1364
XYZ file for : lk23-tcn in I 2/a
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  C      -14.12859       12.09670       -3.40007
  C      -12.95042      -11.54791       -3.39379
  C        5.49192       13.31707       -3.38878
  C      -24.34178       -6.41565       -3.38136
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  C       -8.88483        7.50910       -3.35528
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  C       -0.57631      -11.71581       -3.33344
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  S       18.23357       -2.01451       -3.20873
  O       28.00919      -12.36378       -3.20063
  N       12.02756      -10.51468       -3.17682
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  O      -11.23207      -14.80245       -3.15324
  C       21.85345       14.37350       -3.15223
  C       13.58219        2.78378       -3.12780
  C       22.48570       13.23032       -3.11574
  C      -11.28233        6.15309       -3.11391
  S      -19.01827      -10.68060       -3.10849
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  C       24.33119       15.71083       -3.08140
  C      -25.65908        0.34512       -3.08041
  C       -6.03856        1.56548       -3.06911
  C      -16.75557       10.79165       -3.06835
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  C       -4.73886       11.84215       -3.04073
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  C        0.07097       -4.11954       -3.00401
  C        8.07130       -4.52652       -2.98611
  S       21.59698      -10.80016       -2.96358
  C        5.54491        2.78205       -2.95240
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  S      -17.64429      -13.23883       -2.91619
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  C       19.69108       -2.89561       -2.87177
  C       16.20715        4.10632       -2.86618
  C       16.83942        2.96287       -2.83867
  C      -19.55019       -5.33428       -2.82438
  C       -7.48309      -10.71750       -2.82257
  C      -23.03412        1.66765       -2.81878
  C      -11.54984       -5.74140       -2.81150
  C        0.51726      -11.12463       -2.80969
  C        4.19010        3.05879       -2.79278
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  S       -1.38865       -3.22007       -2.71788
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  C       -7.01020       11.28491       -2.68198
  C       20.13736       -9.90070       -2.67746
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  C      -24.88029       -0.80685       -2.64907
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  C      -11.16921        7.47167       -2.59963
  C       10.61827        7.44832       -2.58779
  C        9.84865        2.27204       -2.58101
  C       -2.79964        7.98380       -2.56363
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  C        6.45911        3.63632       -2.46315
  S        0.59996       -9.44039       -2.42380
  S       20.27246       14.46907       -2.40247
  C       -4.72458       -5.16649       -2.39299
  S      -18.96881       12.03040       -2.35508
  C       20.78465       -2.30443       -2.34802
  C       -4.32927       10.74162       -2.31253
  C      -18.45662       -4.74309       -2.30063
  S       21.68506       11.90374       -2.29621
  N       -7.59601      -11.70844       -2.28549
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  S      -17.55620        9.46507       -2.24882
  C       -6.08251       -4.91099       -2.24028
  N       14.56092       -7.10795       -2.21895
  C        8.41642        2.33617       -2.21453
  N      -13.97739       -8.09529       -2.20626
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  C       13.54892       -7.58009       -2.19106
  C       -2.34748       -4.59083       -2.16969
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  O        8.38506      -13.55264       -2.14292
  C        3.77579        4.20041       -2.12713
  C       19.04014      -10.46010       -2.12296
  S       17.00248        5.47902       -2.12062
  C       12.28124       -8.18983       -2.12026
  C       -2.25534        9.30209       -2.08707
  C        6.66569      -10.28930       -2.08472
  S       18.41532        2.91166       -2.08321
  C      -20.20113      -12.89877       -2.07557
  S      -22.23878        3.04035       -2.07322
  C       -1.68688       -5.77015       -2.06635
  C       -2.91641       10.48555       -2.04987
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  S       20.83967       -0.59234       -2.01439
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  C        1.70061        5.65080       -1.98387
  S       22.25251       -3.15970       -1.97699
  C       20.21485       12.77942       -1.97465
  S      -18.40160       -3.03101       -1.96700
  C       -6.65197       10.16995       -1.96550
  C        2.26907       -9.42144       -1.96315
  C      -12.26751        8.07048       -1.92996
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  C      -19.02641       10.34075       -1.92726
  C       -3.76207       -4.31976       -1.92308
  O       -8.37133       13.43329       -1.90730
  C       11.71192        6.88995       -1.88492
  C        2.36121        4.47148       -1.88053
  C      -13.53520        7.46074       -1.85916
  C       12.97923        7.50290       -1.84669
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  N      -14.54719        6.98861       -1.83127
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  S       17.56993       -9.58442       -1.80140
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  N        7.60973       11.58909       -1.76473
  S      -21.67134      -12.02309       -1.75401
  C       18.47034        4.62375       -1.74959
  C        4.34300      -10.86096       -1.73769
  C      -20.77092        2.18508       -1.70220
  S       18.98254      -12.14975       -1.69514
  C        4.73831        5.04714       -1.65723
  S      -20.25873      -14.58842       -1.64775
  S       -0.58623        9.32104       -1.62641
  C       -6.44539       -3.75567       -1.58707
  S       -1.96104       11.88638       -1.57748
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  N       -8.16704        3.38621       -1.54557
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  S        0.02838        5.65896       -1.52464
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  C       -9.83492       -2.39139       -1.46921
  C      -10.60454       -7.56767       -1.46243
  C       11.18294       -7.59101       -1.45058
  C       19.11763       12.22002       -1.42015
  C       24.89402        0.68750       -1.40115
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  C        7.02393      -11.40426       -1.36823
 Se        5.12921       -3.35314       -1.36041
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  C      -14.34725       -1.75117       -1.35376
  O       -7.81757       -3.56534       -1.35012
  C       -9.35179       -6.91738       -1.34750
  S        1.40237        3.10073       -1.33234
  C        9.92929       -8.23351       -1.30112
  C       22.41557       -0.64356       -1.25894
  C       -4.17637       -3.17814       -1.25743
  C       -0.50353       11.00528       -1.24052
  C       11.56357        5.62205       -1.23872
  C       23.04784       -1.78700       -1.23143
  C        7.49682       10.59815       -1.22764
  C       19.56392        5.21493       -1.22584
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  C      -19.67735        2.77626       -1.17845
  C       10.41240      -12.75928       -1.17155
  S       17.65801       13.11948       -1.13402
 Se       -4.55224      -11.79313       -1.13155
  O        8.39447      -11.58029       -1.11972
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  S      -21.58325       10.68081       -1.08663
  C       -8.05758        4.40717       -1.06411
  C       -0.05725        4.00019       -1.04621
  C       14.92381      -13.39151       -1.01620
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  C       16.76929      -10.91100       -0.98187
  C        6.05229       -1.68483       -0.98110
  C       25.67280       -0.46447       -0.96980
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  C       17.40154      -12.05418       -0.94537
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  C       11.29605       -6.27244       -0.93631
  C      -22.47197      -13.34967       -0.93448
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  C      -21.83973      -14.49285       -0.89798
  O       11.24580       14.68310       -0.89698
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  S       19.64662        6.89916       -0.83995
  C        6.10626      -12.22836       -0.83342
  C       14.32208       11.17306       -0.80913
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  C        0.59004       11.59646       -0.71677
  C       -8.32527       -7.48573       -0.70775
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  C       -5.47819      -13.43642       -0.66144
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  C        3.42532       -2.98988       -0.64937
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  C       -2.85323      -12.11388       -0.39981
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  C       29.45906        3.58028        0.41231
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  C       -9.78220        1.14161        0.45970
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  C        7.91337       -5.71105        0.48901
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  C        6.64569       -6.32079        0.55982
  C       23.79924        4.37805        0.57436
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  C       -5.27080        0.50937        0.61504
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  C        5.47820       13.43642        0.66144
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  C       -2.79307        1.84670        0.68587
  C       -8.89855        7.62845        0.69494
  N      -11.45065       -4.63111        0.70163
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  C       -0.59004      -11.59645        0.71678
  C       25.15292        4.11120        0.75043
  C       24.91919       -8.73439        0.76174
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  C      -14.32207      -11.17306        0.80913
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  S       18.21985       -1.89515        0.84149
  O       27.99547      -12.24443        0.84959
  N       12.01384      -10.39532        0.87340
  C       10.72139        8.85382        0.87611
  S      -21.02142       -4.33382        0.88888
  S       20.20927       -8.12258        0.89434
  O      -11.24579      -14.68309        0.89698
  C       21.83973       14.49285        0.89798
  C       13.56847        2.90314        0.92241
  C       22.47198       13.34967        0.93448
  C      -11.29605        6.27244        0.93631
  S      -19.03200      -10.56124        0.94173
  C      -17.40153       12.05418        0.94538
  C       24.31746       15.83018        0.96881
  C      -25.67280        0.46447        0.96981
  C       -6.05229        1.68483        0.98110
  C      -16.76929       10.91101        0.98187
 Se        2.93245       14.89031        0.98200
  C       -4.75258       11.96151        1.00949
  C      -14.92380       13.39151        1.01621
  C        0.05725       -4.00018        1.04621
  C        8.05758       -4.40716        1.06411
  S       21.58326      -10.68081        1.08663
  C        5.53119        2.90140        1.09782
  O       -8.39447       11.58029        1.11972
 Se        4.55224       11.79314        1.13155
  S      -17.65801      -13.11947        1.13403
  C      -10.41240       12.75928        1.17155
  C       19.67735       -2.77626        1.17845
  C       16.19343        4.22567        1.18404
  C       16.82570        3.08223        1.21155
  C      -19.56391       -5.21492        1.22584
  C       -7.49681      -10.59815        1.22764
  C      -23.04784        1.78700        1.23143
  C      -11.56356       -5.62205        1.23872
  C        0.50354      -11.00527        1.24052
  C        4.17638        3.17815        1.25744
  C      -22.41556        0.64356        1.25894
  C       -9.92929        8.23351        1.30112
  S       -1.40237       -3.10072        1.33234
  C        9.35179        6.91739        1.34750
  O        7.81758        3.56534        1.35012
  C       14.34725        1.75118        1.35376
  C       12.12331       -9.37436        1.35486
 Se       -5.12921        3.35315        1.36041
  C       -7.02393       11.40426        1.36823
  C       20.12364       -9.78134        1.37276
 Se       -3.50899        0.25227        1.38424
  C      -24.89401       -0.68749        1.40115
  C      -19.11762      -12.22001        1.42015
  C      -11.18294        7.59102        1.45059
  C       10.60454        7.56767        1.46243
  C        9.83493        2.39139        1.46921
  C       -2.81336        8.10315        1.48659
  C        2.23466        7.05824        1.51813
  S       -0.02838       -5.65895        1.52464
  C       -8.98267       12.71687        1.54245
  N        8.16705       -3.38621        1.54557
  O       -7.81458       -1.53710        1.56939
  S        1.96104      -11.88637        1.57748
  C        6.44539        3.75568        1.58707
  S        0.58624       -9.32104        1.62642
  S       20.25873       14.58842        1.64775
  C       -4.73830       -5.04714        1.65723
  S      -18.98253       12.14976        1.69514
  C       20.77092       -2.18507        1.70220
  C       -4.34300       10.86097        1.73769
  C      -18.47034       -4.62374        1.74959
  S       21.67134       12.02309        1.75401
  N       -7.60973      -11.58909        1.76473
  C        5.29513       -9.92390        1.79751
  S      -17.56993        9.58442        1.80140
  C       -6.09623       -4.79164        1.80993
  N       14.54720       -6.98860        1.83127
  C        8.40270        2.45553        1.83569
  N      -13.99112       -7.97594        1.84396
  C      -12.97922       -7.50290        1.84669
  C       13.53520       -7.46074        1.85916
  C       -2.36120       -4.47148        1.88053
  C      -11.71191       -6.88995        1.88492
  O        8.37133      -13.43329        1.90730
  C        3.76207        4.31976        1.92308
  C       19.02641      -10.34075        1.92726
  S       16.98876        5.59837        1.92960
  C       12.26752       -8.07048        1.92996
  C       -2.26906        9.42144        1.96315
  C        6.65197      -10.16995        1.96550
  S       18.40160        3.03101        1.96701
  C      -20.21485      -12.77942        1.97465
  S      -22.25250        3.15970        1.97699
  C       -1.70060       -5.65080        1.98387
  C       -2.93013       10.60490        2.00035
  S      -20.83966        0.59234        2.01440
  S       20.82594       -0.47299        2.03582
  C        2.91642      -10.48554        2.04987
  C        1.68689        5.77015        2.06635
  S       22.23878       -3.04035        2.07323
  C       20.20113       12.89877        2.07557
  S      -18.41532       -2.91165        2.08322
  C       -6.66569       10.28930        2.08472
  C        2.25534       -9.30208        2.08707
  C      -12.28123        8.18984        2.12026
  S      -17.00248       -5.47901        2.12062
  C      -19.04013       10.46011        2.12296
  C       -3.77579       -4.20040        2.12714
  O       -8.38505       13.55264        2.14292
  C       11.69819        7.00930        2.16530
  C        2.34748        4.59084        2.16969
  C      -13.54892        7.58009        2.19106
  C       12.96551        7.62226        2.20353
  N       13.97740        8.09530        2.20626
  C       -8.41642       -2.33617        2.21453
  N      -14.56091        7.10796        2.21895
  C        6.08251        4.91100        2.24029
  S       17.55621       -9.46507        2.24882
  C       -5.30885       10.04326        2.25272
  N        7.59601       11.70845        2.28549
  S      -21.68506      -11.90374        2.29621
  C       18.45662        4.74310        2.30063
  C        4.32928      -10.74161        2.31253
  C      -20.78464        2.30443        2.34802
  S       18.96881      -12.03040        2.35508
  C        4.72458        5.16649        2.39299
  S      -20.27245      -14.46907        2.40247
  S       -0.59995        9.44039        2.42381
  C       -6.45911       -3.63632        2.46315
  S       -1.97476       12.00573        2.47274
  O        7.80086        1.65646        2.48083
  N       -8.18076        3.50556        2.50465
  C        8.96895      -12.59751        2.50777
  S        0.01466        5.77831        2.52558
  C       -2.24838       -6.93888        2.53209
  C        2.79964       -7.98380        2.56364
  C       -9.84865       -2.27203        2.58101
  C      -10.61826       -7.44832        2.58779
  C       11.16922       -7.47166        2.59963
  C       19.10391       12.33937        2.63007
  C       24.88030        0.80685        2.64907
 Se        3.49527       -0.13291        2.66598
  C      -20.13736        9.90070        2.67746
  C        7.01021      -11.28490        2.68199
 Se        5.11549       -3.23379        2.68981
  C      -12.13703        9.49372        2.69536
  C      -14.36097       -1.63182        2.69646
  O       -7.83129       -3.44599        2.70010
  C       -9.36551       -6.79803        2.70272
  S        1.38865        3.22008        2.71788
  C        9.91557       -8.11416        2.74910
  C       22.40185       -0.52420        2.79128
  C       -4.19009       -3.05879        2.79279
  C       -0.51725       11.12463        2.80970
  C       11.54984        5.74141        2.81150
  C       23.03412       -1.66765        2.81879
  C        7.48310       10.71750        2.82258
  C       19.55020        5.33428        2.82438
  C      -16.83942       -2.96287        2.83867
  C      -16.20714       -4.10632        2.86618
  C      -19.69107        2.89561        2.87177
  C       10.39868      -12.63992        2.87867
  S       17.64429       13.23883        2.91619
 Se       -4.56596      -11.67378        2.91867
  O        8.38075      -11.46093        2.93050
  C       -5.54491       -2.78205        2.95240
  S      -21.59698       10.80016        2.96359
  C       -8.07130        4.52652        2.98611
  C       -0.07097        4.11954        3.00401
  C       14.91009      -13.27216        3.03401
  C        4.73886      -11.84215        3.04073
 Se       -2.94616      -14.77096        3.06823
  C       16.75557      -10.79165        3.06835
  C        6.03857       -1.56548        3.06912
  C       25.65908       -0.34511        3.08042
  C      -24.33118      -15.71082        3.08141
  C       17.38782      -11.93483        3.10484
  S       19.01828       10.68060        3.10849
  C       11.28233       -6.15308        3.11391
  C      -22.48569      -13.23032        3.11574
  C      -13.58218       -2.78378        3.12781
  C      -21.85345      -14.37350        3.15224
  O       11.23208       14.80245        3.15324
  S      -20.22299        8.24193        3.15589
  S       21.00770        4.45318        3.16134
  C      -10.73510       -8.73446        3.17411
  N      -12.02756       10.51468        3.17682
  O      -28.00919       12.36378        3.20063
  S      -18.23356        2.01451        3.20873
  S       19.63289        7.01852        3.21027
  C        6.09254      -12.10900        3.21679
  C       14.30836       11.29242        3.24109
  C       14.07463       -1.55317        3.25240
  S      -19.60837        4.57985        3.25766
  C      -24.93291        8.85375        3.28848
  C      -25.16664       -3.99184        3.29979
  C        0.57632       11.71581        3.33345
  C       -8.33899       -7.36638        3.34247
  N       11.43693        4.75046        3.34859
  C        8.88484       -7.50909        3.35528
  C        2.77935       -1.72735        3.36435
  C       24.34179        6.41565        3.38136
  C       -5.49191      -13.31706        3.38878
  C       12.95043       11.54791        3.39379
  C       14.12860      -12.09670        3.40008
  C        3.41160       -2.87053        3.40085
 Se       23.11333        1.10878        3.40097
  N        5.05554        8.36361        3.42781
  C       15.42830       -1.82003        3.42847
  C      -14.89948        3.97698        3.42875
  C        6.06744        8.83665        3.43055
  C        5.25708       -0.39002        3.43518
  C      -26.29084        9.10925        3.44118
  C      -25.11266      -14.53537        3.44747
 Se      -16.12793       -1.32989        3.44836
  N       -5.64741        6.91228        3.46252
  C       16.68546       11.86807        3.46438
  C        7.33475        9.44961        3.46878
  C      -23.81296       -4.25869        3.47586
  C       -6.65941        6.44015        3.49040
  O       27.41800        2.90627        3.49116
  C      -22.55581        9.42941        3.51178
  C       25.71208      -10.88013        3.51679
  O      -11.82327        0.46760        3.53855
  O       11.78642       -2.20124        3.53870
  C       25.69863        6.16960        3.54936
 Se       24.73313       -1.98839        3.55052
  C       -1.16819        3.56013        3.55851
  C       -7.92709        5.83041        3.56121
  C      -13.52919      -13.31880        3.56418
  C       17.34605       10.68876        3.56773
  O      -27.45485       -4.63991        3.58609
  C        9.76849       -1.02225        3.59052
  C      -13.54263        3.73094        3.59675
 Se      -14.50814       -4.42706        3.59791
  C      -21.89521        8.25009        3.61512
  C       21.96307        5.85401        3.63372
  C      -29.47278       -3.46092        3.63791
  C       -2.86695      -11.99453        3.65041
  S        0.63134       13.42790        3.66707
  C       21.30200        7.03747        3.67092
  C       24.35726      -10.60338        3.67641
  C       -2.23468      -13.13797        3.67791
  C      -17.27819        3.41534        3.68111
  S        2.04418       10.86054        3.70447
  C       15.27087       12.13915        3.71099
  C      -17.93926        4.59880        3.71831
  C       10.25159       -5.54802        3.72009
  C      -14.88400      -13.04205        3.72380
  C      -23.97039        9.70048        3.75838
  O       27.99846      -10.21619        3.76909
 Se       15.05168      -10.42839        3.77938
  C       13.15696       -2.37727        3.78721
  C       10.63024       14.00338        3.79838
 Se       16.67190      -13.52927        3.80322
  C       -9.70859       -9.30281        3.81386
  O      -11.24280      -12.65486        3.81648
  C       -4.71313      -14.46902        3.82012
 Se      -24.18959      -12.86705        3.82677
  C      -26.08431       -4.81594        3.83460
  C      -28.61103       11.56471        3.84578
 Se      -22.56936      -15.96793        3.85061
  C        8.99795       -6.19051        3.86956
  S       -2.63840        4.43582        3.88007
  C       30.01581      -11.39014        3.88818
  C       23.37594        5.59794        3.89639
  C       17.36752       -5.67838        3.90556
  C       -8.45584       -8.65253        3.92880
  C       -9.22545      -13.82881        3.93558
  C       22.41554       -6.72329        3.93710
  C      -15.86533        3.15927        3.94378
  C      -21.87374       -8.11705        3.95295
  C       11.19821       -1.06466        3.96143
  C      -16.82572       -9.16196        3.98449
  S       -1.22579        1.87048        3.98633
  C       26.62627      -10.02586        4.00604
  C      -28.04305       -3.50333        4.00882
  C       12.58755       12.70323        4.04701
  C      -12.61499      -12.46452        4.05343
  C       28.01561        3.74204        4.09162
  C      -26.65371       10.26457        4.09440
  S        1.19835       -1.63178        4.11411
  C       16.79828        9.40067        4.11595
  C      -11.22565        1.30337        4.13901
  C       21.84630        8.35576        4.14749
  C       15.83789       -2.92056        4.15666
  C      -22.44298        6.96200        4.16334
  C        9.19801       14.06752        4.16486
  C        8.42840        8.89124        4.17164
  C      -17.39496        5.91709        4.19488
  C      -23.40338       -5.35923        4.20405
  C      -30.04325       11.62885        4.21226
  S        2.61096       -4.19711        4.22037
  C       -9.02539        6.42922        4.23088
  C       28.58359      -11.32600        4.25466
  C       26.05687        5.05465        4.26584
  C        4.68569       14.70774        4.28032
  O       11.21536       12.89356        4.28396
  C        9.68115        9.54152        4.28658
 Se      -16.69934       13.76797        4.29722
  C      -10.65768      -13.76467        4.30206
  C      -13.18440        2.61598        4.31323
 Se      -15.07912       10.66710        4.32106
  O      -28.02590       10.45490        4.33135
  C       23.94296       -9.46177        4.34206
  C       14.85656       13.28076        4.37664
  C      -10.27903        5.78673        4.38035
  C       17.91182       -4.36009        4.38212
  C      -15.29831      -11.90044        4.38945
  S       -2.07162      -10.62183        4.39597
  C       17.25075       -3.17663        4.41933
  C        2.20724       13.37668        4.42253
  C      -24.38470       10.84209        4.42403
  C      -21.32944       -6.79876        4.42952
  S       -0.65878      -13.18919        4.43337
  C        2.83951       12.23324        4.45003
  C       29.44534        3.69963        4.46253
  C      -21.99051       -5.61530        4.46672
  C       21.86777       -8.01138        4.48532
 Se       14.48070        4.66577        4.50253
  C       13.51519       -3.49223        4.50369
  C       -9.79593        1.26096        4.50992
  O       27.42741        4.87862        4.51435
  C      -17.37349      -10.45005        4.53271
  C       13.50175       13.55751        4.53626
  C        7.89965       -5.59170        4.53923
  C        1.14075       -3.32142        4.54193
  C      -25.72607       -5.93089        4.55108
  O      -11.81386        2.43995        4.56174
  O       11.79583       -0.22889        4.56189
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  C       22.52837       -9.19070        4.58866
  O      -27.44543       -2.66755        4.60928
  C        6.63197       -6.20144        4.61003
  C       23.78552        4.49740        4.62458
  C       -7.36219       -9.21090        4.63166
  C      -16.71290      -11.62936        4.63606
  N        5.61997       -6.67357        4.63792
 Se       16.10050        1.56860        4.65208
  C       26.26340       -8.87054        4.65926
  C       -5.28452        0.62873        4.66526
  C       -6.09487       -8.59794        4.66989
  C       14.87204       -3.73827        4.67169
  C      -15.45574        2.05874        4.67197
  N       -5.08298       -8.12490        4.67263
  C       -3.43904        3.10924        4.69959
  C      -14.15604       12.33541        4.70036
  C      -12.97787      -11.30920        4.70665
  C        5.46447       13.55577        4.71166
  C      -24.36923       -6.17694        4.71908
  C       -2.80679        1.96606        4.73609
  C       -8.91227        7.74780        4.74516
  N      -11.46437       -4.51175        4.75185
  C        8.31155        7.60509        4.75797
  C       -0.60376      -11.47710        4.76699
  C       25.13920        4.23055        4.80065
  C       24.90547       -8.61504        4.81196
  S       19.58093       -4.34114        4.84278
  C      -14.10206        1.79188        4.84804
  C      -14.33579      -11.05371        4.85935
  C       -6.11998       12.34771        4.88365
  S      -19.66033       -6.77981        4.89017
  S       18.20612       -1.77580        4.89171
  O       27.98175      -12.12507        4.89981
  N       12.00012      -10.27597        4.92362
  C       10.70766        8.97317        4.92633
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  S       20.19555       -8.00322        4.94455
  O      -11.25952      -14.56374        4.94720
  C       13.55475        3.02249        4.97263
  C      -11.30977        6.39179        4.98653
  S      -19.04572      -10.44189        4.99195
  C      -17.41525       12.17354        4.99560
  C       -6.06601        1.80419        5.03132
  C      -16.78301       11.03036        5.03209
 Se        2.91872       15.00967        5.03221
  C       -4.76630       12.08086        5.05971
  C      -14.93752       13.51087        5.06643
  C        0.04353       -3.88083        5.09643
  C        8.04386       -4.28781        5.11433
  S       21.56954      -10.56145        5.13685
  C        5.51747        3.02076        5.14804
  O       -8.40819       11.69964        5.16994
 Se        4.53852       11.91249        5.18177
  S      -17.67173      -13.00012        5.18425
  C      -10.42612       12.87863        5.22177
  C       19.66363       -2.65690        5.22867
  C       16.17970        4.34502        5.23426
  C       16.81198        3.20158        5.26177
  C      -19.57763       -5.09557        5.27606
  C       -7.51053      -10.47879        5.27786
  C      -11.57728       -5.50270        5.28894
  C        0.48981      -10.88592        5.29074
  C        4.16266        3.29750        5.30765
  C       -9.94301        8.35287        5.35134
  S       -1.41609       -2.98137        5.38256
  C        9.33807        7.03674        5.39772
  O        7.80385        3.68470        5.40034
  C       14.33353        1.87053        5.40398
  C       12.10959       -9.25501        5.40508
 Se       -5.14293        3.47250        5.41063
  C       -7.03765       11.52361        5.41845
  C       20.10992       -9.66199        5.42298
 Se       -3.52271        0.37162        5.43446
  C      -19.13134      -12.10066        5.47037
  C      -11.19666        7.71037        5.50080
  C       10.59082        7.68703        5.51265
  C        9.82121        2.51074        5.51943
  C       -2.82708        8.22250        5.53680
  C        2.22094        7.17760        5.56835
  S       -0.04210       -5.53960        5.57486
  C       -8.99639       12.83622        5.59267
  N        8.15333       -3.26685        5.59579
  O       -7.82830       -1.41775        5.61961
  S        1.94732      -11.76702        5.62770
  C        6.43167        3.87503        5.63729
  S        0.57251       -9.20168        5.67663
  C       -4.75202       -4.92778        5.70745
  S      -18.99625       12.26911        5.74536
  C       20.75720       -2.06572        5.75242
  C       -4.35672       10.98032        5.78791
  C      -18.48406       -4.50439        5.79981
  N       -7.62345      -11.46974        5.81495
  C        5.28141       -9.80455        5.84772
  S      -17.58365        9.70378        5.85162
  C       -6.10995       -4.67229        5.86015
  N       14.53347       -6.86925        5.88149
  C        8.38898        2.57488        5.88591
  N      -14.00484       -7.85659        5.89418
  C      -12.99294       -7.38355        5.89691
  C       13.52148       -7.34138        5.90938
  C       -2.37492       -4.35213        5.93075
  C      -11.72563       -6.77059        5.93514
  O        8.35761      -13.31394        5.95752
  C        3.74835        4.43911        5.97330
  C       19.01269      -10.22140        5.97748
  S       16.97504        5.71773        5.97982
  C       12.25380       -7.95113        5.98018
  C       -2.28278        9.54079        6.01337
  C        6.63825      -10.05060        6.01572
  S       18.38788        3.15036        6.01722
  C      -20.22857      -12.66007        6.02487
  C       -1.71433       -5.53144        6.03409
  C       -2.94386       10.72425        6.05057
  S       20.81222       -0.35363        6.08604
  C        2.90270      -10.36619        6.10009
  C        1.67316        5.88951        6.11657
  S       22.22506       -2.92099        6.12345
  S      -18.42904       -2.79230        6.13343
  C       -6.67941       10.40866        6.13494
  C        2.24162       -9.18273        6.13729
  C      -12.29496        8.30919        6.17048
  S      -17.01620       -5.35966        6.17084
  C      -19.05385       10.57946        6.17318
  C       -3.78951       -4.08105        6.17736
  O       -8.39877       13.67200        6.19314
  C       11.68447        7.12866        6.21552
  C        2.33376        4.71019        6.21991
  C      -13.56264        7.69945        6.24128
  C       12.95178        7.74161        6.25375
  N       13.96368        8.21465        6.25648
  C       -8.43014       -2.21682        6.26475
  N      -14.57464        7.22731        6.26917
  C        6.06879        5.03035        6.29051
  S       17.54249       -9.34572        6.29904
  C       -5.32257       10.16261        6.30293
  S      -21.69878      -11.78438        6.34643
  C       18.44290        4.86245        6.35085
  C        4.31556      -10.62226        6.36275
  S       18.95509      -11.91105        6.40530
  C        4.71086        5.28584        6.44321
  S      -20.28617      -14.34971        6.45269
  S       -0.61367        9.55974        6.47402
  C       -6.47283       -3.51697        6.51337
  S       -1.98848       12.12508        6.52296
  O        7.78714        1.77581        6.53105
  C        8.95523      -12.47816        6.55798
  S        0.00094        5.89766        6.57580
  C       -2.26210       -6.81953        6.58231
  C        2.78592       -7.86444        6.61385
  C       -9.86237       -2.15268        6.63123
  C      -10.63198       -7.32896        6.63801
  C       11.15550       -7.35231        6.64985
  C       24.86658        0.92620        6.69929
  C      -20.15108       10.02006        6.72768
  C        6.99649      -11.16555        6.73221
  C      -12.15075        9.61308        6.74558
  C      -14.37469       -1.51246        6.74668
  O       -7.84502       -3.32663        6.75032
  C       -9.37923       -6.67868        6.75294
  S        1.37493        3.33943        6.76810
  C        9.90185       -7.99480        6.79932
  C       22.38812       -0.40485        6.84150
  C       -4.20382       -2.93944        6.84300
  C       -0.53097       11.24398        6.85992
  C       11.53612        5.86076        6.86172
  C       23.02040       -1.54829        6.86901
  C       19.53647        5.45363        6.87460
  C      -16.85314       -2.84352        6.88889
  C      -16.22087       -3.98696        6.91640
  C       10.38496      -12.52057        6.92889
  O        8.36703      -11.34158        6.98072
  C       -5.55863       -2.66269        7.00262
  S      -21.61070       10.91952        7.01381
  C       -0.08469        4.23889        7.05423
  C       14.89636      -13.15280        7.08423
  C        4.72514      -11.72279        7.09095
  C       16.74185      -10.67229        7.11857
  C       25.64536       -0.22576        7.13063
  C      -24.34490      -15.59147        7.13163
  C       17.37409      -11.81547        7.15506
  C       11.26861       -6.03373        7.16413
  C      -22.49942      -13.11096        7.16596
  C      -13.59591       -2.66443        7.17803
  C      -21.86717      -14.25414        7.20246
  S      -20.23671        8.36129        7.20610
  S       20.99398        4.57253        7.21156
  C      -10.74883       -8.61511        7.22433
  N      -12.04128       10.63403        7.22704
  O      -28.02291       12.48313        7.25085
  S       19.61917        7.13787        7.26049
  C        6.07882      -11.98965        7.26701
  C      -24.94663        8.97310        7.33870
  C        0.56260       11.83516        7.38367
  C       -8.35272       -7.24703        7.39269
  N       11.42321        4.86982        7.39881
  C        8.87111       -7.38974        7.40550
  C       24.32807        6.53500        7.43158
  C       14.11488      -11.97734        7.45030
 Se       23.09961        1.22813        7.45119
  C      -26.30456        9.22860        7.49140
  C      -25.12639      -14.41601        7.49769
 Se      -16.14165       -1.21053        7.49858
  O       27.40427        3.02562        7.54138
  C      -22.56953        9.54876        7.56200
  C       25.68491        6.28896        7.59957
 Se       24.71940       -1.86904        7.60074
  C       -1.18191        3.67949        7.60873
 Se      -14.52186       -4.30771        7.64813
  C      -21.90893        8.36944        7.66534
  C       21.94935        5.97336        7.68394
  S        0.61762       13.54725        7.71729
  C       21.28828        7.15682        7.72114
  S        2.03046       10.97989        7.75469
  C       10.23787       -5.42867        7.77031
  C      -23.98412        9.81984        7.80860
 Se       15.03796      -10.30903        7.82960
 Se       16.65818      -13.40991        7.85344
  C       -9.72231       -9.18346        7.86408
 Se      -24.20331      -12.74770        7.87699
  C      -28.62475       11.68407        7.89599
 Se      -22.58309      -15.84858        7.90083
  C        8.98423       -6.07116        7.91978
  S       -2.65212        4.55517        7.93029
  C       23.36222        5.71729        7.94661
  C       -8.46956       -8.53317        7.97902
  S       -1.23951        1.98984        8.03654
  C       28.00189        3.86139        8.14184
  C      -26.66743       10.38392        8.14462
  C       21.83258        8.47511        8.19771
  C      -22.45671        7.08135        8.21356
  C      -30.05698       11.74821        8.26248
  C       26.04315        5.17400        8.31606
  C        4.67197       14.82709        8.33053
  O      -28.03962       10.57425        8.38157
  C        2.19352       13.49604        8.47275
  C      -24.39842       10.96145        8.47425
  C        2.82579       12.35259        8.50025
  C       29.43162        3.81898        8.51274
  O       27.41369        4.99797        8.56457
  C        7.88593       -5.47234        8.58945
  C      -25.75324       11.23819        8.63387
  C        6.61825       -6.08209        8.66025
  C       23.77180        4.61676        8.67480
  C       -7.37591       -9.09154        8.68188
  N        5.60625       -6.55422        8.68814
  C       -5.29824        0.74808        8.71548
  C       -6.10860       -8.47859        8.72011
  N       -5.09670       -8.00555        8.72285
  C       -3.45276        3.22859        8.74981
  C        5.45075       13.67513        8.76188
  C       -2.82051        2.08541        8.78631
  C       25.12548        4.34990        8.85087
  C       -6.07973        1.92354        9.08154
 Se        2.90500       15.12902        9.08243
  C        8.03014       -4.16846        9.16455
 Se        4.52480       12.03185        9.23199
  C       -7.52426      -10.35944        9.32808
 Se       -5.15665        3.59185        9.46085
 Se       -3.53643        0.49097        9.48468
  N        8.13960       -3.14750        9.64601
  N       -7.63717      -11.35038        9.86517
