1400   -2.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    0.2750   -1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -0.0360   -1.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950   -0.0260   -1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230    0.2940    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9790    0.2650    0.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1040    0.5330    2.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700    0.6070    0.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550    0.5960    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    0.9020    0.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    1.0560    2.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.5450   -1.8710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9900    1.3120    0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5510   -2.2630    0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9100   -1.2270    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -4.6920    0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -4.3220   -0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410   -4.7870   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.3120   -2.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6110   -0.2700   -1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830    0.4270    2.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510   -0.2060    2.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    1.5530    2.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010    0.8480    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100    1.2070    2.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370    1.9330    2.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870    0.1410    2.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060    2.2470   -2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT11
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -2.9290    3.1580   -0.8620 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    1.7610   -0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050    0.5140   -0.7140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450   -0.6620   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -1.8890   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2190   -1.8330    0.8920 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7420   -0.7350    1.1390 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1640   -2.8590    1.5490 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4230   -0.5900   -1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030   -1.7040   -1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -2.5400   -0.1580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -3.6440   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -1.8820   -2.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    0.7280   -1.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8070    0.7120   -2.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2730    0.9020   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.6960   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410    0.7330    0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    0.5360    0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -0.0290   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460    1.0000    1.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.2120    2.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720    1.1540    1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    1.4350    1.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950    0.5600    2.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    1.8560   -1.3850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210    0.4310   -0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480   -2.8200   -0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3670   -1.9940   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620   -4.1810    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -3.2900   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590   -4.2620   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    0.4680   -1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780   -0.2380   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    0.6960   -1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -0.9570   -1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    1.0270    2.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    1.4180    3.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.8740    2.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140    0.7050    3.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -0.4860    1.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    2.7770   -1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT12
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    1.6170    3.7430    1.2170 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    2.0980    1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    1.3230    0.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970   -0.0550    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790   -0.7870   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320   -0.0120   -2.1430 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3630    1.2250   -2.0600 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7550   -0.7470   -3.0260 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8710   -0.6750    0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280   -2.0950    1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6610   -2.8290    0.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490   -4.2390    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -2.6510    1.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    0.1250    1.5870 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2880   -0.3230    2.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.1180    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4780   -0.7410    1.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920   -0.7970    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720    0.0170   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1100   -0.1180   -1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480    0.5880   -2.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8680    0.8640   -0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570    0.9020   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3180    1.5130    1.7940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6170    1.7990   -0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -1.6460   -1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340   -1.2390   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3570   -4.6080   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700   -4.5770    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950   -4.5330    1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030   -1.3940    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840   -1.4620    0.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3690    0.2800   -2.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6460    0.2760   -3.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3050    1.6690   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050    1.4810   -1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540    1.5470   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110    2.0720    2.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT13
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
    2.3540    3.2800    1.7460 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910    1.7100    1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400    0.8340    0.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220   -0.4720    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030   -1.2650   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5300   -0.4970   -1.7200 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9240    0.6650   -1.5150 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4290   -1.1220   -2.7650 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.9210    0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090   -2.2660    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420   -2.8410   -0.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410   -4.1510   -0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830   -2.8650    1.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    0.0070    1.5870 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3780   -0.4840    2.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    0.3230    0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130    0.1690    1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460   -0.0980    2.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0340   -1.4750    2.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130    0.3620    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3610    0.7420   -1.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4980    0.8920   -1.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3440    1.2750   -3.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700    0.9420   -1.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990    0.7420   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    0.9380   -0.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210    1.2180   -2.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400    1.2680    1.9880 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    1.2070    0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330   -2.2610   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400   -1.4250    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390   -4.3960   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530   -4.1410   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -4.8380    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590   -1.5140    3.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1840   -2.1010    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490   -1.7720    2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6210    0.2310    0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3820    1.3180   -3.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7810    0.5170   -3.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720    2.2600   -3.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    1.2410   -2.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7280    1.2870   -2.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    2.1660   -2.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    0.3820   -2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590    1.9160    2.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT14
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
    2.4700    2.1400    3.2490 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    0.9860    2.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980    1.0570    0.7930 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850   -0.0090   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    0.2450   -1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780    1.5300   -2.0630 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1100    2.4590   -1.2550 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9840    1.4480   -3.2440 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7100   -1.1400    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7960   -2.4410   -0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930   -2.5070   -1.2520 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010   -3.7430   -1.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.4320   -0.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380   -1.0370    1.4360 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6310   -2.0330    1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6220   -0.5640    0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -1.2580    1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.8450    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0300   -1.6070    1.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3270   -1.4300    0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260    0.2520   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760    0.6670   -0.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5210    0.8790   -1.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    0.9450   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1410    1.9880   -1.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660    2.6150   -1.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120    0.5400    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -0.0640    2.4380 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    2.0160    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560   -0.5910   -2.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590    0.4690   -1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110   -3.5580   -2.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610   -3.9730   -2.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550   -4.5460   -1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   -2.1300    1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9070   -2.1990    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3240   -1.6110   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7110   -0.4300    0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5310    0.5220   -2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7810    0.3360   -2.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4390    1.9570   -2.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3850    3.3840   -2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3530    1.9070   -2.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620    3.0650   -0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    1.0910   -0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -0.1530    3.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT15
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    1.7810    3.7470    1.0550 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    2.1180    0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    1.2620    0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040   -0.1080    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -0.9340   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4510   -0.2580   -2.0280 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5390    0.9780   -2.0080 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8900   -1.0620   -2.8410 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8100   -0.6370    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840   -2.0370    1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040   -2.8500    0.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100   -4.2450    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930   -2.5110    1.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1850    0.2520    1.5220 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3890   -0.1350    2.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4800    0.2620    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -0.5400    1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.5780    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270    0.1960   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3040    0.1650   -1.5900 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890    0.9870   -1.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.0110   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    1.6240    1.6700 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    1.6680   -0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200   -1.7800   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820   -1.4100   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -4.6870    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -4.5500    0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920   -4.4930    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180   -1.1640    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5530   -1.2050    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8880    1.5700   -2.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600    1.6110   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790    2.2390    2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT16
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    2.0870    3.6330   -0.6090 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    2.0280   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430    0.9860   -0.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -0.3310   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   -1.3430    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010   -1.0730    0.1240 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7470    0.1170    0.1790 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0740   -2.0830   -0.0300 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6280   -0.6270   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060   -1.9320   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820   -2.7710    0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -4.0730    0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -2.2850   -1.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010    0.4210   -1.1290 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5870    0.1500   -2.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    0.4730   -0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    0.1120   -0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9170    0.1360   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150   -0.3030   -0.7620 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040    0.4940    1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830    0.8340    1.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    0.8110    1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580    1.1860    1.8430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3230    1.7540   -1.1820 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    1.1770    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -2.3460   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260   -1.4680    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380   -4.5670    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0860   -4.5750   -0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -4.0120    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -0.2210   -1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8160    0.5030    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340    1.1050    2.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890    2.5230   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 24 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT17
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    1.4460    3.7400    1.1030 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0090    2.1150    0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620    1.2430    0.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280   -0.1240    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -0.9690   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900   -0.3140   -1.7470 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4920    0.9220   -1.7260 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9010   -1.1300   -2.5030 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4430   -0.6330    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680   -2.0270    1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -2.8580    0.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9050   -4.2470    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7900   -2.4840    1.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6110    0.2750    1.3700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9350   -0.1000    2.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8080    0.2990    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220   -0.4780    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0320   -0.5040   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860    0.2590   -1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0430    0.2500   -2.0500 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8820    1.0280   -1.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7830    1.0340   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    1.6420    1.5680 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    1.6330   -0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650   -1.8140   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -1.4460    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -4.7060    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0270   -4.5440    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600   -4.4870    1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9130   -1.0920    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8980   -1.1110    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8680    1.6000   -2.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940    1.6130   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    2.2700    2.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT18
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    2.3770    3.7220    1.0880 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300    2.1000    0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    1.2830   -0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950   -0.0900   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710   -0.8660   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.1400   -2.3970 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6250    1.0950   -2.3380 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7510   -0.9060   -3.3230 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4210   -0.6590    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.0680    1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1880   -2.8350    0.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -4.2380    0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740   -2.5820    1.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4950    0.1950    1.6490 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4020   -0.2250    2.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740    0.2080    0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660   -0.6350    1.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -0.6630    0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3870    0.1560   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7590    0.1130   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110   -1.0840   -1.2810 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7320    0.4100    0.0640 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9860    0.9420   -1.8230 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920    0.9800   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340    1.0020   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    1.5690    1.7830 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070    1.7220   -0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130   -1.7700   -1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -1.2510   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -4.6410   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   -4.5830    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340   -4.4900    1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460   -1.2970    2.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8900   -1.3280    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740    1.6060   -1.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.6360   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920    2.1480    2.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT19
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    2.1380    3.7360    0.9930 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.1050    0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    1.2540   -0.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -0.1150   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -0.9380   -0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4950   -0.2550   -2.2540 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6130    0.9790   -2.2220 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8410   -1.0520   -3.1180 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1370   -0.6480    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -2.0480    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -2.8620    0.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790   -4.2570    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -2.5290    1.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.2400    1.6400 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1200   -0.1560    2.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    0.2710    0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630   -0.5320    1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4150   -0.5590    0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630    0.2220   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990    0.2010   -0.7580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3470   -1.1090   -1.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3260    1.3030   -1.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390    1.0170   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870    1.0350   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    1.6080    1.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330    1.6610   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060   -1.7630   -1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670   -1.4430   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.6980   -0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570   -4.5500    0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920   -4.5190    1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650   -1.1640    2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2080   -1.1730    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1340   -1.9130   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7970   -1.3310   -2.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4270   -1.1320   -1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0800    2.2650   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4130    1.2980   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8120    1.2520   -2.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    1.6120   -1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900    1.6440   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    2.2250    2.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT20
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    2.3770    3.7530    0.9990 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    2.1190    0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    1.2810   -0.0450 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -0.0920   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -0.8970   -1.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -0.1990   -2.2930 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8250    1.0380   -2.2670 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.9890   -3.1590 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4470   -0.6430    0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2710   -2.0480    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280   -2.8430    0.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -4.2410    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -2.5410    1.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220    0.2260    1.6440 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4390   -0.1740    2.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530    0.2250    0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8440   -0.5980    1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1090   -0.6460    0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3510    0.1400   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850    0.0920   -0.9680 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    0.9510   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    0.9860   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350    1.6040    1.7500 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    1.7030   -0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290   -1.7470   -1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960   -1.3680   -0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260   -4.6660   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -4.5580    0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840   -4.4970    1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6210   -1.2320    2.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8740   -1.2940    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.5480   -1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    1.6050   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5870    2.2050    2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
$$$$
SDT21
 OpenBabel09302314563D

 33 34  0  0  1  0  0  0  0  0999 V2000
   -0.3700   -2.8270   -1.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -2.0200   -1.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8120   -2.4020   -0.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -3.7880   -1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290   -0.6110   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -0.1000   -1.1030 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4180   -0.6210   -2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0450   -0.3370    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330   -0.1570   -0.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2900   -0.3440    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020   -0.7180    1.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670   -0.8950    2.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680   -0.7010    1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0040    1.3490   -1.3820 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900    0.2370   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730   -0.2080    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    0.6220    1.6020 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9140    1.8480    1.5090 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5700   -0.0530    2.4890 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0670    1.6050   -0.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380    2.1700   -0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1610    3.8430   -1.1060 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   -3.8690   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990   -4.0930   -2.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -4.3740   -0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3170   -0.1850    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990   -0.8620    2.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -1.1790    3.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150   -0.8320    1.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540    1.7360   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970   -0.1260   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.2720    0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620    2.2360    0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 21  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDT22
 OpenBabel09302314563D

 31 32  0  0  1  0  0  0  0  0999 V2000
    0.2130    2.9180    0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880    2.0230   -0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600    2.2050   -1.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430    3.4480   -1.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550    0.6760   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -0.3980   -0.8620 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3920   -0.1750   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330   -0.4940    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -0.1910    1.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580   -0.4020    2.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460   -0.8660    1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4810   -1.0480    0.0520 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200   -1.7210   -1.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4740    0.3880   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.3960   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360    0.9950    0.9900 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9700   -0.1990    0.9690 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0530    1.9240    1.6630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9050   -0.9360   -0.3890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -1.9830   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480   -3.5760   -0.8320 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    3.3740   -2.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    3.5620   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    4.2720   -1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    0.1860    1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260   -0.2020    3.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8120   -1.1020    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -2.4920   -1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070    1.5920   -1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200    2.3710    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9030   -1.1420   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 20  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
SDT23
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
   -1.4130   -3.2200   -1.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -2.2860   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -2.5080   -1.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -3.8650   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180   -0.8780   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.0880   -1.1930 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7990   -0.3170   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170    0.3940   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630    0.6710    1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8910    2.1220 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8240    0.7420    1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510    0.4270    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    0.2140   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    0.3230   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260    0.6400    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620    0.8520    1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370    1.3540   -1.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -0.3850   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -1.1410    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -0.4980    1.9790 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0590    0.7380    1.9860 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4010   -1.2840    2.8870 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.9750   -0.4060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090    1.8240   -1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    3.3760   -1.5910 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -3.8060   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -4.3000   -2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550   -4.4340   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570    0.7250    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010    1.0930    3.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920   -0.0430   -1.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720    0.1600   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1790    0.7160    1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280    1.0920    2.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.9510   -2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200   -2.2090    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0850   -1.1090    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    1.3840    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDT24
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    0.6640   -2.0790    0.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -1.7310   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -2.6090   -0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260   -3.9630   -0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -0.4010   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.6370   -0.7530 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0110    0.4910   -1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    0.5280   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630    0.4980   -0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7870    0.2830   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9770   -0.7490    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2370   -0.9670    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -0.1560    0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1230    0.8710   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8650    1.0900   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380    2.0060   -0.5200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1850   -0.1050    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   -1.0720    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6230   -0.9180    0.2960 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9970    0.2580    0.1890 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2060   -1.9690    0.0860 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6160    1.2260    0.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7830    2.2710   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    3.8880    0.1730 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700   -4.4740   -1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430   -4.3380    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800   -4.0510   -1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    0.4280    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    0.6030   -1.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300   -1.3850    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830   -1.7690    1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920   -0.3250    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9590    1.5030   -0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    1.8920   -1.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    2.7600   -0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -0.9290    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340   -2.1220    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720    1.3890    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 23  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDT25
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.3490   -2.3600   -2.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -1.8530   -1.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600   -2.5500   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -3.8970   -1.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180   -0.5120   -0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    0.3800   -1.7480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1880    0.1470   -2.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960    0.1080   -1.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.9610   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.5920   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    1.4250   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    1.0840   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840   -0.1030    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060   -0.3250    0.5280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270   -1.4660    1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1370   -0.9400    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8360   -0.5820    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4150    1.7960   -1.5560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5040   -0.0390    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860   -0.8840    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -0.4450    2.7610 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8560   -1.3730    3.5460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0120    0.7790    2.9550 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4990    1.3290    0.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260    2.2490   -0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2490    3.9150   -0.2100 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420   -4.2600   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -4.4600   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4170   -3.9320   -2.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -0.9060   -1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    1.9730   -0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    2.3470   -1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7950    1.7170   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9190   -1.3950    1.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5420   -2.3860    0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640   -1.4070    2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150   -1.8510    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990   -1.2200    0.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780    2.4540   -2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -1.9440    1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2810   -0.8870    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270    1.6610    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  22  -1  23  -1
M  END
$$$$
SDT26
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -0.0470    2.2200   -1.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    1.8770   -1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450    2.8100   -0.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580    4.1580   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    0.5330   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -0.5040   -1.5080 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2560   -0.1880   -2.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8330   -0.6860   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -0.0090   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950   -0.1060   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510    1.0550   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    0.9990    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5950   -0.2440    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540   -0.3110    1.6420 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690   -1.4180    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580   -1.3360    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1700   -1.7990   -1.5650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    0.1570    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160    1.1150    1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6990    0.5870    2.3050 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8970   -0.6340    2.3750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0300    1.4810    3.0750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6030   -1.1790    0.2050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -2.1360   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030   -3.6970   -0.7210 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3560    4.7120   -0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5990    4.2890   -2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710    4.4450   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830   -1.3590    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330    0.6990   -1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770    2.0120   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480    1.8980    0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -2.3710    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -2.2370   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8420   -2.4740   -2.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6670    1.7140    0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    1.8500    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -1.4730    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDT27
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    1.9920   -2.0740    1.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -1.6390    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -2.4320   -0.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450   -3.8180   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140   -0.2220    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280    0.6790    1.2890 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9340    0.4710    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    0.3580    1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860    1.0460    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850    0.6570    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0810    1.6410    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4190    1.2880    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7390   -0.0550   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5680   -0.5440   -0.3470 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720   -1.0520   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370   -0.6880    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    2.1080    1.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2600    0.2460   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300   -0.5430   -1.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620   -1.4260   -0.5180 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.2500   -1.5890   -1.0480 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6810   -1.8070    0.5440 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3580    1.6490   -0.7610 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6800    2.5570    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160    4.2290   -0.2890 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.2560   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080   -4.2120    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920   -3.9540    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390   -0.5420    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810    1.9360   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080    2.6890    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1870    2.0590    0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0370   -2.1000   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580   -1.4540   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    2.7720    1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -1.3100   -2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.0280   -2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270    2.0000   -1.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDT28
 OpenBabel09302314563D

 40 41  0  0  1  0  0  0  0  0999 V2000
   -2.2850    0.7820    3.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450    0.6450    1.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8210    1.2040    1.4540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4830    2.0310    2.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0080   -0.1220    0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -1.1040    1.3190 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1170   -1.3940    2.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460   -0.3670    1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.6230    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    0.3190   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170    0.2330    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9780   -0.8350    1.2920 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.7920    1.4100 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.0320   -0.7400    1.9110 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5950    1.1730    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2720    2.1950   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    2.2810   -1.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    1.3520   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400   -2.3270    0.4920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.0130   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6410    1.2110   -1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620    1.6670   -2.2200 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0690    0.7520   -2.9600 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0890    2.8230   -2.1140 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8040   -1.0470   -1.3340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860   -2.2690   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -3.6550   -1.7870 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3580    2.3880    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320    2.8590    2.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7740    1.4440    3.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.4920    1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150   -1.5070   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6030    1.1000    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230    2.9280   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220    3.0830   -2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970    1.4260   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740   -3.2050    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720    2.0650   -0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    1.0430   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440   -0.8200   -2.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 26  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
SDT29
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    0.1560    2.4360   -2.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7680    2.1000   -1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120    3.0410   -0.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    4.3910   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280    0.7550   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510   -0.2850   -1.5840 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0130    0.0180   -2.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210   -0.3960   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090   -1.5630    0.7210 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    0.3070   -1.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    0.3000   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020   -0.2950   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6620   -0.2890    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6630    0.3140    1.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010    0.9110    1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    0.9060    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.5870   -1.6580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560    0.3890   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040    1.3570    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640    0.8290    2.0150 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8280    1.6810    2.8780 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0320   -0.3550    1.9820 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5380   -0.9400   -0.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920   -1.9140   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -3.4690   -0.9530 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570    4.9540   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330    4.5610   -2.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    4.6310   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    0.9910   -1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -0.7680   -1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5660   -0.7580   -0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680    0.3150    1.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010    1.3770    2.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3670    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070   -2.2930   -2.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890    1.8630    0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370    2.1720    1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2920   -1.2210    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDT30
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
   -1.2440   -3.0390   -1.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   -1.9920   -1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -1.9300   -1.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -3.1600   -1.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290   -0.6850   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    0.4830   -1.3270 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0760    0.3120   -2.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840    0.6510   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610    1.0320    1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200    0.4100   -0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300    0.4360   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3470    1.3530   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5100    1.3580    0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6640    0.4460    1.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6510   -0.4710    1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -0.4780    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2660   -0.4910   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0260   -1.5390    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380   -1.1330    2.0840 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8120    0.0070    2.2030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0930   -1.9920    2.9130 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7840    0.7980   -0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460    1.8880   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960    1.7260   -1.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0170    3.3980   -0.6520 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -2.8890   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -3.5450   -2.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -3.8900   -1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.9830    1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    1.1450    1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800    0.2690    1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.1270   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2240    2.0660   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2970    2.0760    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700    0.4530    2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700   -1.1810    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6890   -1.1930    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140   -2.5170    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150   -1.7220    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410    0.9460    0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850    2.5130   -1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDU01
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    0.9240   -2.3510   -1.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820   -1.7980   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -2.5340    0.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -3.9360    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940   -0.3860   -0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260    0.4440   -1.2010 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2430    0.0140   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010    0.4080   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    1.1940    0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890    1.1240    1.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540    0.2640    1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   -0.5330    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.4620   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300    0.1940   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4320   -0.5940    0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410    0.0960    0.7050 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8380    1.3300    0.8370 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7820   -0.6890    0.7510 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4450    1.5660   -0.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340    2.4120   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    1.8280   -1.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    3.6200   -0.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -4.3110    0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6580   -4.3360   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -4.1610    0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720    1.8540    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950    1.7370    2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910    0.2090    2.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0560   -1.2160    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.1090   -1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290   -1.5100   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1410   -0.9630    1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300    2.0140    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    2.4550   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 34  1  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
SDU02
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
    0.7290   -2.1470   -1.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -1.6080   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -2.2750    0.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990   -3.6280    0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600   -0.2450   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6130    0.7690   -0.9360 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5850    0.7260   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    0.4910   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    0.8930    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630    1.6210    1.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850    0.5680    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6110   -0.1690    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.5740   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790   -0.2480   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130    0.0950    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220   -0.8830    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1350   -0.5470    0.1380 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4360    0.6570    0.1790 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8330   -1.5230   -0.1000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9840    1.4320    0.0810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    2.4610   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350    2.1360   -0.4890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4740    3.6240   -0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -3.9610    1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -3.6810    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -4.2050   -0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540    1.8660    1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080    0.8900    2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6130   -0.4350    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140   -1.1550   -1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -0.6000   -2.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   -0.9790    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -1.8990    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    1.6690    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010    2.8850   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU03
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
   -0.7540   -2.8490    0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270   -1.9160   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   -2.1270   -0.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600   -3.4460   -0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130   -0.5430   -0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    0.3710   -1.2050 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9580   -0.1060   -2.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030    0.6510   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    0.1520   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8630    0.4020    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410   -0.0560    0.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    1.1370    1.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    1.6210    1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220    1.3800    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590   -0.0800   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -0.9580    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340   -0.3690    0.9400 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9040   -1.2120    1.3880 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2970    0.8580    0.8350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0890    1.2350   -0.4250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600    2.1290   -1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810    1.6390   -1.6690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940    3.2860   -1.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -3.3930   -1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520   -4.1550   -1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -3.7110    0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1040   -0.4460   -1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2420   -0.6140   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.3100    2.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910    2.1870    2.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    1.7490    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090   -1.4470    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -1.8160   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    1.6080   -0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630    2.3260   -2.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU04
 OpenBabel09302314563D

 35 36  0  0  1  0  0  0  0  0999 V2000
   -0.5350   -2.4930    1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480   -1.8850    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960   -2.5760    0.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -3.9870    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -0.4600    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920    0.2810    1.4510 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8710   -0.2420    2.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940    0.2980    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -0.6060    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390   -0.6360   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9710    0.2530   -1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0240    0.2980   -2.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370    1.1550   -1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8420    1.1620   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040    0.2130    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770   -0.4790   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640    0.3550   -1.3260 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7470    1.5870   -1.1890 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5240   -0.3400   -1.9920 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6880    1.5780    0.3590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960    2.3270    1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010    1.6480    1.8330 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    3.5310    1.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -4.3140   -0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810   -4.2540   -0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -4.3940    1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650   -1.3140    1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7440   -1.3390    0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6970   -0.3890   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950    1.8180   -2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090    1.8420   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370   -1.1680   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620   -1.1320    0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    2.1080   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110    2.2140    2.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU05
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
   -0.1700   -2.8290    0.7870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.0310    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330   -2.5070   -0.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -3.9120   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950   -0.6160    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210   -0.1000    1.3590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8600   -0.8550    2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530    0.1730    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020   -0.7520    0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7180   -1.9360    0.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220   -0.4810   -0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320    0.7240   -1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8780    1.0790   -2.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    1.6390   -1.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940    1.3430   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050    0.2530    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060   -0.1500   -0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060    0.9810   -1.4330 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5490    2.1240   -0.9550 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2180    0.5710   -2.4110 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7080    1.5340    0.7320 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800    1.9990    1.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950    1.1170    2.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790    3.1190    2.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -4.0490   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -4.2180   -1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280   -4.4490    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7780   -2.3310    0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6230   -1.2020   -0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5760    0.3850   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8120    2.5500   -1.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590    2.0500   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -0.8490   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840   -0.7090   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    2.2310    0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    1.5040    2.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 36  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDU06
 OpenBabel09302314563D

 36 37  0  0  1  0  0  0  0  0999 V2000
   -1.3460   -3.0330    0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710   -1.8970    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360   -1.5870    0.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4880   -2.6280    1.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390   -0.7740   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0740   -1.0950   -1.3920 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1340   -2.1660   -1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   -0.8610   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    0.3110    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    0.5000    0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    1.6110    1.4900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520   -0.4740    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480   -0.3310    1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -1.6420   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -1.8290   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    0.5340   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    1.1220    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180    2.3390    1.3550 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8980    2.9480    0.5440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8020    2.5290    2.5460 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3260    1.4350   -1.3980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650    1.0610   -2.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160   -0.2500   -2.6030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780    1.8450   -3.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630   -2.1560    2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7660   -2.9510    2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720   -3.4740    1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6660    1.0830    0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010    2.2030    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    0.5190    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -2.3930   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -2.7530   -1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    0.4060    1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050    1.5330    0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050    2.4630   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260   -0.4740   -3.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 36  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDU07
 OpenBabel09302314563D

 39 40  0  0  1  0  0  0  0  0999 V2000
    0.5410   -2.2670    0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -1.8150   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290   -2.7670   -0.7000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5510   -2.3650   -1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370   -0.4050   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.3820   -1.2810 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1890   -0.2140   -2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.6620   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -0.3270   -0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -0.1690   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480   -1.0900   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940   -2.4420    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740    1.0040    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400    1.2190    1.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110    2.0060    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    1.8170    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    0.1900    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220   -0.4880    1.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1810   -0.2400    1.1960 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4760    0.9600    1.1030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8720   -1.2460    1.1320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1290    1.5350    0.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5730    2.2620   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    1.6170   -1.7030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860    3.4190   -1.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950   -2.1560   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -3.2500   -1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -1.4980   -1.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630   -1.2340   -1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -2.9640    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130   -2.8080   -0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820   -2.5410    0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    0.4100    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    2.9060    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200    2.5800    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -0.0810    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -1.5730    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470    1.8890    0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    2.2180   -2.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 39  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDU08
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -2.1280   -2.5070   -1.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860   -1.9430   -0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740   -2.6850   -0.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -4.0800   -1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050   -0.5470   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -0.1030   -0.9560 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0900   -0.6990   -1.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -0.2790    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930    0.2190    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480    0.8260   -0.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920    1.6650   -0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0710    1.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550   -0.5960    2.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8580   -1.0920    2.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240   -0.9320    1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900    0.3650   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590   -0.0270   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8590    0.9220    1.0590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5390    0.3450    1.8970 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6620    2.1370    0.8930 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5120    1.7090   -0.4530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820    2.2160   -0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540    1.3080   -1.3950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860    3.4160   -0.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450   -4.4610   -0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400   -4.2820   -2.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -4.4990   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1270   -1.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    1.0710   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020    2.4280   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    0.4570    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8020   -0.7190    3.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -1.6020    3.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -1.3240    1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950   -1.0540    0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8400   -0.0420   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    2.4030   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    1.6720   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 38  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDU09
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    1.4850   -2.6800    1.8100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -1.9880    0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7730   -1.5130    0.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8630   -1.8360    1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -1.5850   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180   -0.9730   -1.3990 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8350   -1.4880   -1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    0.4900   -1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170    1.3820   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230    0.9100   -0.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610    1.6720   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830    2.6140   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    3.4680    0.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480    3.2470    1.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150    3.0240   -0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970    2.1860   -0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5530    0.9130   -1.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330   -1.6630    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3780   -1.7590    1.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380   -0.5870    1.8030 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1910    0.2350    2.6750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3890   -0.6420    1.0050 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7870   -1.6210   -0.7620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -1.2970   -2.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -1.1540   -2.4360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3290   -1.2380   -2.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -1.3480    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980   -2.9210    1.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6930   -1.4320    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810    1.0370   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    2.6550   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340    1.7230    0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910    3.9010    2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    3.5340    2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110    2.1960    1.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    3.9930    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9320    2.5060   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    0.2300   -1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090   -1.6650    2.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070   -2.7060    1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970   -1.4480   -0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -0.6950   -3.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU10
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -0.2990   -2.1570   -0.7970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730   -1.8160   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640   -2.8510    0.5360 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980   -2.5450    1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.4460    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520    0.1930    1.3730 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1920   -0.3620    2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    0.1430    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    0.5040   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550    1.0780   -1.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    0.7470   -2.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430    0.3650   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   -0.1190    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3900   -0.3030   -0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8320   -0.0970   -1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.4530    1.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660   -0.3230    1.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460    0.2180   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -0.3920   -1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670   -0.1370   -0.8160 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0550   -1.1390   -0.6760 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6330    1.0640   -0.6630 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1880    1.5570   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890    2.2780    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490    1.5900    1.6610 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    3.4780    1.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570   -3.5150    1.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590   -1.8140    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210   -2.1830    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    1.1470   -2.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    1.2380   -2.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -0.3440   -2.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260    0.6270   -1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8950   -0.3620   -1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3090   -0.7660   -2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7130    0.9510   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4450   -0.8220    2.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -0.6100    2.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    0.0700   -2.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010   -1.4740   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    1.9520   -0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.1680    2.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU11
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
   -1.2960   -2.0570    2.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -1.6410    1.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0800   -1.5820    1.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8840   -1.9250    2.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830   -1.2180    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920   -1.4850    0.2270 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7390   -2.3050    0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850   -0.2360    0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -0.3020    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720   -1.5550    0.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100   -1.6120   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780    0.8040    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620    2.0330    1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    2.1150    1.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610    3.3610    1.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    3.5990    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770    0.9820    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950   -0.5700   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530    0.2000   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.6970   -1.3830 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7540    2.5740   -0.6060 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7820    1.7680   -2.4560 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7640   -0.5500   -2.0860 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -1.2420   -2.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -1.9330   -1.1130 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0160   -1.3020   -3.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9030   -1.7800    1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6660   -1.2600    3.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7080   -2.9650    2.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6040   -2.6540   -0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2110   -1.4060    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -0.9270   -1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580    0.7300    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4510    2.9200    1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430    4.6820    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090    3.0770    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900    3.3040   -0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140    1.0680    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800    0.2350    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760   -0.1760   -1.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990    0.2010   -2.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -2.2200   -1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU12
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -1.3940   -2.7540    0.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -2.0640   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780   -2.5930   -0.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -3.9100   -0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -0.7100   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   -0.1450   -1.5330 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1860   -0.8650   -2.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    0.1050   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -0.6330   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -0.4340   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330    0.5170    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740    0.6270    1.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    1.5090    2.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    1.2550    0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130    1.0350    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    0.0440   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950   -0.4880    0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1520    0.4310    1.4550 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9590   -0.1570    2.1680 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1270    1.6310    1.1340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2020    1.3310   -0.5430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040    1.9030   -1.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    1.1040   -2.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5860    3.0500   -1.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280   -4.1200   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900   -4.6040   -0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920   -3.9390    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050   -1.3880   -1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660   -1.0020   -0.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    1.3870    2.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4560    1.2000    3.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    2.5410    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550    1.9810    1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180    1.5900    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4570   -0.8560    1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910   -1.4020    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    1.9330   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    1.5770   -2.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 38  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDU13
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
   -1.0300    0.3870   -3.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070    0.3830   -2.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370    0.0390   -2.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710   -0.4060   -3.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270    0.7630   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    1.3570   -0.6460 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3090    1.8910   -1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290    0.3340   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920   -1.0360   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050   -1.3880   -0.1190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -2.7100    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -1.9320    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2510   -1.4370    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -2.4070    0.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430   -2.0000    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.0850   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4580    0.7690   -0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    2.1200   -0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.6900   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    0.6030    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110   -0.2270    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3710   -1.0630    1.8320 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2140   -0.3920    2.8630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5720   -2.2660    1.6940 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7230    1.2620    1.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320    2.1500    1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700    2.3860    0.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850    2.7630    2.6240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5220   -0.6610   -3.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8920   -1.2810   -3.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3670    0.3950   -4.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -2.6530    0.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -2.9200    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180   -3.4450   -0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680   -2.9870    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0650   -2.9480    0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7030   -1.3100    1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630   -1.5600   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    0.2830   -0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    3.7590   -0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020    2.3150   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    2.5090    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3950   -0.9450   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2270    0.3870    0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    1.0040    2.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    2.8680    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 46  1  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
SDU14
 OpenBabel09302314563D

 46 47  0  0  1  0  0  0  0  0999 V2000
   -1.5570   -2.1710   -1.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480   -1.3900   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -1.8240    1.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370   -3.1880    1.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680    0.0670   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740    0.5680   -1.3480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7770   -0.0390   -2.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.3820   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    1.3960   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    1.1580    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    2.2600    0.9800 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    2.0600    1.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920   -0.0910    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100   -0.3530    0.8370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5650   -0.3830   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -1.1140   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450   -2.2980   -0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -3.4130   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230   -0.8750   -0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960    0.8990    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5130    0.5100    1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -0.4240    0.6140 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1800   -1.2260   -0.1980 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.7730   -0.2060    1.0090 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4030    2.2860    0.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390    2.8300   -0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    1.9670   -1.7290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6470    4.0350   -1.1190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800   -3.3030    2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -3.8390    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1790   -3.3590    0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    2.3690    0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    3.0170    2.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070    1.8900    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050    1.2370    2.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4510   -0.5540    0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300    0.5700   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -1.2090   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -4.2510   -0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520   -3.3140   -1.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -3.5330   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790   -1.6610   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480    1.3430    1.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -0.1220    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620    2.9130    0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660    2.3890   -2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 46  1  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
SDU15
 OpenBabel09302314563D

 34 36  0  0  1  0  0  0  0  0999 V2000
    0.7930   -2.9110   -0.0610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620   -1.7730    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200   -1.5320    0.2670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020    1.4450    2.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.5190    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    0.5020    0.7480 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2850    0.5620    1.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.1250    0.3630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2540    0.0170    1.4750 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6330   -0.3090    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9210   -0.1620   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5210   -0.4710   -0.8800 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    0.2370   -1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    0.2830   -1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -0.1800   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4770   -1.1470   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190   -0.6800   -0.0270 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6310   -1.5670    0.4150 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1430    0.5320   -0.1850 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6840    1.1570   -0.4300 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    2.1540   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660    1.8370    0.2160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    3.2780   -0.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    2.1770    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620    1.7240    2.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0990    1.5500    2.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -0.6990    2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -0.6290    1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    0.4760   -2.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    0.5390   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980   -1.3000   -1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700   -2.1460   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980    1.4570   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940    2.4840    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  3  1  6  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  1  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU16
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
   -0.0900   -0.4410   -2.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260   -0.2620   -2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610   -0.7890   -2.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470   -1.5770   -3.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    0.4890   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.1740   -0.6700 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9100    1.5640   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    0.2120   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330    0.4830   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670    1.9410   -0.9030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9130   -0.3710    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180   -1.5610    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580   -1.8310    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670   -3.2900    1.7650 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790   -0.9770    0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    0.6150    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780   -0.1640   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -0.3140    1.2170 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7510   -1.2720    1.1780 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8560    0.5560    2.0910 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6950    1.4990    1.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060    2.3830    1.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920    2.3260    0.2300 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    3.2150    2.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890   -1.9120   -3.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -0.9680   -4.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530   -2.4220   -3.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9690   -0.1260    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -2.2510    1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -1.2270    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    0.2720   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -1.2020   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540    1.5520    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970    2.9220    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 34  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDU17
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    0.5020   -1.9660    1.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -1.3740    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1120   -2.0460   -0.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560   -3.3830   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    0.0650    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100    0.6890    1.1010 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3270    0.3160    2.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550    0.2780    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190    0.9690   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440    0.5700   -1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1680   -0.5400   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3390   -0.9260   -1.0140 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200   -1.2650    0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970   -0.8420    1.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    0.7930   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.2900   -1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -0.3940   -0.2540 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2640   -1.0500    0.6540 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9210   -0.1650   -0.5740 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3570    2.1890   -0.5600 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620    2.8800    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930    2.1540    1.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    4.0970    0.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -3.7060   -1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7510   -3.9910   -0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290   -3.3760    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7960    1.8220   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890    1.1050   -1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1210   -2.1390    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -1.4070    1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    1.0450   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -0.5220   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    2.7570   -1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160    2.6510    1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU18
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.6380   -2.6350    1.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -1.9540    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850   -2.5540   -0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020   -3.9710   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5020   -0.5190    0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    0.1250    1.7510 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4150   -0.4800    2.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480    0.1630    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7960   -0.8130    1.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330   -0.8150    0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220    0.1640   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6720    0.1420   -0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9300   -0.9720   -1.5630 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6860    0.2230   -0.0060 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9270    1.1200   -1.7440 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3710    1.1260   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1330    1.1210    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    0.2430    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940   -0.3380   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    0.6140   -1.9470 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0350    1.8290   -1.6970 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5790    0.0150   -2.8750 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4730    1.5940    0.3320 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    2.2410    1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260    1.4720    2.1570 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010    3.4310    1.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -4.2190   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -4.2760   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -4.4160    0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -1.5940    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640   -1.5830    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5720    1.8810   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800    1.8630   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430   -1.0670   -1.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.9280   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170    2.1980   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    1.9630    2.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 37  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU19
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    1.7060   -2.7050   -0.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -2.0370    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -2.6050    0.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2880   -3.9310    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -0.6710    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970   -0.1150    1.5450 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2010   -0.8090    2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520    0.0440    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010    0.9220   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340    1.0600   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5270    0.2990   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8120    0.3140   -1.0510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8100    0.8590   -2.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8350    0.9790   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3720   -0.5980    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -0.7210    1.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    0.1020    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960   -0.4340   -0.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4700    0.4810   -1.4480 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3350   -0.1240   -2.0720 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3940    1.6960   -1.2010 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4450    1.4110    0.4540 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    1.9920    1.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280    1.1780    2.1100 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710    3.1610    1.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490   -4.1720    1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550   -4.6000    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -3.9600   -0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    1.5010   -0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320    1.7570   -1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0330    0.3420   -3.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390    1.9440   -2.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7820    0.6320   -2.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8450    0.5200    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8270    0.8140   -0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6760    2.0610   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120   -1.2100    0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120   -1.4410    2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -0.7920   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7780   -1.3540   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    2.0230    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590    1.6490    2.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 42  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDU20
 OpenBabel09302314563D

 34 35  0  0  1  0  0  0  0  0999 V2000
    0.6770   -2.5990    1.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190   -1.9340    0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2550   -2.5560   -0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480   -3.9720   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -0.5010    0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520    0.1660    1.7460 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4770   -0.4140    2.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    0.1840    1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550   -0.7760    1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0040   -0.8030    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2760    0.1430   -0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9880    0.1240   -1.0180 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.0970   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010    1.1090    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    0.2390    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -0.3710   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710    0.5460   -1.9090 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1540    1.7680   -1.6990 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7560   -0.0830   -2.7850 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5170    1.5980    0.2810 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970    2.2730    1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770    1.5240    2.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290    3.4710    1.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -4.2400   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -4.2650   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040   -4.4110    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -1.5310    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320   -1.5580    1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670    1.8210   -1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.8390   -0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840   -1.0730   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110   -0.9990   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    2.1820   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    2.0370    2.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU21
 OpenBabel09302314563D

 33 34  0  0  1  0  0  0  0  0999 V2000
   -0.1610   -2.2570   -2.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -1.6960   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860   -2.4060   -0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590   -3.8190   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -0.2730   -0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    0.4670   -1.2020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4320    0.1180   -2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020    0.2130   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    0.5460   -0.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2270    0.3610    0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530   -0.1630    1.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6350   -0.4990    2.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410   -0.3100    1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590    1.9150   -1.3200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.3640   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260   -0.2950   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430    0.1940    1.0930 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3870    1.4190    1.2830 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9950   -0.6860    1.7370 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4120    1.7370   -0.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    2.5300   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170    3.7350   -0.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -4.1590    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -4.1490   -0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530   -4.1570   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2390    0.6470    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480   -0.3000    2.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840   -0.9040    3.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980   -0.5680    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930    2.4750   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -0.0600   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570   -1.3930   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090    2.1840    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 21  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDU22
 OpenBabel09302314563D

 31 32  0  0  1  0  0  0  0  0999 V2000
    0.6510   -2.4400    1.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -1.8250    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270   -2.5020   -0.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780   -3.9180    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530   -0.3950    0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890    0.3280    1.0290 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3340   -0.1070    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    0.1900   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    0.0790   -1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380   -0.0150   -2.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    0.0250   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    0.1720    0.3860 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7270    1.7580    1.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530    0.2830    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710   -0.4070   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9080    0.4270   -0.5460 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9310   -0.2470   -0.4820 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7780    1.6430   -0.7550 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3180    1.6560    0.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    2.4230    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010    3.6380    0.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -4.2350   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.2400    1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010   -4.2840   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380    0.0580   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -0.1080   -3.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2660   -0.0250   -1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5210    2.3220    1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8240   -1.2660    0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -0.8510   -1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710    2.1810   -0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 20  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
SDU23
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
   -0.2460   -2.9550   -0.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070   -2.1050   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -2.4790   -0.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -3.8620    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9770   -0.6880   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.2590   -1.1400 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8400   -1.0800   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810    0.0790    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    0.5760    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    0.7800    2.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660    0.4010    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120   -0.0500    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.5010   -0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -0.4870   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4210   -0.0320    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5220    0.4150    1.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420    0.9190   -2.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9590    0.2570   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    0.0140    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290    1.2230    1.2940 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0370    0.9000    2.4020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5250    2.3480    0.7790 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8030    1.5250   -0.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    1.8880   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6710    2.9900   -2.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6740   -3.9230    0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020   -4.1870    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410   -4.4460   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810    0.7960    1.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.1240    2.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3210   -0.8650   -1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -0.8350   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4850   -0.0380    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510    0.7610    2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    1.2480   -2.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0610   -0.1720   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -0.8800    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4740    2.2920   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU24
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -0.2350    2.0620   -1.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430    1.6530   -1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    2.5500   -0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    3.9160   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0220    0.2900   -0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990   -0.7040   -1.4690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1690   -0.3520   -2.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -0.8290   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -0.1060   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4440   -0.1490   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    1.0420    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2730    1.0220    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7560   -0.1850    1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0830   -1.3720    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300   -1.3570    0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340   -2.0240   -1.6220 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.1480   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7680    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    0.1350    1.5900 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2420   -1.1180    1.5520 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7660    0.9250    2.2540 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4020   -1.4780    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -2.4490   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -3.6250   -0.7040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    4.4330    0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    4.0860   -0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770    4.2130   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0620   -1.5050    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    0.6040   -1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430    1.9840   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7950    1.9490    1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6520   -0.1980    2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4560   -2.3130    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -2.2860    0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940   -2.7390   -2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    1.4390    1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5290    1.4510   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910   -1.7730    0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 23  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDU25
 OpenBabel09302314563D

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.7590    2.2930   -1.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    1.7630   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    2.5410   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    3.9350   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010    0.3630   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -0.5040   -1.6530 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8110   -0.0360   -2.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260   -0.6400   -0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490    0.1600   -1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    0.1020   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620    1.2950   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7030    1.2790    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2380    0.0460    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4670    0.1660    1.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0480   -1.0160    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5560   -1.1510    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080   -1.1110   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140   -1.8380   -1.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.2090    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5820    0.5730    0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -0.2110    1.9670 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6010   -1.4590    1.8170 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1190    0.4710    2.7900 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9730   -1.5560    0.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -2.4070   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6100   -3.5990   -0.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    4.3440    0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    4.1360    0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    4.3230   -1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780   -1.3940   -0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    0.9430   -2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0220    2.2420   -0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2570    2.1950    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9820   -0.6440    2.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4100   -1.4540    2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2590   -1.7350    0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9730   -2.0990    0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7610   -2.0400   -0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030   -2.4720   -2.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    1.2160    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350    1.2830    0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450   -1.9690    0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  22  -1  23  -1
M  END
$$$$
SDU26
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    1.8580    2.7990    0.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    1.9270   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580    2.2630   -1.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110    3.6290   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    0.5250   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -0.2770   -1.5280 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3850    0.2810   -2.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730   -0.5660   -0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230    0.0500   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600   -0.1670   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700    0.9320    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0600    0.7590    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170   -0.5360    1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550   -0.7140    1.7380 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -1.6510    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -1.4520    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210   -1.5510   -1.9390 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770   -0.0660    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    0.6830    0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880   -0.0770    1.8630 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7270   -1.2590    1.5630 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9830    0.6090    2.7490 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3880   -0.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -2.1630   -1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180   -3.3210   -1.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    3.6740   -1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    4.2590   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4590    3.9160   -0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660   -1.2740    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860    0.7910   -1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5560    1.9330   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6880    1.6100    0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9360   -2.6480    1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -2.3050   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -2.1430   -2.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7730    1.2370    1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    1.4890    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640   -1.8550    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU27
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
    0.8420   -2.0390   -0.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8890   -1.6140    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -2.5170    1.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -2.1000    1.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -0.2450    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    0.7740    0.9740 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6040    0.5680    2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.6770    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230    0.6750    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850    0.4500    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -0.6430   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8370   -0.8820   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8510   -0.0150   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6240   -0.3330   -0.7040 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6210    1.0750    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3240    1.3030    1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610    2.1440    0.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180    0.0980   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440   -0.8650   -1.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7900   -0.5980   -1.0130 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1320    0.5750   -1.2230 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4220   -1.5650   -0.6150 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7460    1.4320   -0.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570    2.4690   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    3.6370   -0.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970   -2.8720    2.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7400   -1.1110    2.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330   -2.1140    0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.5530   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240    0.8060    2.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -1.3120   -0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0320   -1.7330   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4250    1.7450    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200    2.1510    1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4460    2.8950    1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400   -0.7390   -2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090   -1.9180   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7100    1.6390   -1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDU28
 OpenBabel09302314563D

 40 41  0  0  1  0  0  0  0  0999 V2000
   -1.6200   -2.6910    0.4840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350   -1.8530   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430   -2.1250   -0.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -3.3650   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090   -0.5280   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7240    0.3260   -1.4130 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3480   -0.2410   -2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    0.8190   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850    0.4040   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870    0.8950    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510    0.1500    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1190   -1.2020   -0.1580 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2180   -1.4970   -0.6120 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1890   -1.9830   -0.0960 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.0170    0.6660    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9240    1.9420    1.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720    2.7020    1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    2.1890    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390    1.4960   -1.9520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030   -0.0440   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6580   -0.8450    0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990   -0.2320    1.4280 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7360   -1.0490    1.9660 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.1570    0.9940    1.2930 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2170    1.2230   -0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    2.0240   -1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730    3.1280   -1.6200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -4.1960   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9950   -3.3480    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060   -3.4060   -1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180    1.5170    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300   -0.3540   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150    0.0640    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7410    2.3490    2.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970    3.7030    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420    2.8020    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330    2.1020   -2.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850   -1.1670    1.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380   -1.8070    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010    1.6240    0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 26  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  23  -1  24  -1
M  END
$$$$
SDU29
 OpenBabel09302314563D

 38 39  0  0  1  0  0  0  0  0999 V2000
   -3.1750   -0.5150    2.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770    0.1360    1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    0.8420    2.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.7090    4.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    0.3260    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    1.4930    0.1990 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1560    2.3450    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970    1.0330    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630    2.2710   -0.7160 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -0.1250    0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870   -0.6820    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080   -0.0520    1.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670   -0.6320    0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -1.8380    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810   -2.4740   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210   -1.9050   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600   -0.5800   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -1.9890   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770   -2.8760   -1.0310 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8500   -3.6140   -0.3860 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6490   -2.6510   -2.2480 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1960   -0.1990   -1.7320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660    1.1170   -2.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    1.9930   -1.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050    1.4850   -3.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -0.3420    4.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    1.0870    4.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    1.3200    4.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400   -0.8130    1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.8860    1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400   -0.1410    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6870   -2.2830    0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860   -3.4190   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -2.4140   -0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190   -2.2610   -0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650   -2.2970    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1790   -0.9660   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930    2.9250   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDU30
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.1470   -2.2710    0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7430   -1.7630   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -2.6320   -0.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260   -2.1350   -1.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820   -0.3410   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1050    0.5210   -0.9410 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0040    0.1390   -2.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    0.4790   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450    0.7250    1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    0.1940   -0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800    0.0240   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7280    0.8810   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9900    0.6970   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110   -0.3440    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660   -1.2030    1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -1.0210    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700    1.9150   -1.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1620    0.1740    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450   -0.6320    1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6210   -0.2690    0.7070 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8740    0.9420    0.7810 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2950   -1.2130    0.3210 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3850    1.5470    0.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840    2.4340   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760    3.6360   -0.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260   -2.9570   -2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600   -1.2210   -2.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3990   -1.9660   -1.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370    1.5180    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290    0.9960    1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180   -0.1930    1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190    0.0290   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    1.6940   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8030    1.3670   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -0.4860    1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3390   -2.0160    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760   -1.6870    0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120    2.5820   -1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330   -0.4040    2.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9900   -1.7180    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3600    1.8720    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 24  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDZ01
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
   -0.4980   -2.8650    0.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390   -2.0680    0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360   -2.5960    1.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -1.7430    1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -0.6250    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    0.0010   -0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.6920   -1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.0550   -1.0660 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7040    1.1830   -1.1520 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5790   -0.8540   -0.8180 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1800    1.3940   -0.7390 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720    2.1260    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350    3.4700    0.3110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470    3.6150    1.2250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    2.4820    1.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5680    1.4980    0.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640    0.0610    0.9130 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9980   -0.2830    1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1230   -0.2270    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450    0.5040   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990    0.2000   -1.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4260   -0.8430   -1.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930   -1.5860   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420   -1.2800    0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.5530    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -2.3470    2.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400   -0.8080    2.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860   -0.5830   -2.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950   -1.7760   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    1.8460   -1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7950    1.3100   -1.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.7730   -2.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3230   -1.0810   -1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7240   -2.4120    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700   -1.8840    1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ02
 OpenBabel09302314563D

 36 38  0  0  1  0  0  0  0  0999 V2000
    0.4520   -2.3240   -1.6540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1600   -1.8650   -0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6420   -2.6680    0.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -4.0620    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.4630   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910   -0.0080    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190   -0.8670    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650   -0.2750    0.1890 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9940   -1.1110   -0.1310 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2640    0.9540    0.3270 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7370    1.3420    0.4660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7990    2.2360   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080    3.5970    0.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510    3.9410   -0.5080 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030    2.9170   -0.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    1.8070   -0.6760 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4020   -0.9480 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7810    0.2860   -2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    0.0330   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -0.3790   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970   -0.7340   -0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.6780    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740   -0.2820    1.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330    0.0640    1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060    0.4320    1.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9030   -4.5020    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -4.2790    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130   -4.3990   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7420   -1.0320    1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6730   -1.8740    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280    1.7040    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -0.4350   -2.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010   -1.0550   -1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   -0.9510    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050   -0.2350    2.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.5460    1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ03
 OpenBabel09302314563D

 36 38  0  0  1  0  0  0  0  0999 V2000
    0.1660   -2.4000   -1.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670   -1.8900   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -2.6620   -0.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420   -4.0600   -0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -0.4780   -0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5740    0.1130    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6980   -0.6550    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0570    0.0910    0.9670 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9930    1.3220    1.1110 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0190   -0.6590    1.0800 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.4800    0.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350    2.2630   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630    3.6200   -0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270    3.8260   -1.1840 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610    2.7210   -1.6040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980    1.6970   -1.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600    0.2590   -1.2010 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8340    0.0010   -2.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780   -0.1230   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600   -1.0750   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.4820   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160   -0.9440    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2180   -0.0000    1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3780    0.5760    2.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920    0.4210    0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7840   -4.4660    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -4.4350   -0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -4.2780   -1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880   -1.1350    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910   -1.4960   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    1.9450    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630   -1.5170   -1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -2.2260   -0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770   -1.2530    1.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.2390    3.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    1.1520    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ04
 OpenBabel09302314563D

 36 38  0  0  1  0  0  0  0  0999 V2000
    1.5750   -2.5550    1.7940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -1.7880    1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190   -2.1240    1.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8470   -3.4050    2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -0.4640    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010   -0.0620    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490   -0.9680   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.6750   -1.8530 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4790    0.5300   -2.1250 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5510   -1.6680   -2.5370 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1190    1.2810   -0.1060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    2.2070    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    3.5760    0.3700 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990    3.9540    1.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210    2.9430    1.3990 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    1.8120    0.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100    0.4110    1.1400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7840    0.2740    2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5490    0.1560    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020    0.6970    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8820    0.4720   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700   -0.3060   -1.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6770   -0.5850   -2.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.8530   -1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630   -0.6120   -0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390   -3.4650    2.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -3.4660    3.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -4.1830    1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   -2.0350   -0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890   -0.8800    0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200    1.5500   -0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360    1.3120    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8540    0.8930   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5160   -0.1360   -2.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010   -1.4450   -2.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3770   -1.0320   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ05
 OpenBabel09302314563D

 37 39  0  0  1  0  0  0  0  0999 V2000
   -0.1430   -2.0970   -2.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040   -1.7270   -1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020   -2.6290   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060   -3.9960   -0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -0.3670   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    0.0620    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100   -0.8370    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340   -0.2000    0.6840 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4410    0.9870    1.0470 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3660   -0.9830    0.5520 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9610    1.3650    0.5230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9850    2.2610    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400    3.6020    0.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    3.9690   -0.2080 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9050    2.9780   -0.7960 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.8720   -0.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410    0.4760   -0.9640 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6450    0.4290   -2.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    0.0300   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -0.5120    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240   -0.9010    1.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -0.7360    1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -1.0920    1.9450 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870   -0.2040    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440    0.1700   -0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    0.6760   -1.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930   -4.5220    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -4.2600   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190   -4.1920   -1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780   -1.4420    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800   -1.5720   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8710    1.7240    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080   -0.6410    1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030   -1.3210    2.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300   -1.4440    2.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0810   -0.0900   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    0.8210   -2.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ06
 OpenBabel09302314563D

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.1110   -2.8330    0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8210   -2.0060    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6160   -2.4700    1.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890   -1.5980    2.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600   -0.5750    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -0.0700   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -0.8760   -1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -0.2500   -0.8210 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3980    0.9640   -1.0610 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1340   -1.0340   -0.3530 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8570    1.2880   -0.9450 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    2.1320   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    3.4930   -0.2840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570    3.7770    0.5520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    2.7160    1.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.6410    0.6120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740    0.2150    0.8270 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3250    0.0380    1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190   -0.1160    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.7350   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420   -1.0380   -1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910   -0.7140   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3550   -0.9710   -1.3510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0160   -0.0880    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170    0.2400    1.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760    0.2170    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560   -2.1670    2.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510   -0.6490    2.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -1.4390    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630   -0.8660   -2.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -1.9350   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    1.6700   -1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870   -1.0090   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -1.5260   -2.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3340   -1.4130   -2.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9460    0.0120    0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.7240    1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ07
 OpenBabel09302314563D

 40 42  0  0  1  0  0  0  0  0999 V2000
    0.2550   -3.0020   -0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -2.2150    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2910   -2.7870    0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3610   -1.9630    1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800   -0.7560    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    0.0800   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940   -0.3680   -1.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9320    0.3320   -1.5830 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8720    1.5620   -1.4310 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8880   -0.4190   -1.6940 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5030    1.4780   -0.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890    1.9750    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480    3.2430    1.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    3.1360    2.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    1.9140    2.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    1.1270    1.5800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -0.2960    1.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0540   -0.8490    2.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -0.5090    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590   -1.6350    1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260   -1.8700    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530   -0.9720   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1850   -1.1290   -0.8990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2190    0.1690   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8490    0.9650   -1.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010    2.0820   -2.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    0.3890   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9060   -1.5760    0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950   -2.6630    1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220   -1.1480    1.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0820   -0.0810   -2.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.4620   -1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2730    2.0650   -0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -2.3570    1.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9840   -2.7540    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5970   -1.9780   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7940    2.5360   -2.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    1.7590   -2.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    2.7800   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700    1.2500   -0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ08
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
   -0.2820   -2.0600   -2.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -1.6030   -1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920   -2.3820   -0.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6370   -3.7460   -0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -0.2370   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7970    0.4990   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1920    0.0160   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9800    0.3560    0.8290 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6910    1.4590    1.3190 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7890   -0.4860    1.1830 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6740    1.8520   -0.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    2.4190   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    3.7050    0.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230    3.7140   -0.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730    2.5490   -0.5860 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    1.6870   -0.5810 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300    0.2300   -0.7900 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2720    0.0130   -1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360   -0.4240    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620   -0.6590    1.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4210   -1.2420    2.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630   -1.6030    2.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -1.3880    1.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780   -0.8050    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100   -0.7100   -0.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450    0.3630   -0.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560   -4.1510   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6570   -4.2300   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400   -3.8300   -1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720   -1.0750   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7910    0.4930   -1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    2.2960    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -0.3930    1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -1.4170    3.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -2.0570    3.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930   -1.6730    1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890    0.3220   -2.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1700    0.1960   -0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8480    1.3210   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ09
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
    1.6350   -2.2230    2.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -1.7760    0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -2.5200    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -3.8400    0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190   -0.4690    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4900   -0.0530   -0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010   -0.9390   -2.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3510   -0.4830   -3.0240 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4410    0.7060   -3.3740 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.3330   -3.3210 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5710    1.3010   -1.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    2.2140   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    3.5750   -0.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070    3.9340    1.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470    2.9160    1.9720 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    1.8040    1.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    0.4060    1.5640 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3230    0.2190    2.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    0.0890    1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290   -0.5960    2.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -1.0800    2.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580   -0.9360    1.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910   -0.2560    0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   -0.1350   -0.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640   -1.2260   -1.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.3260    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    1.0960   -0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    1.5140   -1.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -4.2530   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780   -4.3990    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -3.8150    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220   -2.0010   -1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450   -0.9050   -2.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330    1.6000   -2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -0.7840    3.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -1.5950    3.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2600   -1.3550    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010   -0.9420   -2.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010   -2.1560   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150   -1.3140   -1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810    2.2470   -1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840    1.9750   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030    0.6730   -2.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ10
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
   -1.1630   -2.1250   -1.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3580   -1.6030   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380   -2.3370    0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -3.6710    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2110   -0.1720   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9960    0.4920    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430   -0.0760    1.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010   -0.7720    0.4820 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7830   -1.2940   -0.5450 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3160   -0.6840    0.9780 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8490    1.8960    0.7180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    2.5700   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430    3.8990   -0.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    3.9980   -1.1540 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570    2.8520   -1.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    1.9120   -1.0870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470    0.4470   -1.2180 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3610    0.2010   -2.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -0.0780   -0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100   -1.0650   -1.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470   -1.5990   -1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -1.1260   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8910   -1.7160    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020   -1.3260    1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140   -0.1530    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660    0.3530    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    1.2790    1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660    1.8130    2.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1530   -4.0530    1.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -4.2380   -0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160   -3.6460   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5520    0.6360    2.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900   -0.9010    2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410    2.4260    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -1.4440   -2.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120   -2.3690   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070   -1.9430    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310   -1.5670    2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590   -0.2630    1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6100    0.1950    1.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060    2.5410    2.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    2.3240    1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.0340    2.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ11
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
    0.2210   -2.7870    1.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980   -2.2790    0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9740   -2.7530    1.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -3.7500    2.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -1.2400   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -0.4680   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -0.1370    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320    1.4510    0.5810 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7130    2.0790   -0.4440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4190    1.8550    1.6640 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7680    0.1110   -1.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850   -0.0890   -2.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160    0.0970   -3.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210   -0.3540   -4.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -0.8160   -3.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110   -0.6590   -2.0280 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -1.0150   -0.6110 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3470   -1.9520   -0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    0.1420    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7600    1.3480    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160    2.3910    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640    3.5970    1.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    3.7480    0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520    2.2670    1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    1.0690    1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    0.0190    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620   -1.1220    0.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040   -2.0710    1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -3.9510    2.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030   -3.3660    3.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510   -4.6420    1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8360   -0.5430    1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570   -0.4860    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3560    0.9920   -1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740    1.4840   -0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260    4.7670    1.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    3.0270    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460    3.6490   -0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    3.0980    1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450    0.9330    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760   -2.9560    0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -2.2900    1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7050    2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ12
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    0.7290   -1.6680    2.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0090   -1.4670    1.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360   -2.4950    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780   -3.8020    1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   -0.1890    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1390    0.1740    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920   -0.6820   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -0.6730   -1.7610 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5330    0.4390   -2.2990 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0290   -1.7430   -2.2100 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2390    1.4730   -0.3620 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    2.3830   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    3.7240   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430    4.1340    0.3860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    3.1710    1.0370 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940    2.0380    0.8110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170    0.6650    1.2390 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3210    0.6780    2.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510    0.1860    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530   -0.6930   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950   -1.1230   -1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6420   -0.6540   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6830   -1.1590   -1.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790   -0.6660   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    0.2270    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990    0.6430    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220   -4.4400    0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -4.0050    1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150   -3.9120    2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510   -1.7380    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2200   -0.3390    0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630    1.6390   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -1.0510   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -1.8040   -2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6060   -1.1830   -1.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0290    0.4180   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2730   -0.9440   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230    0.5920    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    1.3460    1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ13
 OpenBabel09302314563D

 47 49  0  0  1  0  0  0  0  0999 V2000
   -0.0910   -2.4190   -1.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -1.8600   -1.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.0220   -2.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -2.7600   -3.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -1.0640   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290   -0.1730   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    0.4140   -1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670    1.9480   -1.0050 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7530    2.2080    0.1110 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9990    2.7020   -1.9310 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5070    0.2040    1.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300   -0.2040    2.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950   -0.0760    3.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650   -0.7340    4.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -1.2660    3.2360 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5640   -0.9640    2.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100   -1.2730    0.6790 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3330   -2.3560    0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800   -0.3760    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610   -0.9230    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330   -2.2420    0.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690   -2.9540    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -0.1590   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350    1.2060   -0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4550    1.8510   -0.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3320    3.2370   -1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    1.8170   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400    1.0120    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840    1.4800    0.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900    2.8340    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -2.7360   -3.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120   -2.2750   -4.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -3.7840   -3.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.3480   -2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9110   -0.0990   -1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960    1.0050    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -3.9900    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7820   -2.8340   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -2.6430    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5280   -0.5870   -0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3410    3.4980   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    3.4020   -1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720    3.7990   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560    2.8720   -0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    2.9490    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2020    3.5320    0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.9520   -0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ14
 OpenBabel09302314563D

 47 49  0  0  1  0  0  0  0  0999 V2000
   -0.3440   -2.6790    0.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800   -2.0590   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2320   -2.8320   -0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260   -2.2240   -1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4450   -0.6010   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940    0.0360    0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0580   -0.6400    1.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6190   -0.3110    1.5880 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8530    0.9010    1.4700 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3650   -1.2770    1.6130 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5010    1.4240    0.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970    2.0830   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    3.3570   -0.9670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020    3.4560   -2.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7660    2.3610   -2.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1130    1.4470   -1.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590    0.1050   -1.1910 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5690   -0.4230   -2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.1470   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650    1.2270    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6800    1.1820    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0130    2.3260    1.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3130    2.4300    1.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4670    0.0390    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910   -0.0130    1.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -0.4330    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190   -1.0560   -0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -2.1390   -0.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760   -3.3830   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.9900   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0740   -1.9720   -0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8850   -3.0200   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210   -1.3440   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -0.2850    2.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260   -1.7350    1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940    1.7980    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    2.1170    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    3.4150    2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770    2.4100    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    1.6430    2.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    0.1840    0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5400   -0.2870   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450   -1.4930    0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350   -4.1140   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -3.4890   -1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810   -3.4780    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530   -1.8300   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ15
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
    0.4400   -2.1180    2.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5010   -1.8080    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.7860    0.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700   -2.4340   -1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930   -0.4900    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930   -0.2850   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   -1.3590   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.0140   -0.5200 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7350    0.1650   -0.7760 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1450   -1.9620   -0.1980 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3180    0.9930   -0.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230    2.0630   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    3.4120   -0.4180 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    3.9930    0.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    3.1330    0.9560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.8920    0.6720 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5960    1.0860 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0080    0.5700    2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140    0.3840    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    0.8860   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210    0.6340   -1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620   -0.1280   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5540   -0.4530   -0.8870 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780   -0.6450    0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2860   -0.3790    1.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -2.4320   -1.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -1.4690   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290   -3.2420   -1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030   -1.5400   -1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7050   -2.3210   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220    1.1500   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    1.4810   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.0290   -2.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2570   -1.2460    1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480   -0.7890    2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ16
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
   -0.7340   -2.2720   -1.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060   -1.9100   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260   -2.7730    0.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -4.1050    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   -0.5710   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210   -0.2550   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990   -1.2730    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490   -0.9340    0.1870 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8470    0.2710    0.2050 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2720   -1.9190    0.1320 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4330    1.0640   -0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    2.0600   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710    3.4240   -0.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170    3.9010   -0.9340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    2.9610   -1.2900 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290    1.7680   -1.0510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.4320   -1.0740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5520    0.2060   -2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060    0.3610   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6820   -0.1560   -0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8060   -0.2500    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2490   -0.8860   -0.6140 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8210    0.1420    1.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440    0.6420    1.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100    0.7350    1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    1.3110    1.8780 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4200   -4.5410   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220   -4.1160    0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   -4.6130    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670   -2.2270   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8360   -1.5340    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490    1.2980    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -0.5060   -1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7220    0.0580    2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170    0.9510    2.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ17
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
    0.1860   -2.2560    2.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790   -1.6060    1.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660   -2.0450    1.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460   -3.3230    1.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550   -0.3200    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520    0.3170    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940   -0.3440   -0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770    0.1100   -2.1450 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5980   -0.7470   -2.8420 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7610    1.2800   -2.4100 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5370    1.6760   -0.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160    2.3790    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590    3.7180    0.4830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400    3.8310    1.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    2.6800    1.6480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4840    1.7240    1.1130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860    0.2600    1.2300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8450    0.0050    2.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880   -0.2170    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -0.4990    0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9800   -0.9390    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170   -1.0850   -1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6970   -1.5060   -2.1280 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4740   -0.8110   -1.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4550   -0.3730   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950   -3.4830    1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960   -4.0820    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -3.3040    2.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760   -1.4470   -0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430   -0.1640   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    2.1130   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -0.3750    1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9590   -1.1600    0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2970   -0.9350   -2.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660   -0.1590   -1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ18
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
    2.4780   -2.5120    1.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330   -1.6760    1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -1.8270    2.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1480   -3.0170    2.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110   -0.4250    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -0.2240   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -1.2830   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520   -1.1950   -2.3940 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4900   -0.0430   -2.8340 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.2610   -2.9640 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8990    1.0550   -0.6180 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2160    2.1190   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600    3.4730   -0.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720    4.0360    0.6310 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    3.1580    1.2910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    1.9250    0.8780 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060    0.6090    1.3020 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6080    0.6120    2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    0.3920    0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590    1.0720    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0340    0.8780    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2170    0.0010   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6100   -0.1960   -0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4600   -0.6670    0.0530 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1970    0.9220   -1.2990 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7490   -1.0440   -1.8850 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -0.6670   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   -0.4680   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040   -2.9380    3.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050   -3.0480    3.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -3.8930    2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.3040   -0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   -1.2190   -0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.1610   -1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    1.7660    2.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8780    1.4120    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560   -1.3440   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -0.9990   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 37  1  0  0  0  0
 28 38  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ19
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
    0.3220   -2.0130    2.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300   -1.7220    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.6970    0.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -4.0320    0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -0.3880    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830   -0.0560   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910   -1.0600   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -0.5950   -1.4080 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5470    0.6030   -1.7210 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.5000   -1.5570 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3560    1.2580   -0.5590 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280    2.2480    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680    3.6140   -0.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    4.0800    0.8060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    3.1300    1.4220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280    1.9470    0.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    0.5870    1.3040 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1140    0.4900    2.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.3150    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510   -0.3410    1.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -0.6320    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6740   -0.2680   -0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9490   -0.6670   -0.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0630    0.0860   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0530   -0.6610   -2.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    0.3780   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.6580   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -4.6280    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -4.2320    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460   -4.2020    1.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680   -1.6190   -1.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3760   -1.8320   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840    1.5250   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230   -0.6500    2.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1380   -1.1640    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9880    0.0250    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0160   -0.3800   -0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860    1.1500   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2210   -1.2530   -2.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0430    0.3400   -2.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9900   -1.1660   -2.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    0.6700   -2.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    1.1500   -1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ20
 OpenBabel09302314563D

 35 37  0  0  1  0  0  0  0  0999 V2000
    1.4160   -1.5070    2.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440   -1.3960    1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810   -2.4470    0.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560   -3.6980    1.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660   -0.1880    0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.0590    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -1.1080   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850   -1.3060   -1.8950 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7760   -0.2410   -2.5300 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9190   -2.4610   -2.2630 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9210    1.1640   -0.5850 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    2.2360   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    3.5520   -0.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    4.1800    0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650    3.3800    0.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    2.1340    0.6920 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460    0.8720    1.2880 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5800    1.0080    2.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280    0.5350    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460    1.1560    1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.8620    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2450   -0.0560   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9920   -0.4740   -0.8670 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -0.6780   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780   -0.3730   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -4.3800    0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -3.6470    2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -3.9820    2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150   -2.0940    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6720   -0.8540    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    1.1490   -1.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    1.8870    2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890    1.3510    1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580   -1.3890   -1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.8600   -0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ21
 OpenBabel09302314563D

 34 36  0  0  1  0  0  0  0  0999 V2000
   -0.9270   -2.7580    1.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340   -1.9120    1.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070   -2.1990    1.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -3.5260    1.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600   -0.5340    0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050   -0.1070    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380   -0.9940    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410   -0.6400   -1.2740 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8120   -1.6000   -1.9290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5450    0.5780   -1.4940 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8860    1.2480    0.3030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990    2.1620    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100    3.5250    0.6870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270    3.8870    1.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160    2.8710    1.2550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990    1.7500    0.9480 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    0.3550    0.9260 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4620    0.1590    1.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350    0.1560   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    0.1230   -0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -0.0500   -1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4320   -0.1950   -2.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.1610   -2.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    0.0180   -1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -3.5280    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880   -4.2390    0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -3.7350    2.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5460   -0.9290    0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540   -2.0650    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290    1.5440   -0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9560   -0.0680   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320   -0.3300   -3.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650   -0.2740   -3.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080    0.0380   -1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ22
 OpenBabel09302314563D

 32 34  0  0  1  0  0  0  0  0999 V2000
   -0.1780   -2.7190    1.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -1.8050    1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2570   -1.9540    1.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230   -3.2450    1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920   -0.4820    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520    0.4930    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.2200   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740    1.1310   -1.4350 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8210    2.2860   -1.4760 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1070    0.5860   -2.1440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9630    1.8200    0.2050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800    2.1580    0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    3.3620    0.9860 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    3.0830    1.5080 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050    1.8070    1.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    1.1720    1.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970   -0.2710    0.8440 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3920   -0.8310    1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -0.6690   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070   -0.8060   -1.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840   -1.1950   -2.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -1.3510   -2.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360   -1.0210   -0.4060 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8100   -3.1460    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190   -3.4800    2.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -4.0010    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630    0.3390    0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8360   -0.8300   -0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5440   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660   -0.6470   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -1.3390   -3.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -1.6320   -2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ23
 OpenBabel09302314563D

 39 42  0  0  1  0  0  0  0  0999 V2000
    0.5130   -2.3770    2.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180   -1.6820    1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -2.0780    1.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150   -3.3640    1.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   -0.3880    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    0.2910    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420   -0.3140   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320    0.0500   -2.2520 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4600    1.1320   -2.4740 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5240   -0.7640   -3.0160 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9460    1.6750   -0.0920 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390    2.3420    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490    3.6620    0.8850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520    3.7180    1.6610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    2.5430    1.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    1.6390    1.2170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740    0.1750    1.0640 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7390   -0.2370    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -0.0660   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7790   -0.0240   -1.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810   -0.3040   -2.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9840   -0.5350   -1.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5510   -0.3880   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760   -0.5690    0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7840   -0.8860    0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1930   -1.0270   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3060   -0.8550   -1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -3.4850    1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -4.1260    1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -3.3860    2.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -1.4170   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340    0.0400   -0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250    2.0960   -0.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    0.1850   -1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -0.3380   -3.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -0.4600    2.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5180   -1.0300    1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2300   -1.2760   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6190   -0.9620   -2.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ24
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    0.2510   -2.5560   -0.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.8540   -0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6300   -2.4160   -1.7330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460   -1.7220   -1.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9010   -0.4740   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -0.1890    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -1.2050    1.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280   -0.8560    1.3790 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7710   -1.7700    1.0600 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2620    0.3160    1.7110 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9200    1.1250    1.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050    2.1390    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5020    3.5020    0.3720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570    4.0040   -0.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940    3.0800   -1.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850    1.8750   -0.8300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    0.5390   -1.2120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2640    0.4120   -2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    0.4790   -0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -0.2240    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.3080    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1520    0.8430    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5230    0.7330    0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1130   -0.5230    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3290   -1.6740    0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9580   -1.5690    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2990   -2.3040   -2.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710   -0.6890   -2.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4820   -1.7660   -1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710   -1.2240    2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300   -2.2310    0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090    1.3090    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960    1.0640   -1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -0.8130    0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890    1.8240    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1340    1.6290    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810   -0.6070    0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7900   -2.6530    0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380   -2.4640    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ25
 OpenBabel09302314563D

 43 45  0  0  1  0  0  0  0  0999 V2000
    1.4560   -1.3320    2.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -1.1330    1.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170   -1.8320    1.7200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730   -2.8430    2.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480   -0.1520    0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190   -0.2140   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300   -1.4360   -0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470   -1.6250   -2.5470 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0230   -0.5780   -3.2110 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0510   -2.7920   -2.9120 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5770    0.9170   -1.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    2.0990   -0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    3.3950   -1.1320 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    4.1510   -0.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    3.4470    0.7610 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470    2.1400    0.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050    0.9480    1.2880 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1350    1.1920    2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140    0.4920    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    1.1750    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090    0.6310    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8300    1.4200    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110    0.9190    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2580   -0.3870   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5650   -0.7580   -0.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8160   -2.0500   -0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1580   -1.1850   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800   -0.6650   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -3.2820    2.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -3.5800    2.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -2.3980    3.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780   -2.3520   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100   -1.4930   -0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630    0.8440   -2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960   -0.4990    1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    2.1740    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920    2.4330    0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9880    1.5150    0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9120   -2.0890   -0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4170   -2.8270   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4120   -2.1410   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2770   -2.1900   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0040   -1.2730   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ26
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
    0.8740   -2.4890   -0.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230   -1.6040    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3460   -1.7940    1.7880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170   -3.1530    2.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -0.1780    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060    0.1710   -0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.7620   -1.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -1.4950   -0.8370 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6300   -1.9480    0.2070 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1930   -1.4780   -1.3430 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4220    1.5380   -1.2280 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    2.4850   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    3.8510   -0.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    4.2760    0.6970 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090    3.3000    1.3200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740    2.1400    0.6960 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340    0.7670    1.0140 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8990    0.5670    2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8670    0.6990    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.0560   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9220   -0.1570   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    0.9740   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1210    0.8620   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6560   -0.4040   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9730   -0.5240   -0.5510 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720   -1.5520   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930   -1.4140   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930   -3.5680    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -3.7290    1.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950   -3.0840    3.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390   -0.3360   -2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -1.6100   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950    1.7990   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.3170    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960   -0.6740   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860    1.9520    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7580    1.7370   -0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3220   -2.5240   -0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470   -2.2910   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ27
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
   -2.0640   -1.1830   -2.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860   -1.1440   -1.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890   -2.0390   -1.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8590   -3.0510   -2.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5440   -0.1730   -0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.3410    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890   -1.6480    0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710   -1.8580    2.5540 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1390   -0.8250    3.2400 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0880   -3.0300    2.8920 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1480    0.7550    1.2500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260    2.0040    0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480    3.2640    1.2580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710    4.1180    0.3310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    3.5080   -0.7010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1930    2.1690   -0.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    1.0520   -1.3370 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0440    1.3190   -2.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130    0.7500   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.0700   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670    0.6730   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020   -0.0780    0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370   -0.4650    1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -0.0850    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440   -0.6050    0.2070 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1090    0.6600   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    1.0380   -1.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700   -3.6610   -2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9380   -3.6320   -2.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400   -2.6050   -3.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350   -2.4800    0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4610   -1.8610    0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330    0.6190    2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520    0.1650   -2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910    1.6300    0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890   -0.3690    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700   -1.0550    1.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    0.9490   -1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6230   -1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ28
 OpenBabel09302314563D

 41 43  0  0  1  0  0  0  0  0999 V2000
   -0.8530   -2.8400    0.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960   -2.1180   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100   -2.7530   -1.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3600   -1.9900   -1.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420   -0.6530   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -0.0200    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.7100    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1480   -0.1490    0.8140 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2160    1.0880    0.8450 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.9560   -0.9970    0.4740 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6710    1.3780    0.7390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    2.0980   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    3.4420   -0.2510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780    3.5830   -1.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    2.4500   -1.3700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    1.4680   -0.7530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620    0.0270   -0.7140 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3200   -0.3330   -1.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020   -0.2400    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710    0.3430   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    0.0880    0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4070   -0.2480    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480   -0.4050   -1.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5600   -0.6300   -2.1020 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.6740   -0.3130   -1.9030 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.5420   -0.4560    0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4460   -0.3330    2.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2210   -0.0020    2.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.2080    1.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6950   -2.6980   -2.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9100   -1.1040   -2.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2020   -1.7180   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230   -0.5250    2.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190   -1.8050    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200    1.8170    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900   -0.9750    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    1.0560   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -0.7160    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3220   -0.4950    2.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1490    0.0920    3.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.4710    2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 29  2  0  0  0  0
 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ29
 OpenBabel09302314563D

 39 41  0  0  1  0  0  0  0  0999 V2000
   -0.0560   -2.0590    2.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -1.8010    1.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020   -2.7540    1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6650   -4.0390    1.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450   -0.5270    0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550   -0.2900    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100   -1.3700   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.0660   -2.0410 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8670   -2.0610   -2.7250 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9530    0.1220   -2.2660 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6400    1.0010   -0.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120    2.0520    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    3.3930    0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540    3.9340    1.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360    3.0510    1.7270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.8420    1.2090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770    0.5350    1.4250 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0440    0.4250    2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9960    0.4210    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480    1.2910   -1.0640 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0540   -0.2800    1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700   -0.4910    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480   -1.3500   -0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4110   -1.5640   -1.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5950   -0.9220   -1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6150   -0.0630   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4550    0.1530    0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930   -4.6350    1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6950   -3.9870    2.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -4.4260    1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -1.7190    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -2.2650   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220    1.1950   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530   -0.7850    2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -1.8440   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3950   -2.2290   -2.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.0870   -1.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5360    0.4420    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    0.8290    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
SDZ30
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
    0.2370   -1.9000    2.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -1.6370    1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -2.5660    0.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.2320   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070   -0.4190    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -0.4240   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170   -1.6460   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -1.5510   -0.2910 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9890   -0.4430   -0.5550 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0090   -2.5870    0.0970 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7380    0.7650   -0.7050 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    1.9520   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    3.2560   -0.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280    4.0150    0.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    3.3070    0.7320 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370    1.9920    0.5240 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530    0.8180    0.9140 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1510    0.8390    2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260    0.8000    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640    1.4390   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150    0.1610    0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4510   -0.0520    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3270    1.0150    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5960    0.7780   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9910   -0.5200   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170   -1.5860   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -1.3560    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -2.3100   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -1.2340   -1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630   -2.9990   -1.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730   -1.8590   -1.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5470   -2.5430   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7780    0.7460   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1780    1.1320   -1.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130    1.2090   -1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040    2.5380   -0.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -0.3010    1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130    2.0280    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2780    1.6070   -0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9790   -0.7020   -1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4260   -2.5990   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590   -2.1840    0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
$$$$
RDBA2
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
    2.0930    0.2790    1.5560 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7590   -0.3280    2.5750 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2220   -0.6340    2.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4960   -0.2010    1.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    1.0920    1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    1.3640   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350    0.2410   -1.0920 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3220    0.6470   -2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -0.5810   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520    0.0190   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7870    1.4570   -1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6740   -0.6020   -0.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -1.8480   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2780   -2.6960    0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370   -2.4850   -0.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110   -1.8360   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -0.6250   -1.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530   -0.1020   -1.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010   -0.9920   -1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -0.6400   -1.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9940    0.5950   -1.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580    1.4630   -2.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260    1.1280   -2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800   -2.4740   -0.4440 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    2.6920   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380    3.7300    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0840    3.4420    1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160    2.1370    2.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -0.7310    3.5320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2060   -0.1950    3.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0540   -1.7200    2.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2810    1.6470   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3540    2.1210   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8410    1.7370   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0050   -2.9420   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8420   -2.1610    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9090   -3.6380    0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5370   -1.2930   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240    0.8920   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    2.4280   -2.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    1.8230   -2.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060    2.9200   -1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890    4.7560   -0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290    4.2550    2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930    1.9010    3.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
RDBA3
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
   -0.2770   -3.4420   -2.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7320   -2.3170   -1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010   -1.1490   -2.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870   -0.1250   -1.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290   -0.1110   -0.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950    1.1320    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    2.0910   -0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960    3.3620   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2560    3.6760    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    2.7290    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    1.4480    1.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.4450   -2.4490 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740   -2.3740   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -3.6260    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -3.5760    1.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -4.7000   -0.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650   -1.1560    0.5700 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0850   -1.4320    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -0.5660    1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550   -0.1770    0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    0.4230    1.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    0.8690    0.7270 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    0.7560   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    1.3950   -1.0340 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5500    1.6730   -0.0970 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9640    1.5070   -2.2540 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0580    0.6080    2.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    0.1950    3.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440   -0.3930    2.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670   -3.1210   -3.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0380   -4.2380   -2.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360   -3.9130   -2.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9840    4.1130   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    4.6710    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4090    2.9990    2.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410    0.7220    2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190   -3.1890    2.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -2.9230    2.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280   -4.5730    2.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100   -0.3310   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6100    1.3260   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -0.2930   -0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    1.0730    3.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    0.3310    4.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -0.7040    3.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  CHG  2  25  -1  26  -1
M  END
$$$$
RDBA4
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
    3.5040    3.2320   -1.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    2.0160   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.8360   -1.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130   -0.3000   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -0.4520    0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110   -1.7860    0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180   -2.7130   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210   -4.0740   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -4.5140    0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170   -3.5990    1.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110   -2.2290    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3650   -1.8960   -1.5500 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    2.0080    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470    3.2540    0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    3.2630    1.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    4.2820    0.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    0.7250    0.8250 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5290    0.6720    1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    0.6180    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    0.7380   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    0.6010   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390    0.3390   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9830    0.2180   -0.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0150   -0.0600    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3690   -0.1610   -0.6230 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3100    0.0580   -1.8250 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.3160   -0.4550    0.1120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3540    0.2330    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160    0.3730    1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750    3.0070   -2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    3.7230   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    3.9840   -1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770   -4.7960   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400   -5.5780    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -3.9630    2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320   -1.5230    2.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190    2.5840    2.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.9560    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    4.2690    2.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    0.9420   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0960    0.6860   -2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1120    0.7600    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370   -1.0180    0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950    0.0410    1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7200    0.2960    2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  CHG  2  26  -1  27  -1
M  END
$$$$
RDBE2
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
    0.6820   -2.6160   -1.8890 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7690   -2.8370   -1.3570 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8740   -2.6680    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -2.1800    0.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -1.1880    1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290    0.1090    1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    0.4430   -0.2240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3830   -0.3930   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    1.7520   -0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    1.6860   -0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.3980   -0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900    0.1070   -1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.3550    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710    2.6100   -1.1080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    2.9260   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    4.2500   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3820    2.9760   -0.3900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180    1.8310   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    0.5820   -0.4020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380   -0.4930   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6810   -0.0810   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7060   -1.0130   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3820   -2.3590   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540   -2.7590   -0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170   -1.8360   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010    1.6810   -0.1570 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    1.0860    2.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020    0.7860    3.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120   -0.5030    3.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -1.4980    2.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -3.1870   -1.8540 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6960   -1.9830    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260   -3.6420    0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    0.6930   -2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.9730   -1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    1.4240    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860    0.0140   -0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.1720    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    4.2560   -1.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    4.4730   -0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140    5.0710   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7410   -0.7110   -0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1700   -3.1050   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -3.8140   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -2.1600   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    2.1000    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    1.5580    4.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830   -0.7290    4.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740   -2.5090    3.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2   1  -1  31  -1
M  END
$$$$
RDBE3
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
    2.1970    0.2210    3.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630    0.6930    2.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    0.4180    1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550   -0.3530    0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -0.5100   -0.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -1.3620   -0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   -1.5150   -2.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -0.8080    1.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130    0.8540   -0.1010 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0310    1.3970   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -0.3400   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580   -1.0300   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520   -2.0870   -0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940   -2.8190   -0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910   -2.4630    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8490   -3.4240    0.9080 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0420   -4.2710    0.0440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.4730   -3.1600    1.9400 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4620   -2.4670   -2.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020   -1.7760   -2.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850   -0.7010   -2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    1.8310    0.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    1.9340    1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.8750    1.6370 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    3.0210   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350    2.3750   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780    2.3370   -2.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440    2.9590   -2.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420    3.6040   -2.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020    3.6360   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    1.4530    2.6050 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290    0.5950    3.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -0.8830    3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    0.5270    4.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790   -0.8690   -0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5270   -2.3250   -0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240   -2.1760   -2.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350   -0.5460   -2.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -1.9380   -2.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -0.7580    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -1.4270    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -2.6450    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360   -3.2960   -2.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -2.0620   -3.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240   -0.1730   -2.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    1.8100   -2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    2.9300   -3.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2850    4.0740   -2.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5700    4.1260   -0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
RDBE4
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
    3.2960    3.1600   -1.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    1.9500   -1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    1.9340   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    3.1470    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    2.9210    1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530    4.0250    1.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    3.4220    2.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    4.2560   -0.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650    0.6740    0.5720 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4390    0.8290    1.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410    0.3140    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600    0.0030   -1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -0.3310   -1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.3480   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660   -0.6930   -0.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9340   -0.7280   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2300   -1.1890   -0.8280 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1020   -1.4440   -2.0180 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.2160   -1.2210   -0.0860 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3480   -0.0200    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400    0.3120    1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950   -0.4510    0.2540 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -0.3150   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -1.8850   -1.0830 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0010   -2.6870    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080   -1.7710    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -2.2070    1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530   -3.5590    1.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0400   -4.4630    1.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710   -4.0300    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    0.7950   -1.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    3.9560   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    3.5920   -2.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    2.9490   -2.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    4.8070    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    4.4210    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520    3.0080    3.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530    2.5950    1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    4.1670    2.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    0.0290   -1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210   -0.5810   -2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140    0.2680    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7330   -1.4660    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -0.0250    1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    0.5900    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -1.5110    2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210   -3.9220    2.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -5.5140    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520   -4.7430   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDTA2
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    2.7510    0.4850   -1.5690 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7600    1.0580   -2.0480 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5340    0.1270   -2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -0.1460   -1.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410   -0.3420   -0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630   -0.5170    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.5060    1.4950 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3110   -0.5080    2.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    0.7050    1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    1.9640    1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    3.0780    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450    2.0880    2.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    0.6120    1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    1.7460    0.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.6300    0.6450 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520   -1.8020    0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.7520    1.4450 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450   -3.3120    0.4660 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -0.7030    0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420   -0.7320   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090   -0.5790   -1.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620   -0.3850   -2.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920    2.2550   -2.2730 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.8260   -2.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560    0.6560   -3.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200    3.8610    1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380    3.5450    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860    2.7290   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1700    2.3860    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    1.4180    0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.3750    1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780   -0.5800   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -2.6140    1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630   -0.8180    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0940   -0.8740   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -0.6100   -2.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.2670   -3.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  CHG  2   1  -1  23  -1
M  END
$$$$
RDTA3
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.2240   -0.6940    2.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520   -0.7690    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    0.1790    0.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    0.1130   -0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7260   -0.7740   -1.5970 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6650    1.0290   -1.4850 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -1.6480    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -2.6970    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -2.2880    1.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -3.8370    0.4760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160   -1.4740   -1.1250 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4700   -2.4710   -1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -0.6550   -1.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920    0.6610   -0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270    1.2960   -0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2080    2.4930   -0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    3.0460    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290    2.0720    1.5150 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8140    2.1730    1.5800 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.3070    2.1540 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1980    0.6970   -1.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050   -0.5730   -1.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -1.2690   -1.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470   -0.2850    3.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0090   -1.6520    3.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150    0.0310    2.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    1.1220    1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -0.8790   -2.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -1.1850    1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570   -2.6820    2.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620   -2.6690    1.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    1.1780   -0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    3.8690    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    3.4340   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1450    1.2150   -1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9980   -1.0480   -2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -2.2870   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDTA4
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -4.1780    1.5600    1.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4110    0.6640    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -0.6830    0.7360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -1.6660   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710   -1.2980   -0.9600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900   -3.2510    0.0590 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240    1.0610   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    2.4810   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590    2.8650   -1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440    3.3480    0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    0.0650   -1.0250 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7540    0.3740   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230   -0.0540   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490   -0.0830    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -0.1620    1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700   -0.2180    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.2610    0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -0.2960   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290   -0.2210    0.4560 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0210   -0.0420    1.6610 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1140   -0.3500   -0.2740 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.2200   -1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7580   -0.1390   -1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8580    1.0430    2.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7780    2.2880    0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980    2.1810    2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5210   -0.9640    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460   -2.0210   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120    2.5110   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570    2.4390   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270    3.9560   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -0.0360    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -0.1790    2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    0.5720   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7610   -1.2380   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590   -0.2830   -2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720   -0.1360   -2.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDTE2
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
   -0.7490   -2.9060   -1.4400 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1750   -2.1140   -2.2040 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8720   -0.7100   -2.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -0.0780   -1.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320    1.2580   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780    1.8240    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.9890    1.4560 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2410    1.6620    2.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6300    0.0260    1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9360    0.6370    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960   -0.0960    0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900    0.5070    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -0.4520   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    1.6820    1.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -1.2660    0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860   -2.2620    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9410   -1.7580    0.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -1.0050    1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370    0.2650    1.8320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230   -1.6830    1.6550 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    3.2030    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    4.0180   -0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    3.4430   -1.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370    2.0690   -2.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8510   -2.2800   -2.8570 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9330   -0.8440   -2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -0.1440   -3.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090    0.5990    1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860    1.5120    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770   -1.4360    0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650   -0.0640   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380   -0.6150   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   -1.9720   -0.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -3.2730    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -2.3480    1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -2.5620    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960    0.8340    2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    3.6610    1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540    5.0900   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880    4.0750   -2.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800    1.6330   -3.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2   1  -1  25  -1
M  END
$$$$
RDTE3
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    3.4070    2.3990   -1.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    1.2690   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    0.3240    0.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    1.1150   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    2.0900   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330    2.0000    0.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.6520   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5970    2.7080    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    2.8880   -1.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610   -0.0810    0.6990 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4950    0.2580    1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670   -0.9200   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730   -1.0700    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -1.8580   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2670   -2.1930   -0.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.6770    0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1290   -0.1270    0.6710 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4690    0.3450    1.7630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9490    0.4320   -0.4090 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4730   -2.4450   -1.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2640   -2.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -1.5160   -1.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800   -0.9270    1.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4660   -0.7760    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920   -1.8450    1.3050 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4970    2.4220   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.3720   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9830    2.3750   -2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    0.4490   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    1.9850   -0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    3.6390   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620    1.8080    1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720    2.6470    0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    3.5860    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110   -0.5380    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480   -1.9700    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8760   -2.1800    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1320   -3.0180   -2.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -2.7070   -3.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420   -1.3870   -1.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -1.7770    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDTE4
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
   -4.2220    1.5070    1.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5360    0.5690    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1510   -0.6740    0.5290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    0.8510    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170    2.1390    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550    2.2490   -0.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940    3.3920   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    3.0920   -1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400    3.0350    0.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   -0.1350   -0.9070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7930    0.2800   -1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030   -0.4100   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580   -0.6800    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -0.8510    1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -0.7470    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240   -0.8790    0.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910   -0.7400   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0380   -0.7910    0.5220 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9330   -0.8670    1.7390 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0250   -0.7320   -0.2150 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0210   -0.5150   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820   -0.3440   -1.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680   -1.4340   -0.9390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840   -1.6970   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -3.1960   -0.2700 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530    1.1260    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4530    2.4660    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5520    1.7870    2.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0190   -0.8730    1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    3.4680    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590    4.2890   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510    2.1120   -1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    3.8490   -1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    3.0430   -2.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180   -0.7420    1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860   -1.0510    2.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.2260   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6860   -1.5750   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -0.4660   -1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030   -0.1390   -2.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -2.2010   -1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDUA2
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    5.0450   -1.3100    1.0260 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8380   -1.1960    0.8110 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4660    0.2570    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    0.3580    0.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    1.2660   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    1.0590   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660   -0.1270    0.6180 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2920   -0.7690    1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480   -0.9730   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870   -1.8740   -1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980   -1.9330   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520   -2.5580   -1.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.8920   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7700   -1.6410   -1.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940   -0.0410    0.7740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6430    0.5710    1.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870    0.3500    1.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400    1.1990    2.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640    1.9480   -0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360    3.0250   -1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    3.2120   -1.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    2.3380   -0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150   -2.0000    0.9110 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7300    0.3100   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    1.0240    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420   -0.9760   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -2.7070   -1.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660   -2.1570   -0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950   -1.4340   -2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8220   -1.4300   -0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180   -2.7330   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3990    0.0170    0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370    0.8940    2.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    1.8000   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990    3.7110   -2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520    4.0510   -2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    2.4850   -0.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  CHG  2   1  -1  23  -1
M  END
$$$$
RDUA3
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -1.8920   -1.3820    1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6950   -0.8660    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600   -1.8760   -0.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870   -1.5650   -1.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020   -0.2400   -2.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450   -2.4350   -2.5880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430    0.4390    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790    1.5550    1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700    1.6590    2.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    2.4000    0.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660    0.8590   -1.1920 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9980    1.7280   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080    1.2510   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    0.2590   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    0.6190   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440   -0.2590    0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -1.6030    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380   -1.7350    1.1630 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7550   -2.6360    0.7980 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4190   -0.9740    2.1190 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7280    1.9650   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    2.9330   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900    2.5910   -1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -2.3420    1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -0.6800    2.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -1.5780    2.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370   -2.6710   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340   -0.0370   -3.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860    0.8740    2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.5960    3.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    2.6220    2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -0.7930   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790   -2.0170    0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880   -2.1060   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    2.2260   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060    3.9780   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320    3.3680   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDUA4
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -4.4190    0.8560    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830    0.1000    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -1.2810    0.7910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -2.1530   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570   -1.5880   -1.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220   -3.3470   -0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7150    0.6640   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5720    2.1190   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380    2.6920   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3530    2.8710    0.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -0.1840   -1.0670 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9740    0.2090   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -0.1920   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490   -0.2770    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820   -0.2710    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -0.1810    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -0.1630    0.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -0.0590   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310    0.0140    0.4650 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8180    0.0430    1.6820 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9220    0.0400   -0.2700 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9160   -0.1150   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720   -0.1230   -1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9700    0.2300    2.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530    1.4940    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8020    1.5620    2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3560   -1.7130    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400   -2.2270   -1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    2.4340   -2.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    2.3150   -0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110    3.7880   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240   -0.3430    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5880   -0.3310    2.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070    0.8600   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -0.9480   -1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790   -0.0590   -2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910   -0.0690   -2.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
RDUE2
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.9210    2.7800    2.3290 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0050    2.7250    1.5240 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0960    1.6240    1.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110    0.7100    0.7360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -0.4830    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.3790   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -1.0270   -1.4520 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5000   -1.9590   -2.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730   -0.4310   -1.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700   -1.4160   -0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.8740   -0.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450   -1.8050    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -0.9330    1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -2.6130   -0.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200    0.9330   -1.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0150    1.6310   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660    1.7730   -1.5260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440    1.2710   -2.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -0.1070   -2.2990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870    2.0220   -2.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -2.6410   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880   -3.0160    0.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9740   -2.1140    2.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980   -0.8490    1.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    3.4330    0.5280 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0910    2.0810    1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590    1.1290    2.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.3340   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -2.5360    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330   -0.2190    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5360   -1.5370    1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -0.3400    1.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    1.3610   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    1.3780    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.7340   -0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.7460   -1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600   -0.4430   -2.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -3.3580   -0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260   -4.0050    1.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -2.3990    2.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490   -0.1550    2.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2   1  -1  25  -1
M  END
$$$$
RDUE3
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
   -3.8830   -1.8220   -1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -0.8270   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0190    0.1840    0.2630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -0.8540    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980   -1.8900   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -1.9650    0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2490   -2.6920   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780   -2.9150    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510   -2.6120   -1.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    0.2070    0.8970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6360   -0.2740    1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3170    1.0550    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540    1.0300    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    1.8320   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060    2.0110   -0.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8620    1.3170    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -0.2310    0.4420 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3740   -0.8390    1.4370 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6240   -0.6570   -0.6610 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3470    2.6080   -1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230    2.5970   -1.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640    1.8380   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2240    1.0690    1.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5270    1.1740    1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980    2.0300    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9690   -1.7120   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650   -2.8550   -0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4770   -1.7660   -2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0050    0.2220    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -2.0150   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -3.6220   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850   -2.0490    1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -2.9470    0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9440   -3.8080    1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950    0.3550    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    1.5460    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8730    1.7460    0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    3.1890   -2.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    3.1860   -2.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330    1.8410   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450    1.8860    2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDUE4
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
   -4.4400    0.5770    1.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800   -0.1370    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0670   -1.4470    0.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    0.4130    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    1.7740    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.1190   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    3.3610   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400    3.3230   -1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630    2.5520    1.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.3460   -1.0200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9920    0.2220   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.5120   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0830   -1.0130    0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -1.1040    0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410   -0.6800    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -0.7850    0.5290 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -0.3410   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870   -0.4970    0.5320 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7960   -0.9690    1.6570 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8610   -0.0980   -0.1130 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8820   -0.1990   -1.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5360   -0.1170   -1.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -1.6790   -1.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320   -2.2610   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8040   -3.4160   -0.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2390   -0.0110    2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8900    1.5080    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7590    0.9160    2.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8200   -1.8770    1.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030    3.3960    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    4.1810   -0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210    2.4060   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840    4.1810   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080    3.3130   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590   -1.3220    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -1.4840    1.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200    0.7120   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6170   -0.9770   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430    0.1060   -1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510    0.2770   -2.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080   -2.3170   -1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
RDZA2
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
   -3.2090   -1.5570   -1.4120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0090   -0.6450   -1.2210 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5540    0.5070   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1300    0.4730   -0.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530    0.9930    0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    0.7300    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070   -0.0390   -0.4200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3130   -0.3590   -1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890   -1.2360    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730   -2.3730    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940   -2.5690    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430   -3.1320    1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -1.2920    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360   -2.4220    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -0.2360   -0.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    0.7660   -1.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370    1.8130   -1.7940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    2.4730   -2.2860 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    1.9270   -1.9330 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    0.8330   -1.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400    1.1990    1.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    1.9260    2.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.1930    2.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0060    1.7320    1.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1560   -0.4680   -1.6320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9610    0.2750    0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8860    1.4840   -0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -2.4710   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160   -1.8180    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -3.5470    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -3.3920    0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -2.5020    1.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160   -2.3520    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -0.3240   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100    0.9930    1.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340    2.2850    3.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940    2.7690    3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    1.9470    1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   1  -1  25  -1
M  END
$$$$
RDZA3
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
    1.0400    3.2420   -0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360    1.8620   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    1.2640   -1.6410 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780    0.0610   -1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.6370   -2.2500 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -1.7140   -1.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -1.7480   -0.3590 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580   -0.6490   -0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    1.2020    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.9130    1.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080    1.1180    3.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0630    3.1200    1.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340   -0.2710    0.8230 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2560   -0.4730    1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -1.1310    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7090   -0.5940    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510   -1.4040    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -1.0120   -0.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030    0.3490   -0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.5640   -0.9310 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5260   -0.3250   -0.6070 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9370    1.6610   -1.4670 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7840   -2.7570    0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810   -3.2680    1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   -2.4610    1.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    3.5180   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880    3.9880   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    3.3930   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    1.6940   -2.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    0.5470    3.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    0.4030    2.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    1.7720    3.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.4380   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    0.5270   -1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280    1.0310    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810   -3.3680    0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130   -4.3110    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -2.8810    1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
RDZA4
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
    3.9800    1.9290   -1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140    0.8220   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170   -0.4470   -1.3240 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840   -1.5510   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700   -2.8830   -0.7380 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.4960    0.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -2.6610    0.9900 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360   -1.4120    0.4860 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760    0.9910    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    2.3350    0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490    2.5430    1.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    3.2710    0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.1370    0.8940 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7990   -0.0770    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.1460    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570    0.3220   -0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950    0.3550   -1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4560   -0.0990   -0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7140    0.0280   -0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7540   -0.3740    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1200    0.0650   -0.3990 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0390    0.7580   -1.4040 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.0920   -0.3700    0.2240 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0470   -0.6150    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6970   -0.6370    1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5740    1.6150   -2.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    2.5050   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380    2.6710   -1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -0.5850   -2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3390    2.0190    2.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820    2.1800    1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210    3.6090    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    0.6700   -1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    0.7260   -2.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6810    0.1480    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7440   -1.4600    0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800   -0.9980    1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740   -1.0460    2.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2  22  -1  23  -1
M  END
$$$$
RDZE2
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
   -4.4030   -0.1740   -1.8320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9640    0.5160   -0.9090 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8570    1.5590   -1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    1.1150   -0.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510    1.2370    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1780    0.8210    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760    0.2200   -0.5740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4020    0.2480   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.1990   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460   -2.1470   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100   -1.6800   -0.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850   -2.3120   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -1.9960    0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650   -3.2140    0.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320   -1.6020    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9910   -2.9800    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200   -0.7140    0.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5040    0.5530   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    1.5780   -0.7100 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6100    2.5820   -1.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    2.2680   -1.2550 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230    0.9910   -0.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180    0.9370    1.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380    1.4470    2.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    1.8300    2.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280    1.7270    1.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    0.5370    0.2820 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0820    2.5480   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490    1.5890   -2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940   -3.3880   -0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -1.7990   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560   -2.6250    1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -2.0760    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110   -0.9380    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -3.7360   -0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940   -3.2230    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630   -3.1580    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690   -1.0220    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430    0.6190    2.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900    1.5380    3.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660    2.2010    3.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    1.9610    1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   1  -1  27  -1
M  END
$$$$
RDZE3
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
    0.3070    2.3830   -2.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    1.1580   -1.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    0.1570   -2.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    0.9860   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    2.1180    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    2.5310    1.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    1.9850    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    1.1760    2.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230    2.7600    1.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440   -0.3710    0.5010 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1110   -0.3170    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -1.0550    0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800   -0.4350    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710   -1.1230    0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5050   -0.6730    0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930    0.5780   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1150    0.7380   -0.5100 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9520    0.0810    0.0950 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2290    1.5650   -1.4210 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2340   -2.4070    1.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -2.9840    1.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -2.3210    1.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130   -1.1730   -0.5450 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9160   -0.9490   -1.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.9180   -2.5760 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010   -2.6720   -1.6220 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -2.2550   -0.4220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940    2.5950   -3.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    3.2840   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040    2.3020   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    0.1430   -3.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2240    2.8900    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5510    1.3960    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    1.7920    3.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1510    0.7840    1.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    0.3250    2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.5820    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9680    0.5790   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3370    1.3930    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1700   -2.9180    1.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -3.9720    2.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370   -2.8020    1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
RDZE4
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
   -3.2540    1.2560    2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    0.2830    1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620   -1.0490    1.8510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760    0.6390    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850    2.0120   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0720    2.2130   -1.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9160    1.2020   -1.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1520    1.0260   -1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050    3.0090    0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.2490   -0.6480 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5260   -0.1010   -1.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -0.0580   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440    0.8190    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9760    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    0.2400   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.4790    0.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1800   -0.2160   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    0.2850    0.0810 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5800    1.0450    1.0400 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5170   -0.2020   -0.5700 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4370   -0.6400   -1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.7760   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940   -1.6400   -0.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2510   -2.0040    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3740   -3.3660    0.9340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010   -3.7760   -0.2600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990   -2.7870   -1.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480    0.8090    3.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760    1.8270    1.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    2.0150    2.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340   -1.3220    2.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3640    0.2580   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1600    1.6360   -2.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9130    0.5290   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9130    0.4230   -1.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6030    1.9970   -0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    1.4010    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3890    1.6580    1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090    0.0460   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1040   -1.2930   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320   -1.2070   -1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980   -1.4610   -1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDBA2
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
   -2.0930    0.2810    1.5570 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7590   -0.3260    2.5760 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2220   -0.6320    2.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4960   -0.2000    1.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060    1.0920    1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350    1.3640   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    0.2400   -1.0920 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3220    0.6460   -2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320   -0.5810   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    0.0170   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7870    1.4560   -1.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6730   -0.6030   -0.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -1.8490   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2780   -2.6960    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -2.4850   -0.0920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1120   -1.8370   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720   -0.6260   -1.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -0.1020   -1.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020   -0.9930   -1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7210   -0.6410   -1.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940    0.5940   -1.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9580    1.4620   -2.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260    1.1270   -2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800   -2.4740   -0.4430 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910    2.6920   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    3.7300    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    3.4430    1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    2.1380    2.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220   -0.7290    3.5340 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2060   -0.1930    3.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0540   -1.7190    2.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810    1.6460   -2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    2.1200   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    1.7350   -1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0040   -2.9430   -0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420   -2.1610    1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9080   -3.6380    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5380   -1.2940   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0240    0.8920   -2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1930    2.4270   -2.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290    1.8220   -2.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    2.9200   -1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5910    4.7560   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270    4.2560    2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930    1.9020    3.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  CHG  2   1  -1  29  -1
M  END
$$$$
SDBA3
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
    0.2770   -3.4410   -2.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320   -2.3170   -1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010   -1.1480   -2.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -0.1240   -1.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290   -0.1100   -0.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950    1.1330    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    2.0920   -0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    3.3630   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550    3.6770    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.7300    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4490    1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740    1.4460   -2.4490 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.3740   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6470   -3.6260    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680   -3.5760    1.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770   -4.7000   -0.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -1.1550    0.5700 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0850   -1.4310    1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -0.5670    1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -0.1770    0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220    0.4230    1.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2570    0.8670    0.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920    0.7550   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110    1.3940   -1.0330 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5500    1.6730   -0.0970 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9650    1.5040   -2.2530 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0580    0.6070    2.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320    0.1950    3.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1450   -0.3930    2.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660   -3.1200   -3.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350   -3.9140   -2.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -4.2380   -2.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    4.1140   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    4.6720    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    3.0000    2.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    0.7230    2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -3.1890    2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -4.5730    2.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4960   -2.9230    2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   -0.3320   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980   -0.2930   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6100    1.3260   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    1.0720    3.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730    0.3300    4.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180   -0.7050    3.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  CHG  2  25  -1  26  -1
M  END
$$$$
SDBA4
 OpenBabel09302314563D

 45 48  0  0  1  0  0  0  0  0999 V2000
    3.5040   -3.2320   -1.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950   -2.0160   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -0.8360   -1.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130    0.3000   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    0.4520    0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110    1.7850    0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    2.7130   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210    4.0740   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    4.5140    0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    3.5990    1.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    2.2290    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3650    1.8960   -1.5510 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220   -2.0080    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -3.2540    0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -3.2630    1.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670   -4.2820    0.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -0.7250    0.8250 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5290   -0.6720    1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550   -0.6180    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470   -0.7380   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730   -0.6000   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390   -0.3380   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9830   -0.2180   -0.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0150    0.0600    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3690    0.1610   -0.6230 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3100   -0.0590   -1.8250 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.3160    0.4560    0.1120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3540   -0.2330    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -0.3730    1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760   -3.0070   -2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -3.9840   -1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -3.7230   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770    4.7960   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    5.5780    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    3.9630    2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    1.5230    2.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -2.5840    2.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980   -4.2690    2.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.9560    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060   -0.9420   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0960   -0.6860   -2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370    1.0190    0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1120   -0.7590    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950   -0.0410    1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7200   -0.2950    2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  CHG  2  26  -1  27  -1
M  END
$$$$
SDBE2
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
   -0.6930    3.5380    1.0720 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2580    3.2880    1.8060 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3020    1.8100    2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.9380    1.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290   -0.2910    1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810   -1.1030    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960   -0.6160   -0.9330 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6120   -1.4330   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370    0.5930   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650    0.3820   -1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9940   -0.9150   -1.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -1.1930   -0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4720   -2.6260   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5320    1.1630   -1.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040    1.8490   -1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4970    3.0880   -1.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    2.0400   -1.4720 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    1.0340   -1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.3000   -1.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -1.1870   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3610   -0.5740   -0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4990   -1.3180   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690   -2.6850   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -3.2920   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -2.5570   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    1.1550   -1.0880 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -2.3720    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -2.8690    1.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -2.0780    3.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.7970    2.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610    4.0020    2.2430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4610    1.7660    3.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.5680    2.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8220   -1.0700   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8700   -0.4740   -0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5070   -2.9400   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430   -2.7190    0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9920   -3.3220   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540    3.1190   -2.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    3.9930   -1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390    3.1650   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840   -0.8550   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -3.2800   -0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -4.3580   -0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -3.0340   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -2.9830   -0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -3.8600    2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340   -2.4700    4.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270   -0.1880    3.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2   1  -1  31  -1
M  END
$$$$
SDBE3
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
    2.1980    0.2230   -3.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640    0.6950   -2.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    0.4190   -1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540   -0.3520   -0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5470   -0.5100    0.3570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -1.3620    0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   -1.5140    2.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -0.8070   -1.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130    0.8550    0.1010 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0300    1.3970    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -0.3400    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -1.0300    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -2.0880    0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930   -2.8200    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -2.4640   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8470   -3.4250   -0.9090 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0400   -4.2720   -0.0450 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.4720   -3.1610   -1.9410 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4610   -2.4670    2.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020   -1.7760    2.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850   -0.7010    2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    1.8310   -0.2420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    1.9340   -1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.8750   -1.6360 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    3.0210    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360    2.3740    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800    2.3370    2.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    2.9570    2.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430    3.6030    2.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7030    3.6350    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    1.4550   -2.6040 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300    0.5970   -3.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370    0.5300   -4.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -0.8800   -3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5780   -0.8700    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -2.3250    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240   -2.1760    2.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -1.9370    2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360   -0.5460    2.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140   -0.7580   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -2.6450   -1.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -1.4280   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -3.2960    2.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -2.0620    3.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230   -0.1730    2.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580    1.8090    2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520    2.9280    3.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2870    4.0720    2.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710    4.1260    0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
$$$$
SDBE4
 OpenBabel09302314563D

 49 52  0  0  1  0  0  0  0  0999 V2000
   -3.2960    3.1600   -1.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450    1.9500   -1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240    1.9340   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0840    3.1470    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    2.9210    1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540    4.0250    1.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8530    3.4220    2.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2610    4.2560   -0.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    0.6740    0.5720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4390    0.8290    1.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    0.3140    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600    0.0030   -1.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530   -0.3310   -1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580   -0.3480   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6920   -0.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -0.7280   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2300   -1.1890   -0.8280 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1020   -1.4460   -2.0180 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2170   -1.2200   -0.0860 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3490   -0.0200    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400    0.3120    1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -0.4510    0.2540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2470   -0.3150   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0470   -1.8850   -1.0820 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -2.6870    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.7710    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770   -2.2070    1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530   -3.5590    1.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400   -4.4630    1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710   -4.0300    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640    0.7950   -1.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6140    3.9560   -1.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310    2.9490   -2.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    3.5920   -2.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1720    4.8070    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    4.4210    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    4.1670    2.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    2.5950    1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530    3.0080    3.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220    0.0290   -1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220   -0.5810   -2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330   -1.4650    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    0.2680    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -0.0250    1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    0.5900    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -1.5110    2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200   -3.9220    2.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -5.5150    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520   -4.7440   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDTA2
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -2.2350   -0.6120    1.5030 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0940    0.2620    1.6690 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9820    1.5250    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    1.4990   -0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    0.4340   -0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.2940   -0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440   -0.0390    0.3540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3320   -0.1640    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5270   -0.9520    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -2.3550    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -2.7250    1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   -3.1980    0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7800   -0.4870    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150   -1.3180    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    0.8710   -0.0690 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    1.8210    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350    1.3930    0.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    3.4590   -0.1480 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510   -1.2410   -1.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -1.4860   -2.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830   -0.7910   -2.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700    0.1800   -1.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0450    0.3040    2.4490 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8040    2.4230    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8850    1.6350    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.1350    2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530   -3.7850    1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860   -2.5010    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -1.8550    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400   -0.7620    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9490   -2.1170   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9290    1.2050   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    2.0370    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -1.8080   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -2.2320   -3.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -1.0050   -3.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6050    0.7270   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  CHG  2   1  -1  23  -1
M  END
$$$$
SDTA3
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -2.3290   -2.3680    1.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870   -1.2360    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0960   -0.1270    1.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1540    0.9950    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430    1.0190   -0.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1700    2.2830    0.7860 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280   -1.2180   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -2.3860   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -2.3580   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1780   -3.3010   -1.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920   -0.0450   -1.2260 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8240   -0.3850   -2.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0870    0.5200   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380    0.9080   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    1.2530   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    1.7000    1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    1.3500    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   -0.1920    1.1460 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0690   -0.5860    1.6130 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1040   -0.8030    0.5560 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6050    1.2570   -1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370    0.9180   -2.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5900    0.5500   -2.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710   -2.4370    2.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080   -2.2850    2.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -3.3370    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6560   -0.1510    1.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    1.8900   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210   -1.9320    0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -1.6860   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290   -3.3390   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    0.8910    0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8470    1.6370    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420    1.9250    0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670    1.4780   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720    0.9190   -3.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910    0.2630   -3.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDTA4
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    4.1780    1.5600    1.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110    0.6640    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -0.6830    0.7360 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -1.6660   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710   -1.2980   -0.9610 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890   -3.2520    0.0590 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    1.0610   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    2.4810   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.8650   -1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    3.3480    0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.0650   -1.0260 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7540    0.3740   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230   -0.0540   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1490   -0.0820    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780   -0.1620    1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700   -0.2180    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7150   -0.2600    0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7800   -0.2960   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1290   -0.2210    0.4560 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0220   -0.0410    1.6610 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.1140   -0.3510   -0.2740 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.2200   -1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580   -0.1390   -1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    1.0430    2.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    2.1810    2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    2.2880    0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200   -0.9640    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460   -2.0210   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    2.4390   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110    2.5100   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280    3.9560   -1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -0.0350    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890   -0.1780    2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7610   -1.2380   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7460    0.5720   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590   -0.2830   -2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720   -0.1360   -2.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDTE2
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    4.2060   -0.4150   -1.7490 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6960    0.7050   -1.8440 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2360    1.3230   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330    1.0720   -0.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    1.2740    0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    0.9130    0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800    0.2890   -0.5230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0370    0.3060   -1.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.1290   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970   -2.0710    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -1.5200   -0.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870   -2.2200   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930   -2.1180    1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2150   -3.1860    0.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860   -1.5130   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460   -2.8870    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5010   -0.5850   -0.4550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260    0.7210   -0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420    1.1060   -0.9700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5350    1.7430   -1.2100 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460    1.0880    1.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830    1.6170    3.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680    1.9690    3.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    1.8030    1.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370    1.4430   -2.8090 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4180    2.4000   -0.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.8040    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030   -1.6240   -0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2190   -3.2560   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400   -1.0720    1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -2.4890    1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700   -2.6900    2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -3.1660    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   -3.6370   -0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280   -3.0380    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4730   -0.8830   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220    2.0740   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    0.8040    1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890    1.7510    3.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070    2.3770    3.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    2.0810    1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2   1  -1  25  -1
M  END
$$$$
SDTE3
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    3.2940    2.3280    1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630    1.2130    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200    0.4660   -0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.9010    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    1.6310    1.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    2.3450    0.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120    2.4750   -0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    3.4320   -0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170    1.6820    2.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9630   -0.2340   -0.4940 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4440    0.1850   -1.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100   -1.1140    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3580   -0.7980    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -1.5890    0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6380   -1.3800    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1160   -0.1590    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8630   -0.0260   -1.3390 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0930   -1.0180   -2.0220 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4660    1.1010   -1.6770 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9090   -2.7080    1.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550   -2.9900    1.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050   -2.1960    1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870   -1.0520   -1.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3880   -0.7340   -0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6380   -1.7120   -1.4830 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450    2.5730    1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    2.0790    2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100    3.2530    1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020    0.7220   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900    1.4850   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150    2.8570   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7330    3.0690   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2790    3.4310   -1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    4.4460   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6850    0.0550   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6950    0.6900    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1960   -0.2510    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -3.3260    2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320   -3.8420    2.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -2.4210    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220   -1.9680   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDTE4
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    4.1890    0.9750    1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4260    0.2030    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -1.0340    0.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    0.6420    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    1.9000    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    3.0440    0.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890    3.0150   -1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860    2.9730   -2.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    2.0370    1.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -0.1480   -0.7120 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8060    0.2950   -1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580   -0.2090   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410   -0.2470   -1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -0.3050   -1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7200   -0.3300   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -0.3740   -0.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7560   -0.3970    0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3040   -0.4230    0.4790 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5860   -0.3220   -0.7080 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.0100   -0.5390    1.4840 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.3100    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450   -0.2520    0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540   -1.5560   -0.7600 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990   -1.9690   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7870   -3.5490   -0.3200 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1390    0.5180    2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810    1.0970    2.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120    1.9960    1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460   -1.3400    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740    2.1880   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    3.9750   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    2.1200   -1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    2.9010   -3.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    3.8690   -1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710   -0.2320   -2.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520   -0.3310   -2.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5580    0.5100    1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5160   -1.3030    1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860   -0.3310    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760   -0.2310    1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -2.2420   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDUA2
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -2.9190   -2.0020    0.9130 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8410   -1.1950    0.8140 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4660    0.2550    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0630    0.3540    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    1.2650   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300    1.0630   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.1220    0.6220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2880   -0.7610    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -0.9720   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -1.8730   -1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.9350   -1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530   -2.5550   -1.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.8960   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7540   -1.6590   -1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.0460    0.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.5740    1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970    0.3590    1.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    1.2040    2.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    1.9530   -0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    3.0280   -1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    3.2120   -1.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080    2.3350   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0470   -1.3050    1.0320 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9740    1.0250    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320    0.3070   -0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -2.1550   -0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630   -2.7110   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -0.9790   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120   -1.5290   -2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470   -2.7460   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8050   -1.3940   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    0.0060    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520    0.9100    2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430    1.8080   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9960    3.7160   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    4.0500   -2.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810    2.4810   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  CHG  2   1  -1  23  -1
M  END
$$$$
SDUA3
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
   -2.6790    2.2580   -1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470    0.9470   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -0.1550   -1.4510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920   -1.4420   -0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670   -1.5980    0.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990   -2.3680   -1.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950    0.7840    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2660    1.9370    1.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710    2.1860    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9400    2.6280    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.5500    1.0380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1480   -0.4710    2.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850   -0.9470    1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270   -0.9690   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170   -1.1610   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200   -1.2560   -1.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.6760   -1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    0.8070   -0.8900 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7440    1.1470   -0.2350 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7490    1.4330   -1.1960 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4740   -1.3810    1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.4090    2.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -1.1960    2.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410    2.3120   -2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    2.4750   -2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900    3.0830   -0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5880   -0.0500   -2.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540   -2.5520    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8210    1.4240    1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    3.1610    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660    2.0910   -0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.7740   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860   -0.7010   -2.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4550   -1.2810   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530   -1.4800    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200   -1.5790    3.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200   -1.1950    3.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDUA4
 OpenBabel09302314563D

 37 38  0  0  1  0  0  0  0  0999 V2000
    4.4190    0.8570    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    0.1000    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310   -1.2810    0.7910 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030   -2.1530   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3570   -1.5880   -1.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220   -3.3470   -0.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    0.6640   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720    2.1190   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    2.6920   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3530    2.8710    0.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680   -0.1850   -1.0670 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9740    0.2090   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -0.1920   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490   -0.2770    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.2710    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2780   -0.1810    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230   -0.1630    0.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5900   -0.0590   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9310    0.0140    0.4650 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8180    0.0440    1.6820 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.9220    0.0390   -0.2700 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9160   -0.1150   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5720   -0.1230   -1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700    0.2300    2.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8020    1.5620    2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    1.4950    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -1.7130    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400   -2.2270   -1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    2.3150   -0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120    2.4330   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120    3.7880   -0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240   -0.3430    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880   -0.3310    2.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6260   -0.9480   -1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5070    0.8600   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -0.0600   -2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -0.0700   -2.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2  20  -1  21  -1
M  END
$$$$
SDUE2
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
   -2.1940    0.0650   -1.9900 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9780   -0.6550   -1.3730 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3960   -1.9070   -0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220   -2.0110   -0.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1520   -2.2610    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710   -1.4170    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -0.1740   -0.7910 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1560   -0.2200   -1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    1.0340    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6080    1.1460    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530    2.3250    0.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5780    2.4240    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110    2.8030    1.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.3690    1.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    1.9570    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    3.1900    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060    1.7760   -0.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.7650   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630   -0.0630   -1.5360 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120    0.7050   -1.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -1.7110    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.8170    1.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370   -3.6240    1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860   -3.3520    0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980   -0.5310   -1.2080 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8900   -2.8240   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230   -1.7450    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370    1.4710   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    3.2110   -0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810    1.9880    2.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0900    2.9770    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    3.7010    2.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    2.9850    1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    3.9480    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    3.6420    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    2.4740   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5060   -0.8520   -2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8550   -1.0630    1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -3.0390    2.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -4.4700    2.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770   -3.9670    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2   1  -1  25  -1
M  END
$$$$
SDUE3
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    3.8480    1.5980    1.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    0.7070    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -0.0800   -0.4890 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    0.6380    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    1.3960    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120    2.2320    0.7880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    2.5520   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    3.6160   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.3540    2.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160   -0.2900   -0.7560 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5400    0.3200   -1.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460   -1.1970   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -0.7690    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -1.5770    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210   -1.2800    0.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8440    0.0560    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240    0.3770   -0.9680 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9040   -0.0670   -1.5580 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0060    1.0990   -1.3890 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7410   -2.8210    1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120   -3.2170    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400   -2.4110    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770   -1.0820   -1.5600 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -1.0800   -1.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030   -1.8470   -1.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160    1.7300    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430    1.1940    2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    2.6010    1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -0.0490   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070    1.6500   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    2.9070   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    3.1690   -0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    3.9850   -1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450    4.4540    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950    0.1870   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2060    0.7780    1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8590    0.0430    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4870   -3.4450    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080   -4.1680    1.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -2.7280    0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9010   -2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDUE4
 OpenBabel09302314563D

 41 42  0  0  1  0  0  0  0  0999 V2000
    4.2500    0.4180    2.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730   -0.2250    0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.5300    0.6280 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240    0.3820    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    1.7360    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240    2.1430   -0.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    3.3730   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    3.3910   -1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660    2.4580    1.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9570   -0.3020   -1.0260 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1650    0.3060   -1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720   -0.4360   -0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.0360   -1.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7680   -0.0810   -1.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830   -0.5290   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6170   -0.4840   -0.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2300   -0.8670    0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7830   -0.5540    0.7020 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1040    0.1900   -0.2160 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.4540   -1.1120    1.5750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4160   -0.9580    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -0.9040    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410   -1.6430   -1.3020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   -2.2850   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350   -3.4440   -0.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990   -0.2080    2.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090    0.7270    2.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7450    1.3600    1.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6530   -2.0020    1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    4.1980   -0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    3.3560    0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    3.4350   -2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910    4.2420   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    2.4700   -0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    0.3300   -2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610    0.2300   -2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570   -0.2660    1.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0900   -1.9370    1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8130   -1.3200    1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350   -1.2190    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -2.2410   -1.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
SDZA2
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
   -3.7830   -1.8900   -2.0080 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7670   -1.4240   -1.5070 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8600   -1.0300    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780    0.3880    0.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880    0.8750    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    0.6810    0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410   -0.2170   -0.1330 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5530   -0.6730   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    0.5270   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    1.5800   -1.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    1.3920   -2.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720    2.5550   -2.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280    0.2990   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    1.0440   -1.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1580   -0.6710    0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630   -1.5360    0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610   -2.6450    1.4420 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -3.0790    1.7850 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2880   -2.3350    1.2870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -1.3500    0.5580 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    1.3690    1.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360    2.2290    2.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190    2.4220    2.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.7500    1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440   -1.2420   -2.0180 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1220   -1.5890    0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8710   -1.1910    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    0.3980   -2.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    2.1640   -3.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640    1.3830   -1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    2.0900   -1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    1.1220   -2.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    0.6130   -1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1190   -0.9710   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4900    1.2330    1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    2.7530    3.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    3.0980    3.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240    1.8860    1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   1  -1  25  -1
M  END
$$$$
SDZA3
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
   -1.0400   -3.2420    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360   -1.8620    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280   -1.2650    1.6410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -0.0610    1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6530    0.6370    2.2510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0220    1.7140    1.5290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590    1.7480    0.3600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580    0.6490    0.2630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380   -1.2020   -0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810   -1.9130   -1.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080   -1.1180   -3.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630   -3.1200   -1.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340    0.2710   -0.8230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2560    0.4730   -1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4840    1.1310   -0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080    0.5940   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510    1.4040   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    1.0120    0.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   -0.3480    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -0.5640    0.9320 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9370   -1.6620    1.4640 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5260    0.3260    0.6110 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7840    2.7570   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810    3.2680   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    2.4610   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -3.5180    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   -3.3930    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870   -3.9880    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -1.6940    2.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790   -0.5460   -3.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -1.7720   -3.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -0.4030   -2.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -0.4380    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -1.0310   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6220   -0.5270    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810    3.3680   -0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130    4.3110   -1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4980    2.8810   -1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
$$$$
SDZA4
 OpenBabel09302314563D

 38 40  0  0  1  0  0  0  0  0999 V2000
   -3.9630    1.9280   -1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2990    0.8260   -0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950   -0.4450   -1.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -1.5460   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -2.8780   -0.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8190   -3.4870    0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450   -2.6520    1.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430   -1.4060    0.4940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720    0.9970    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550    2.3390    0.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090    2.5590    1.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910    3.2620    0.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -0.1320    0.8960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8010   -0.0650    2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550   -0.1500    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540    0.2910   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    0.3190   -1.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540   -0.1120   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7120    0.0090   -0.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7530   -0.3680    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1170    0.0650   -0.3990 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0320    0.7470   -1.4120 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0910   -0.3590    0.2280 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0460   -0.6010    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -0.6190    1.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4490    1.6180   -2.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410    2.7280   -1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7280    2.4250   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1960   -0.5840   -2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.0300    2.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9850    3.6260    1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570    2.2090    1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920    0.6210   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.6690   -2.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -1.4510    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770    0.1730    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7800   -0.9670    1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -1.0070    2.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2  22  -1  23  -1
M  END
$$$$
SDZE2
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
   -4.1760    0.0340   -1.0200 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6860   -1.0070   -1.4540 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1660   -1.2720   -1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180   -1.1930    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550   -1.0350    1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620   -0.6360    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110   -0.2770   -0.4370 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0590   -0.4170   -1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.1490   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    2.1810   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560    1.7720   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    2.5090   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570    2.2250    0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    3.2640    0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5330    1.5130   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    2.9180   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580    0.5600   -0.5540 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -0.7550   -0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -1.8690   -1.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730   -2.8850   -1.1580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8430   -2.4980   -1.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550   -1.1560   -0.7840 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -0.5110    1.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700   -0.7590    3.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550   -1.1430    3.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -1.2800    2.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1360   -1.8580   -2.2180 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.4860   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400   -2.2780   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8290    2.0500   -1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880    3.5750   -0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9230    1.1520    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5680    2.7850    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030    2.4610    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740    3.5780   -1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    3.0520   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    3.3300    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    0.8230   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800   -0.2010    1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760   -0.6560    4.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630   -1.3330    4.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820   -1.5770    2.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  2   1  -1  27  -1
M  END
$$$$
SDZE3
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
    1.7720   -1.6700   -2.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370   -0.7170   -1.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.4420   -2.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680   -0.9280   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0810   -2.2100   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830   -2.1080    1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -3.2230    1.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -4.2900    2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -3.2390   -0.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    0.1260    0.6710 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0900   -0.3180    1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890    0.8040    0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    0.4590    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640    1.0690    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600    0.6140   -0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2650    1.1350   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2370    0.3170   -1.0570 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3960    0.7350   -0.9730 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7510   -0.5890   -1.7240 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0650    2.0380    1.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    2.3750    2.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2950    1.7610    1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260    1.1280    0.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    1.3060   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.3650   -1.1080 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    2.7870    0.1690 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    2.0790    0.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910   -1.2820   -3.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -1.9930   -2.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -2.6050   -2.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    0.6710   -3.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180   -3.6000    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -2.7410    2.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -4.7340    1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610   -5.0970    2.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -3.8700    2.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850   -0.2850   -0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3050    2.1930   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5750    0.9620    0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    2.5180    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950    3.1270    2.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    2.0320    2.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
$$$$
SDZE4
 OpenBabel09302314563D

 42 44  0  0  1  0  0  0  0  0999 V2000
   -3.6510    0.9570   -2.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    0.1440   -1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070   -1.1740   -1.2390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950    0.6090   -0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450    2.0000   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700    2.2420    0.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390    3.5220    0.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840    4.5460    1.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    2.8600   -1.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680   -0.2410    0.7970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8170    0.2430    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110   -0.4510    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -1.0390   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550   -1.1420   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.6420   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -0.7590   -0.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7920   -0.2390    0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550   -0.3650   -0.4590 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0900   -0.7820   -1.6080 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1120    0.0090    0.2240 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0910   -0.0810    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340    0.0070    1.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3990   -1.5290    0.8360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -1.9760   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -3.2330    0.1880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0530   -3.5070    1.3530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980   -2.5290    1.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950    0.4150   -3.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090    1.3840   -2.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2170    1.8380   -2.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2360   -1.5380   -1.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    3.8020   -0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    3.3090    1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    4.7240    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850    5.5050    1.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820    4.2000    2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5300   -1.4110   -1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -1.5910   -1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680   -0.8410    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    0.8180    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    0.2790    1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040    0.4550    2.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 24  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  19  -1  20  -1
M  END
$$$$
