234
XYZ file for : 3 in space group P21/n
  O        4.08532        1.53521       -6.05362
  H       -8.09737        1.34038       -5.60910
  H       -9.81141        2.61638       -4.78229
  C       -8.10372        1.59162       -4.71269
  N        4.15251        1.45872       -4.81484
  H        1.73786       -4.05029       -4.65711
  C       -9.10783        2.38699       -4.21893
  H       -6.43966        0.60322       -4.18276
  O        5.14144        1.98638       -4.16740
  H        1.03219       -2.00083       -4.21238
  H      -11.76687       -0.42985       -3.41103
  H       -0.58888       -6.92405       -3.93480
  O        3.20484        0.92943       -4.13820
  H        8.20278        0.41265       -3.79572
  C       -7.11133        1.16811       -3.86903
  H        9.40241        1.32046       -3.34742
  C        1.81034       -3.81055       -3.72972
  H        2.72556       -3.61470       -3.52079
  H       -2.18682       -5.30337       -3.44496
  H       -0.09919        2.64847       -3.56958
  H        7.93086        1.84228       -3.21309
  C        8.49454        1.07005       -3.15652
  H       -1.11234       -1.21000       -3.52491
  C        0.97602       -2.61061       -3.46165
  C       -9.11947        2.86274       -2.92673
  H      -12.91875       -0.84415       -2.43306
  C      -11.99337       -0.59325       -2.49299
  H        1.50531       -4.54069       -3.18749
  C       -0.76192       -6.69080       -3.05179
  O       -0.34525       -2.97682       -3.25759
  H      -11.27610       -2.50479       -2.48708
  H       -9.78187        3.43867       -2.62374
  H       -2.16499       -2.30311       -3.13741
  H        0.59310        1.31897       -3.11194
  H       -0.96198        1.47988       -2.98201
  C       -1.27348       -1.97281       -2.94720
  C       -1.71093       -5.72259       -2.76375
  O        5.60655       -0.61801       -2.76706
  C       -0.12016        1.93688       -2.92787
  H       -4.78403        2.31068       -2.77867
  O        3.70400        5.57352       -2.61020
  C       -7.11024        1.59266       -2.53425
  H      -11.84346        0.20363       -1.97838
  O        5.01484       -2.69971       -2.58096
  H        1.31126       -2.14964       -2.67544
  C      -11.14263       -1.70042       -1.95902
  H       -7.29713       -1.36801       -2.33672
  O        2.92749        3.55082       -2.53149
  H        0.50096       -7.97059       -2.26309
  N        4.74350       -1.48676       -2.46637
  O       -9.76053       -1.30201       -2.01709
  N        3.89815        4.40231       -2.37421
  H       -0.40331        4.86926       -2.40592
  H       -8.89689       -3.05057       -2.01526
  C       -8.07081        2.42904       -2.08168
  C       -0.09623       -7.29108       -2.05938
  H       -4.35498       -5.58785       -2.03870
  O        5.01595        3.97578       -2.00670
  H       -4.08010        1.06440       -2.14419
  N        8.41801        0.50704       -1.80400
  H       11.55512       -3.45293       -1.32136
  H        7.88467       -2.04462       -1.78298
  H        9.31098       -3.83140       -1.55147
  H       12.43989       -1.33062       -1.21295
  C       -4.71683        1.76805       -1.99149
  C       10.98141       -2.72391       -1.37939
  C        9.63748       -2.95952       -1.52876
  C        8.79293       -1.90395       -1.64088
  O        3.59984       -1.11327       -2.03157
  C       11.52271       -1.45299       -1.31089
  H       -2.09228        6.40141       -1.80758
  C       10.67531       -0.37827       -1.38906
  H       11.00868        0.49140       -1.34045
  C        9.29533       -0.60228       -1.54424
  C       -8.89823       -2.24722       -1.47384
 Pr        4.29041        1.41609       -1.81592
  N       -5.99861        1.19572       -1.69236
  C       -1.01299        4.65107       -1.73765
  H       -4.90394       -4.17947       -1.61013
  H      -11.39065       -1.89359       -1.04197
  C       -7.53731       -1.64503       -1.43931
  C       -1.93496       -5.39001       -1.43971
  H       -8.04281        2.72475       -1.19990
  O        6.66242        1.81976       -1.32654
  C       -4.35082       -4.92041       -1.34507
  N        0.05488        2.50340       -1.55294
  C       -2.01298        5.58004       -1.37796
  C       -1.22545       -1.50479       -1.51210
  H       -6.90287       -2.32474       -1.16376
  H       -4.42617        2.30849       -1.25374
  H       -1.93250       -0.85536       -1.37252
  H       -0.37991       -1.05463       -1.35770
  O        1.86338        1.20338       -1.27820
  C        7.46131        0.96786       -0.96357
  N       -2.95608       -4.44317       -1.12248
  C       -0.92219        3.46507       -1.13868
  H       -9.18119       -2.48146       -0.57649
  H       -8.14439        0.19036       -0.67969
  C       -0.26265       -6.93331       -0.74121
  C       -6.10851        0.28522       -0.73287
  H        3.33872       -3.78600       -0.79692
  C        1.13162        2.08540       -0.87156
  H       -4.69316       -5.29980       -0.53374
  C       -7.40805       -0.42939       -0.49312
  H        1.58956        5.89680       -0.52072
  H       -0.72012       -3.35867       -0.63041
  C       -2.82057       -3.24689       -0.58529
  C       -1.21345       -5.97257       -0.41961
  C       -2.87128        5.20952       -0.35535
  C       -1.38472       -2.65758       -0.46098
  H        0.12592        7.62813       -0.12803
  H        0.25122       -7.32791       -0.07667
  O       -3.77771       -2.54788       -0.25353
  H       -3.54561        5.79775       -0.09659
  C        2.76489       -3.97794       -0.09108
  H        1.74960       -2.26014       -0.16911
  O       -5.08635       -0.01307       -0.04695
  C       -1.82531        3.11736       -0.10440
  H      -12.39303        1.38762        0.79791
  O        5.07452       -0.00714        0.07551
  H        9.25959        2.37360        0.54140
  H      -11.55471        3.47804        0.93665
  H        3.54816       -5.73933        0.32322
  C        1.38890        6.14190        0.35550
  C       -2.75839        4.04734        0.26261
  C        7.45106        0.43149        0.46612
  H       11.44475        1.71275        0.94743
  C      -11.49205        1.52104        0.98912
  O        3.74246        2.55170        0.30423
  C        1.79869       -3.08113        0.26380
  H        8.19247       -0.19197        0.59666
  H       -1.36230       -5.72628        0.46558
  H       -1.78296        2.28465        0.30913
  C        0.50151        7.15820        0.58205
  C      -10.97898        2.75792        1.06573
  C        2.88390       -5.13864        0.57835
  H      -10.97252       -0.43358        1.18874
  C        1.34539        2.70894        0.51946
  C        6.09261       -0.29164        0.70666
  H        4.61253        5.69242        0.82994
  C      -10.63701        0.43470        1.20366
  C        2.78333        3.28512        0.63118
  C       -7.53658       -0.91478        0.95265
  H        0.68748        3.41662        0.67558
  C       -9.66152        3.02976        1.32319
  H       -9.34423        3.90487        1.35190
  H        8.11326       -2.68748        1.17402
  H        4.98699        4.18316        1.02939
  H       -3.33025        3.85641        0.96990
  H        6.95626        2.31915        1.19523
  C       -1.16479       -2.05692        0.90209
  C       -9.31512        0.64992        1.43266
  N        2.96345        4.50261        1.09356
  C        8.99491        2.14467        1.44500
  C       -8.82996        1.95765        1.53563
  O       -6.72743       -1.79866        1.33401
  H       11.63259       -0.43810        1.87544
  C        4.41392        4.89539        1.32315
  C       11.21036        1.49792        1.86355
  H       12.88829        0.47364        2.10874
  H        4.20397       -1.95322        1.21351
  C        7.56998        1.61322        1.45212
  C        1.99325        5.47252        1.38925
  C        0.87455       -3.38923        1.27935
  O       -1.95726       -1.19111        1.32250
  N       -8.48564       -0.45536        1.76440
  H       -7.93716        2.10335        1.74964
  O        9.83696        1.15258        1.95121
  H        1.84810        0.87925        1.42843
  C        2.05820       -5.46257        1.62357
  C       11.95866        0.35187        2.31559
  H        9.05301        2.94333        1.99572
  N        6.03272       -1.21096        1.69232
  H        0.30663        1.14546        1.46825
  C        0.17987        7.47261        1.88690
  C        1.17632        1.55852        1.59180
  H       11.40079        2.26989        2.42174
  C        8.13255       -2.40664        2.05975
  N       -0.14042       -2.43365        1.65597
  H       -0.41807        8.16241        2.06240
  O       -5.03911       -4.02339        1.94648
 Pr       -4.35059       -1.45597        1.86001
  C        1.02184       -4.54408        1.95195
  H        2.17121       -6.25418        2.09966
  H        9.87207       -3.32792        2.53781
  C        4.70313       -1.81278        2.02144
  H        4.55824        5.05460        2.26057
  H        7.33363        1.31906        2.34505
  O       -3.62797        1.03991        2.14570
  N       -3.85790       -4.40478        2.36342
  C        7.13244       -1.59518        2.53111
  O       -3.68879       -5.63635        2.50754
  H        4.83200       -2.65095        2.46576
  C        9.17289       -2.81458        2.87995
  O       -2.95627       -3.54374        2.50962
  H       11.85180        0.25629        3.26474
  N       -4.74256        1.46527        2.54997
  C        1.67396        5.78610        2.68275
  H        4.21694       -1.21661        2.59672
  H        0.43717       -4.74524        2.64586
  O       -4.95826        2.65121        2.75183
  O       -5.61827        0.57685        2.81480
  C        0.73463        6.77287        2.93039
  C       -8.58335       -1.01646        3.14512
  H       -9.45168       -1.40819        3.27006
  H       -1.34303        2.17892        2.78435
  H       -7.91048       -1.69350        3.26221
  C        1.28826        2.01495        2.99963
  C        0.01236       -1.88406        3.01805
  H       -0.17592       -0.94211        3.00730
  H        2.18564        2.34552        3.15727
  H       -1.66906        4.50500        3.29606
  H        2.08341        5.34096        3.38782
  O        0.33428        3.05298        3.30605
  H        0.91170       -2.02466        3.32067
  H       -8.45091       -0.31456        3.78755
  H        0.47779        6.96198        3.80352
  C       -0.97164        2.60947        3.57076
  C        7.14265       -1.23317        3.86431
  H        1.14109        1.25960        3.58926
  H       -0.59957       -2.32467        3.61132
  C        9.15800       -2.45057        4.21368
  C       -1.80001        3.81353        3.94600
  H       -2.72754        3.56807        3.96948
  H        6.46598       -0.69083        4.19999
  O       -5.20995       -2.12515        4.17738
  H        9.83599       -2.73796        4.77843
  O       -3.30022       -1.11123        4.21040
  C        8.14676       -1.66741        4.70508
  H       -0.96517        1.96699        4.29671
  H       -1.53076        4.13150        4.81138
  N       -4.24024       -1.72494        4.84506
  H        8.13702       -1.42906        5.60445
  O       -4.13148       -1.92724        6.03515
