1092
XYZ file for : NL9802 in space group Pna2(1)
  H       -2.65416       -3.22684      -15.68249
  C       -2.45345       -2.79853      -14.88202
  N       -1.15566       -2.58746      -14.57794
  H       -4.34021       -2.58182      -14.37461
  C       -3.46937       -2.42512      -14.09246
  H       11.00392       -9.02291      -12.79758
  C       -0.89752       -1.99346      -13.34051
  H      -14.22377       -1.64072      -12.69784
  H       -0.01483       -1.86313      -13.07929
  C       -3.25559       -1.80936      -12.86286
  H      -15.28167       -0.75590      -11.95165
  F       -3.92957        1.37220      -12.51901
  C       11.10816       -8.55132      -12.00310
  C      -14.75463       -1.55697      -11.90242
  C       -1.91678       -1.59035      -12.48406
  H      -15.33570       -2.31785      -11.82348
  H        9.17339       -7.89705      -11.91448
  H      -15.97111       -5.44579      -11.28831
  N       12.29703       -8.56998      -11.42806
  C       10.00615       -7.87510      -11.50146
  S       -4.64413       -1.46230      -11.87943
  H       -1.71814       -1.18245      -11.67222
 Br      -10.71084        2.09694      -11.11112
  H      -17.80164       -4.31993      -10.40521
  O      -12.98598       -0.33310      -10.84891
  C      -13.88887       -1.49281      -10.75364
  C      -15.86687       -4.97419      -10.49383
  F        6.80808        3.21598      -11.09175
  C       -3.86733        1.09956      -11.20324
  H      -13.36586       -2.30769      -10.69478
  H        2.18917       -4.99751      -10.94215
  C       12.47286       -7.85278      -10.28060
  F       -3.46208        3.37351      -10.82612
  C      -16.96888       -4.29797       -9.99220
  C       -4.10903       -0.22401      -10.76226
  C       10.25031       -7.15665      -10.31673
  F        7.15482        5.77125      -10.50772
  H       14.12314        3.36100      -10.02044
  N      -14.67800       -4.99286       -9.91879
  H       13.31025       -7.83346       -9.87702
  H      -14.42620       -1.42080       -9.94760
  F        9.30304       -3.61643      -10.24507
  C       -3.66792        2.12382      -10.31281
  H        3.44326       -4.40285      -10.21238
  C        2.74270       -5.05704      -10.15961
  H        3.13020       -5.93549      -10.10825
  C       11.42991       -7.15575       -9.70766
  C        7.00462        3.51726       -9.81857
  H        2.84185       -9.18884       -9.71640
  S        8.75058       -6.48689       -9.62488
  H       13.06523        4.24582       -9.27425
  C       13.59228        3.44475       -9.22503
  C        7.18055        4.86368       -9.47174
 Mn      -12.28669        1.01673       -9.23658
  H       13.01120        2.68387       -9.14608
  C      -16.72472       -3.57953       -8.80747
  F      -17.67199       -0.03931       -8.73580
 Br       17.63606        7.09866       -8.43372
  C       -4.03688       -0.36632       -9.38134
  C      -14.50217       -4.27566       -8.77133
  H       11.55229       -6.69418       -8.90970
  S        7.06868        0.86443       -9.22656
  H        4.96481       -8.65479       -8.96275
  C        9.35259       -3.89147       -8.95353
  C        2.93969       -8.75382       -8.90042
  S      -18.22445       -2.90977       -8.11561
  H       12.37580       -0.44407       -8.61091
 Br       -0.27366       -0.59930       -9.03296
  C        1.92130       -4.80561       -8.95057
  O        1.33363       -3.53956       -8.97081
  C       -3.63476        1.96387       -8.94737
  H        1.22680       -5.47934       -8.89086
  F       -4.25872       -1.63341       -8.91599
  C        7.01155        2.60241       -8.80596
  H      -13.66478       -4.25634       -8.36776
  C      -15.54512       -3.57863       -8.19839
  H      -10.21320        3.38488       -8.58614
  O       15.36092        4.66862       -8.17151
  F       -4.96191       -8.87549       -8.60111
  H       -0.95775        2.76474       -8.86424
  C        9.20115       -5.22653       -8.54525
  F        9.53378       -1.59062       -8.56033
  H        4.30630        1.88740       -8.71144
  C        5.51127        0.24505       -8.67555
  H        6.22140       -1.65739       -8.59993
  C       14.45804        3.50891       -8.07625
  C        4.22259       -8.42394       -8.45503
  H        7.42358        9.59082       -8.26128
  H       14.98104        2.69403       -8.01739
  C        4.31839        0.96676       -8.57725
  C        5.46307       -1.12999       -8.49244
  C       -3.79160        0.62952       -8.53878
  H        5.61478       11.02133       -8.05618
  C        7.39310        5.29093       -8.21090
  C        6.59027        9.25204       -8.03156
  N        1.83049       -8.45493       -8.17417
  C        9.46839       -2.87846       -8.10373
  C      -17.62244       -0.31434       -7.44426
  C        3.17579        0.28045       -8.27826
  C        5.49778       10.11290       -7.89584
  H        2.37872        0.76023       -8.25823
  C       12.48003        0.02753       -7.81644
  H        2.48090       -4.88403       -8.16241
  F       -4.69490       -6.28370       -8.05247
  S        7.92589        6.97231       -7.88985
  C        4.21199       -1.70463       -8.13348
  H        1.13093        3.39393       -8.11214
  H      -11.18185        4.27495       -7.73332
  C        6.42292        7.90188       -7.82261
  H      -15.42274       -3.11705       -7.40043
  C      -10.68405        3.44311       -7.74032
  C       -0.86775        3.23061       -8.06447
  N        3.11617       -1.00526       -8.01899
  H       10.54526        0.68180       -7.72782
  H        4.17388       -2.62043       -7.97277
  O      -11.57461        2.37309       -7.63737
  C      -17.77388       -1.64941       -7.03598
  F      -17.44126        1.98650       -7.05106
  H       -0.89515      -12.14592       -7.49313
 Br      -13.87383       -0.04913       -7.35665
  S       -3.62119        3.28218       -7.84328
  H       13.92071        3.58092       -7.27021
  N        4.26814        9.65857       -7.53717
  N       13.66891        0.00886       -7.24140
  H      -14.59924        3.13305       -7.10165
  C        5.14271        7.41382       -7.50047
  C       -1.73792      -12.46975       -7.27097
  C        7.15724        3.01462       -7.52350
  N       -1.92480      -13.81404       -7.12985
  C       11.37802        0.70375       -7.31480
  C        0.37679        3.62429       -7.61952
  C        4.15450        8.35264       -7.35871
  H        4.97890        6.50495       -7.38829
  C       -4.90654       -8.49177       -7.29066
  H       -2.64718      -10.66986       -7.21783
  F        5.95104       -4.62643       -7.37923
  C        9.27747       -5.39221       -7.18222
  F        8.17995       11.79483       -6.90509
  C       -2.77749      -11.58176       -7.09044
  C        4.37790       -7.75636       -7.26138
  C      -17.50664        0.69866       -6.59446
  C        7.33771        4.33090       -7.22082
 Mn       16.06021        6.01845       -6.55919
  C       -3.12164      -14.24698       -6.77689
  C       -1.93246        3.52912       -7.32982
  H       -3.23371      -15.16245       -6.65928
 Mn        1.17820       -2.06816       -7.32306
  H        3.31705        8.03787       -7.11242
  F       -3.76901        0.35806       -7.24573
  C       -4.72869       -7.15685       -7.02976
  C        2.02992       -7.80317       -7.04031
  C       -3.96540      -12.05362       -6.73175
  F       -6.68164        1.42727       -7.01604
  C       -4.22112      -13.42754       -6.56956
  F        8.52670       14.35010       -6.32106
  S       -5.45987      -11.08580       -6.65238
  H       18.13371        8.38660       -5.90874
  H      -16.42977        4.25892       -6.21855
  F        9.20651       -6.65979       -6.67645
  S        6.06361       -7.54322       -6.77096
  H       -9.10373        4.20312       -6.73870
  C        9.51358       -3.01719       -6.72129
  H       -5.05937      -13.76046       -6.34359
  C      -14.49500        3.60465       -6.30717
  C       -9.69812        3.45487       -6.63240
  H       -9.19019        2.64043       -6.64725
  H        3.56105        3.58133       -6.75549
  C        3.23323       -7.39682       -6.52560
  H        1.27560       -7.59806       -6.54031
  F        7.14183        2.11629       -6.50633
  C       -5.00289       -9.46157       -6.32044
  C       13.84473        0.72606       -6.09393
  N       -0.77685       -3.08859       -6.61972
  H       -1.91647       -1.48375       -6.62903
  F       -6.37006        4.01761       -6.45460
  C        9.44990       -4.36438       -6.29028
  C      -17.69756       -1.81508       -5.67295
  C      -15.59701        4.28087       -5.80553
  H       12.15622       -2.72625       -6.09297
  C       11.62218        1.42219       -6.13007
  N        0.52025        4.34578       -6.47024
  C       -1.93114       -2.40232       -6.48587
  F       10.67491        4.96241       -6.05840
  H       -0.05060       -4.95679       -6.38628
  H       -0.16316        0.83096       -6.41728
  C       -0.83232       -4.45572       -6.33936
  H       14.68212        0.74538       -5.69036
  N      -13.30613        3.58599       -5.73213
  C        8.37649       12.09610       -5.63190
  C        6.07746       -4.90432       -6.03595
  C       -3.09797       -2.97258       -6.15684
  C       -1.85015        4.26903       -6.13604
  F        7.57751        4.69019       -5.95183
  C       17.66285        8.44483       -5.06292
  H       17.16506        9.27667       -5.05592
  H       -3.85906       -2.44297       -6.10406
  H        4.81513        4.17600       -6.02571
  H      -10.15885        3.52985       -5.79311
  F      -17.76852       -3.08266       -5.16719
  C      -17.46145        0.55993       -5.21203
  C       -2.01812       -5.09409       -5.99117
  C        4.11457        3.52180       -5.97294
  C        8.55242       13.44252       -5.28507
  C       12.80179        1.42309       -5.52099
  H        4.50207        2.64335       -5.92158
  C       -3.20054       -4.33510       -5.89269
  H       -2.03102       -6.00903       -5.82491
  O       16.77229        7.37481       -4.95998
  H        3.29222       -6.91249       -5.73351
  C       -4.68011       -6.66514       -5.70288
  C       -6.67923        1.81803       -5.73377
  F        6.33715       -2.59889       -5.72675
  S        9.44443       -1.69878       -5.57031
  C       -0.56218        4.62832       -5.76812
  C        6.01756       -6.18083       -5.60658
  H        1.16650        1.40092       -5.80382
  S       10.12246        2.09195       -5.43822
  H      -11.51178       -0.71492       -5.34683
  C       12.16064       -2.29258       -5.27025
  H       -2.59813        4.50060       -5.63458
  C      -17.52513       -0.78725       -4.78101
  C        0.45944        0.74916       -5.67614
 Br        2.61492       -3.54786       -5.61708
  O        1.03479       -0.60658       -5.66358
  C       -6.47718        3.13145       -5.43230
  H        4.21372       -0.61000       -5.52974
  F      -16.30012        8.53954       -4.54914
  H       -9.48883        0.32936       -5.27712
  C      -10.76310       -1.24003       -5.18928
  F        8.48447      -11.02233       -4.96042
  S       -4.74218       -4.94544       -5.37649
  S        8.44055        9.44327       -5.03989
  H       14.12151       -2.53205       -4.89115
  C       -9.55553       -0.59239       -5.17038
  H       19.24318        9.20484       -4.06130
  C      -15.35285        4.99931       -4.62080
  N      -10.97384       -2.53308       -5.00539
 Br       14.47307        4.95259       -4.67925
  C        6.29225       -3.80749       -5.19042
  C       -4.86615       -8.96004       -5.01591
  F        9.46360       -4.63057       -4.97179
  H        8.79545       18.16967       -4.07461
  H      -14.81881        0.85088       -4.58370
  S       -6.72791       -0.89492       -5.09492
  H       12.92416        1.88467       -4.72304
  H       19.15671        7.64215       -3.96985
  C       -8.41878       -1.40096       -4.98347
  C        8.38342       11.18125       -4.61930
  C       18.64879        8.45659       -3.95501
  H       -7.82601        9.34099       -4.74064
  C       10.72447        4.68738       -4.76686
  H      -10.03922       -7.36901       -4.69270
  C      -13.13030        4.30319       -4.58467
  H        6.98665       19.60017       -3.86952
  C       10.97459       -1.73876       -4.75019
  C       -9.87284       -3.29648       -4.77713
  C       13.33715       -2.18066       -4.53666
 Br       16.78787       -1.07539       -4.22005
  H       -0.45255        5.09920       -4.97395
 Br        1.09821        7.97954       -4.84630
  C       -8.58613       -2.75112       -4.77452
  N       -9.25540        8.05562       -4.55527
  C       -4.74541       -7.66704       -4.74146
  S      -17.53060        1.87834       -4.06105
  C       -8.00979        8.44451       -4.57178
  C        7.96214       17.83088       -3.84489
  H       -9.97905       -4.20633       -4.61738
  H        5.67818       10.46625       -4.52478
  H        6.33668       -0.07595       -4.77608
  O        2.70550        5.03928       -4.78414
  C       -6.76700        0.86230       -4.74188
  C        6.86965       18.69174       -3.70917
  F       10.90565        6.98822       -4.37366
  F        8.98384       -8.48248       -4.41702
  S      -16.85257        5.66907       -3.92895
  C        6.88314        8.82389       -4.48889
  H       -7.84949       -3.29809       -4.63264
  C        3.29318        3.77323       -4.76391
  C        8.76497       13.86977       -4.02424
  C        4.31156       -0.17498       -4.71376
  C        5.69026        9.54561       -4.39059
  H        2.59868        3.09951       -4.70419
  H        7.59327        6.92145       -4.41327
  C       10.57302        3.35231       -4.35858
  C       -9.50385        6.79496       -4.28543
  H      -12.29291        4.32250       -4.18109
  C      -14.17324        5.00021       -4.01172
  S        9.29776       15.55116       -3.70319
  H      -10.39542        6.53910       -4.21098
  C       -6.91944        7.55937       -4.34382
  H       -6.04308        7.86999       -4.32779
  C        7.79479       16.48072       -3.63594
  C        6.83495        7.44886       -4.30578
  H       16.62757       -3.90186       -3.70299
  H       15.36753       -4.83394       -3.73942
  H       -0.59701        1.90615       -4.46625
  C        6.08509       -6.37219       -4.24137
  F       -3.59004       -0.29665       -4.41445
  C       -0.22856        1.01936       -4.44043
  N        5.64001       18.23741       -3.35051
  C       -8.55318        5.83106       -4.10356
  C       -7.21041        6.21653       -4.14713
  C      -14.81439        1.28454       -3.76099
  C        4.54766        8.85929       -4.09160
  F      -17.51143       -1.05345       -3.46252
  H        3.75060        9.33908       -4.07157
  C        5.59446        0.15490       -4.26837
  C       10.84026        5.70038       -3.91706
  F       -4.93548       -9.80629       -4.00337
  H       -0.93697        0.38212       -4.32208
  H       17.25688       -6.08622       -3.32089
  C      -10.00953       -6.93063       -3.87239
  H       18.18805        8.53157       -3.11571
  C       -6.36926        3.54867       -4.14772
  H       -8.78927        4.94333       -3.95548
  C      -16.25056        8.26450       -3.25760
  C        8.69126      -10.60813       -3.67319
  C        6.51458       15.99267       -3.31380
  C        5.58386        6.87421       -3.94682
  C        5.52638       16.93148       -3.17205
  N        4.48804        7.57359       -3.83232
  H        3.85277        3.69482       -3.97574
  F        6.06752       -7.62230       -3.75780
  C        6.40536       -4.05833       -3.85376
  N        3.20237        0.12391       -3.98751
  C      -16.00044        1.83836       -3.24093
  H        6.35077       15.08380       -3.20163
  C       16.05657       -4.46989       -3.16280
  H        5.54575        5.95841       -3.78610
  F      -16.06938       10.56535       -2.86439
  C        8.52911       11.59346       -3.33684
  S       -5.81675        5.20581       -3.76124
  F       -3.32303        2.29515       -3.86580
  C        8.94148       -9.33230       -3.40599
  N      -11.10835       -6.40157       -3.40791
  H      -14.05087        5.46179       -3.21377
  C       11.06429       -1.10655       -3.51365
  H      -12.85352        1.04507       -3.38188
  H       -8.00715       -7.28209       -3.51955
  N       13.37949       -1.55804       -3.28716
  H        4.68892       16.61671       -2.92576
  C      -16.40201        6.92944       -2.84931
  C        8.70958       12.90975       -3.03415
  H       10.98344      -12.93005       -2.86986
  S        8.05682      -13.24603       -3.00284
  H        0.38971        0.95072       -3.70931
  F       -4.69507       -7.23209       -3.44548
  H       12.67162      -14.46879       -2.51375
  C       -6.72168        1.31172       -3.47168
  C       10.77632      -13.81925       -2.69273
  C        6.28243       -5.32586       -3.39105
  C      -13.63788        1.39646       -3.02739
  C       -8.76745       -6.86695       -3.18139
  C       16.86278       -5.58195       -2.60334
  C       11.78629      -14.74880       -2.46740
  C        9.43388      -14.24341       -2.64995
  H       10.30044       -0.73307       -3.14004
  C      -16.13477        9.27750       -2.40779
  F        7.32292        3.95241       -3.19257
  C       10.64934        3.18664       -2.99556
  C        9.20722      -15.58948       -2.37885
  H        0.47672       -3.56708       -3.30647
  N       11.51502      -16.08730       -2.17497
  C        8.59899      -11.60646       -2.71026
  H        8.33363      -15.90231       -2.34018
  C       12.22255       -1.02145       -2.84574
  C       10.21458      -16.44805       -2.17148
 Mn        2.55008        6.51068       -3.13639
  C       -6.50260        2.65242       -3.12727
  F       -5.30977       10.00611       -2.82938
  H       10.00568      -17.34087       -2.01744
  C        5.74978        0.82249       -3.07472
  C       -3.53467        0.08707       -3.10400
  C       -0.36604       -3.89091       -3.08431
  H       -1.27530       -2.09102       -3.03117
  H       17.55811       -5.22453       -2.04628
 Br      -10.18716        2.50173       -2.71078
  N       -0.55293       -5.23520       -2.94318
  H       16.29806       -6.15726       -2.08139
  H        3.97888       -3.03012       -2.90852
  C       10.88545        5.56165       -2.53463
  S        6.95197       -2.73538       -2.78056
  C       -1.40562       -3.00291       -2.90378
  O       15.46013       -3.70061       -2.16224
  C        3.40179        0.77567       -2.85365
  C       -3.35682        1.42200       -2.84309
  F        8.51371       10.69514       -2.31966
  F       10.57838        1.91906       -2.48979
  F       -4.99819       12.59646       -2.26794
  C      -15.91074        2.47057       -2.00438
  S        7.43548        1.03562       -2.58430
 Mn       15.31765       -1.49503       -2.02314
  H       -2.76795       -9.67839       -2.42541
  C      -11.06102       -5.81264       -2.23542
  C       -1.74977       -5.66814       -2.59023
  H      -11.60750       -1.25682       -2.23016
  H       -1.86183       -6.58360       -2.47262
  C       -2.59353       -3.47478       -2.54509
  H       -0.54459        7.09510       -2.44237
  O       15.18742        0.71364       -1.89884
  C        9.08362       -8.83149       -2.10176
  F       -6.86860        0.42704       -2.42604
  H       13.52809        5.85260       -1.90630
  H       14.55902        3.21675       -1.88805
  H       12.29942       -3.79166       -2.04183
  S       -4.08800       -2.50696       -2.46571
  F        8.94938       13.26903       -1.76516
  N        0.59503        5.49025       -2.43306
  F        5.32242      -11.81441       -2.02134
  H       13.22783        2.39266       -1.97584
  H      -10.34746       -0.32474       -2.19372
  H       10.14897       -4.66639       -2.13506
  C       10.82178        4.21447       -2.10362
  H        1.20872        9.40981       -2.23062
  H      -16.67459        2.84405       -1.63077
  H       12.22904       -0.56739       -2.03440
  C       -2.84925       -4.84870       -2.38290
  C       12.18196       -4.70641       -1.92391
  C       10.89146       -5.20892       -1.99752
  C      -16.32569        6.76376       -1.48629
  C       -0.55927        6.17652       -2.29920
  C        4.60511        1.18202       -2.33894
  H      -11.86095       -5.49543       -1.88131
  H        2.64748        0.98078       -2.35365
  N      -13.59554        2.01908       -1.77789
  C       -8.73109       -6.16287       -1.98576
  C       10.79759       -6.60431       -1.84439
  N       13.25642       -5.44055       -1.69804
  H       -3.68750       -5.18161       -2.15692
  F        6.36937       -5.58421       -2.06155
  H        1.32128        3.62206       -2.19962
  C       13.10190       -6.78913       -1.55873
  C        0.53956        4.12313       -2.15269
  C       11.85400       -7.37379       -1.61127
  C        4.20689       -2.60045       -2.11534
  C       -3.63102       -0.88272       -2.13378
  H       13.85067       -7.32401       -1.42561
  S        9.10361       -7.14931       -1.74537
  H       -9.71815       -2.50910       -1.81162
  H       11.75605       -8.28997       -1.48570
  C       -1.72610        5.60627       -1.97018
  C        7.44934        3.67452       -1.84929
  C      -16.08958        9.13877       -1.02536
  H       -2.48719        6.13587       -1.91739
  C      -10.91846       -0.89277       -1.65353
  F       -7.08326       -3.31228       -1.82896
  C      -14.75248        2.55567       -1.33647
  C        8.82560      -11.13836       -1.39335
  F       -6.47330        2.97587       -1.84473
  C       13.93021        2.68797       -1.39157
  C       -5.30736       10.39687       -1.54711
  H        2.53837        9.97977       -1.61716
  C       -2.56724       -9.25008       -1.62494
  C       -9.92735       -5.63212       -1.49505
  F      -16.39665        5.49618       -0.98052
  C        5.54629       -2.40595       -1.76650
  S       10.81630        6.88006       -1.38365
  C       -0.64624        3.48476       -1.80451
  F        7.70903        5.97996       -1.54008
  F        5.66916       -9.25914       -1.43731
  C       -1.82867        4.24374       -1.70602
  C        1.83132        9.32800       -1.48948
  C       13.53251        6.28626       -1.08359
  C       -5.10531       11.71030       -1.24563
  O        2.40666        7.97226       -1.47692
  C        9.03043       -9.80701       -1.13395
  H       -0.65915        2.56981       -1.63825
  H      -10.13990        7.86392       -1.16016
  H       -6.45414       17.91983       -0.55398
  H        4.66409        1.66636       -1.54685
  C        7.38943        2.39801       -1.41992
  N       -1.26945       -9.03901       -1.32086
  C       -3.30823        1.91371       -1.51622
  C      -16.15325        7.79159       -0.59435
 Br        3.98679        5.03098       -1.43042
  H        2.35860       -2.23563       -1.51749
  H       15.49339        6.04679       -0.70449
  H       -8.11696        8.90820       -1.09046
  C       14.60281        1.54423       -0.83227
  C       -9.39123        7.33881       -1.00262
  H       -4.45400       -9.03337       -1.11753
  C      -10.11225       -2.00483       -1.09407
  S       -7.18570       -6.22477       -1.13682
  C       -6.63791       17.02335       -0.38511
  N       -7.88353       16.63447       -0.36860
  C       -8.18366        7.98645       -0.98372
  C        3.24730       -2.14235       -1.25785
  H       13.55546        3.21734       -0.68295
  S       -3.37031        3.63341       -1.18983
  C        7.66412        4.77135       -1.00375
  C        5.51896      -11.51314       -0.74815
  H      -13.44694        9.42972       -0.39704
  H      -14.74599        3.00974       -0.52513
  N       -9.60197        6.04576       -0.81872
  F       10.83547        3.94827       -0.78512
  S       -5.35604        7.68392       -0.90826
  C       12.34647        6.84008       -0.56353
  H      -13.74720        5.96978       -0.46658
  C       14.70903        6.39818       -0.35000
  C       -3.58316       -8.87667       -0.83538
  C       -7.04691        7.17789       -0.79681
  F        9.85634       -2.44349       -0.77376
  H       -9.94750       -5.16954       -0.68799
  O      -11.51490       -0.12349       -0.65297
  C       -5.54757       16.13821       -0.15716
  F        8.74326      -12.00507       -0.36792
  H       -4.67120       16.44884       -0.14113
  C       -8.13197       15.37380       -0.09876
  S      -16.15873       10.45719        0.12562
  H      -12.41601        6.79387       -0.37879
  H       -9.02355       15.11795       -0.02432
  H       15.30361        1.84116       -0.23082
 Mn      -11.65738        2.08210       -0.51388
  H      -10.67697       -2.58014       -0.57212
  C       -5.39512        9.44114       -0.55521
  H       13.96945        1.01572       -0.31929
  C       -8.50097        5.28237       -0.59046
  C       -3.49427       -0.38120       -0.82925
  O      -11.78761        4.29077       -0.38957
  S        5.58301      -14.16596       -0.15614
  C       -7.21426        5.82773       -0.58786
  H       -9.41692       -1.64741       -0.53702
  C        5.69488      -10.16672       -0.40132
  H       -8.66734        1.20983       -0.50604
  C       -5.83854       14.79537        0.03953
  H       -8.60718        4.37251       -0.43072
  C       -7.18130       14.40990        0.08311
  C        5.82543       -1.73407       -0.58446
  C       -7.08804       -3.55846       -0.49433
  H       -6.47762        5.28075       -0.44598
 Br        0.25331       -0.17392       -0.62258
  H        0.77487       10.48499       -0.27959
  C       -3.37354        0.91180       -0.55480
  F       10.35571        0.09636       -0.23035
  C        1.14331        9.59820       -0.25376
  C      -13.04482        6.26509        0.11770
  H       -7.41740       13.52217        0.23118
  H        6.69981       -1.53570       -0.33776
  C       -4.99738       12.12751        0.03894
  F       -2.21817        8.28220       -0.22779
  H        4.73574      -16.68778        0.47048
 Br       13.83231       -1.92434        0.16745
  C      -13.44252        9.86338        0.42568
  H        0.73014       -4.19776       -0.33332
  H        0.43490        8.96096       -0.13542
  F        9.22068       -9.44118        0.16895
  C        4.02561      -14.78535        0.39486
  C       -1.01131       -8.44501       -0.08343
  C        5.52589      -12.42798        0.26445
  F       -6.65732       -1.29064       -0.13966
  H      -14.33755       -8.09227        0.55924
  C        3.97741      -16.16038        0.57797
  C       -7.24872       -4.82098       -0.02951
  C        7.45697        2.20665       -0.05471
  F      -16.13956        7.52540        0.72414
  S       -4.44488       13.78465        0.42543
  H        2.82064      -13.14299        0.35897
  F      -17.11869        1.13364        0.73551
  N        3.48346       -1.57845       -0.09593
  H       -0.32569       -3.05538       -0.11112
  C        2.83272      -14.06363        0.49316
  F       -1.95116       10.87399        0.32086
  H       -0.12862       -8.31468        0.17778
  C      -14.62857       10.41721        0.94574
  C       12.43616        7.47229        0.67301
  C        2.72633      -16.73503        0.93693
  C       -8.63765        1.64822        0.31427
  C        7.77723        4.52051        0.33290
  N       14.75136        7.02080        0.89951
  C        1.69013      -14.74995        0.79215
  H      -11.48164        9.62391        0.80478
  H        2.68822      -17.65083        1.09764
  C      -12.37222        5.12135        0.67700
  F       -3.56361       -1.22744        0.18330
  H      -13.41957        6.79447        0.82632
  C       -3.36938       -8.26091        0.39422
  C        4.72607       -1.35989        0.23755
  H        0.89306      -14.27016        0.81218
  H        1.76159        9.52956        0.47735
  C       -6.91227       -2.50927        0.35720
  C       10.06314       -2.02929        0.51348
  H       -1.25506       -5.07887        0.32769
  F        7.43940        0.95654        0.42886
  N        1.63051      -16.03565        1.05143
  C        0.20088       -3.73771        0.33696
  C       -5.34981        9.89057        0.71498
  F      -16.61932        3.67349        1.27891
  C      -12.26601        9.97531        1.15927
  H      -15.39546       -7.20745        1.30543
  H       11.67231        7.84577        1.04662
  C       10.31336       -0.75346        0.78068
  C        5.90744       -9.73947        0.85951
  H      -15.44949       -8.76940        1.43360
  N       -9.73648        2.17727        0.77876
  C      -14.86841       -8.00852        1.35465
  H       -6.63528        1.29675        0.66711
  C       -2.03056       -8.04191        0.77301
  C        7.65431        3.25298        0.79561
  C       -5.13072       11.23127        1.05939
  C       13.59443        7.55739        1.34092
  F       -4.04336       -5.07935        0.73807
  H      -13.00558        4.59284        1.18997
  H        5.93792       -5.43957        0.80914
  F       -3.32320        1.34675        0.74119
  H      -11.67142        5.41828        1.27845
  H        1.84859        5.01177        0.88019
  H       12.35532       -4.35121        1.31680
  C       -7.39558        1.71190        1.00527
  C       -2.16280        8.66591        1.08267
  S        9.42869       -4.66719        1.18382
  S        6.44023       -8.05808        1.18056
  C        5.10461       -5.77836        1.03886
  H        4.12912       -4.00907        1.01423
  C       -0.68028       -4.67541        0.98319
  C       12.14819       -5.24040        1.49393
  H       14.04349       -5.88995        1.67291
  H        4.90142       -0.94082        1.04970
  H        0.82728       15.67394        1.74429
  C        5.67158      -12.01577        1.54691
  C        4.93725       -7.12852        1.24781
  C       -1.98494       10.00084        1.34357
  H        0.09657        6.48782        1.15550
  C        1.00583        4.68794        1.10235
  H        4.92807        2.01228        1.12113
  C        4.01212       -4.91749        1.17458
  C       13.15816       -6.16995        1.71926
  C       -7.27588       -5.05322        1.31499
  C       10.80575       -5.66457        1.53671
  S        8.32384        5.84346        1.40611
  H        5.35075        5.54872        1.27815
  S       -4.75792       -7.91385        1.37764
  N        1.96690       14.06909        1.75361
 Br      -13.14272        1.65278        1.67671
  C      -16.91189        1.54784        2.02275
  C        9.97086       -3.02762        1.47641
  C      -14.53887       11.04942        2.18228
  C       -0.03375        5.57593        1.28289
  H        3.96538        3.23976        1.28060
  N        0.81894        3.34365        1.24348
  C        0.81260       14.75537        1.88746
  F       -8.16731      -13.60313        2.05437
  O        1.09451       -3.10316        1.32082
  C       10.57909       -7.01064        1.80781
  H       -0.15996       -5.35657        1.41538
  N       12.88689       -7.50846        2.01170
  C        3.65704       -7.61657        1.56995
 Mn        1.80697       -1.00623        1.39798
  H       13.60091        8.01146        2.15226
  H        9.70550       -7.32347        1.84649
  C        5.85205      -10.69949        1.84960
  H       -1.83193       -7.63400        1.58486
  C       11.58646       -7.86921        2.01519
  C      -16.66168        2.82367        2.28995
  F       -5.49673        9.00589        1.76062
  N        2.78247       -5.37183        1.53324
  H        3.49323       -8.52544        1.68212
  H      -15.30272       11.42289        2.55589
  O        2.53200        1.08431        1.48853
  H       13.67129        4.78718        2.14484
  H        2.69315       12.20090        1.98705
  C        1.91143       12.70197        2.03397
  H       11.37756       -8.76203        2.16922
  C        2.66884       -6.67775        1.71170
  C       -1.22166        5.10407        1.64157
  C       -6.87712       -2.69633        1.72422
  C       -0.37790        2.91070        1.59643
  F       -7.48804       -6.23965        1.86068
  H       -1.21337       -4.21627        1.63659
  S       -2.71613        6.07189        1.72095
  H       11.52084        3.91246        2.05161
  C       -0.35422       14.18511        2.21648
  H       -1.11531       14.71471        2.26927
  N      -12.22367       10.59792        2.40877
  C       -9.68915        2.76621        1.95124
  C       13.55383        3.87243        2.26275
  C        4.41491        2.52996        1.74580
  C       12.26333        3.36992        2.18914
  H       -0.48996        1.99524        1.71404
  C      -14.00266       -7.94436        2.50343
 Br      -10.82463       -4.35461        2.14596
  O      -13.09977       -6.78465        2.40817
  S      -17.54634       -1.09007        2.69309
  C       10.45549       -0.25265        2.08491
  H       -1.39608       -1.09955        1.76125
  C       -1.47738        3.73015        1.80376
  H      -13.47965       -8.75924        2.56230
  H        1.83139       -6.99253        1.95799
  N       14.62829        3.13829        2.48862
  F       -5.10143       11.55472        2.34193
  C       -2.25914        7.69612        2.05289
  C        5.57876        5.97839        2.07132
  H       -9.28782       -1.28360        2.13851
  C       12.16946        1.97454        2.34227
  H        2.07538      -11.44906        2.31492
  F        7.74124        2.99464        2.12511
  C       -3.98112       -5.35199        2.05384
  C      -13.38060       11.13452        2.85019
  C        0.72563       12.06360        2.38215
  H      -10.48908        3.08341        2.30536
  F        5.65617      -12.91410        2.56409
  C       -7.10426       -3.95067        2.16294
  C       14.47378        1.78971        2.62794
  C       -0.45680       12.82258        2.48064
  H       -2.31562        3.39723        2.02974
  F        6.69429       -3.23557        2.16533
  C       -7.35922        2.41597        2.20090
  C       13.22587        1.20506        2.57539
  H       15.22254        1.25483        2.76105
  F       -7.85572      -11.01278        2.61581
  C      -17.00417        0.54951        2.98567
  S       10.47548        1.42953        2.44130
  C        6.91816        6.17290        2.42016
  H        0.71272       11.14865        2.54842
  H      -14.61971       -0.77409        2.82607
  H       13.12792        0.28887        2.70097
  F       -5.71138        5.26656        2.35770
  C      -16.16928       -2.08744        3.04598
  C       -4.22282       -6.67556        2.49482
  H        5.00271        2.90402        2.40842
  C      -14.82684       -1.66328        3.00320
  C       -1.93636       10.49255        2.67044
  C        3.41380        1.65756        2.40638
  F       -3.57587       -3.07804        2.43096
  H      -17.26953       -3.74635        3.35576
  C       -8.55547        2.94672        2.69161
  H      -12.99744      -15.74532        3.72359
  C       10.19748       -2.55952        2.79332
  C      -16.39594       -3.43352        3.31708
  H      -14.53999       -7.87235        3.30947
  H        3.73047        6.34321        2.66918
  S       -1.99843       12.21225        2.99683
  C       -1.19537       -0.67124        2.56173
  C       -8.16489      -13.21237        3.33664
  F        7.04104       -0.68030        2.74936
  C      -12.24876      -16.27042        3.88113
  H       14.00935       -3.09055        3.23664
  C      -13.81687       -2.59283        3.22853
  N      -12.45950      -17.56347        4.06503
  H        3.32947      -10.85440        3.04470
  H        3.01641      -12.38704        3.14883
  H      -12.93154       -2.31282        3.18218
  H      -15.45419        7.48958        3.56087
  C       -9.13172       -0.81214        2.92517
  C        2.62891      -11.50859        3.09747
  F        6.09184      -10.34021        3.11859
  H      -13.37412       11.58858        3.66153
  C       10.40231       -1.22817        3.05271
  C      -16.51954        3.32448        3.59417
  S       -6.35129       -1.40978        2.85660
  C        4.61918        6.43649        2.92881
  C      -15.38858       -4.29209        3.52446
  H      -10.97450      -14.70104        3.79329
  C      -11.04119      -15.62279        3.90003
  H      -10.95599       -0.10939        3.15148
  H        3.87325        0.95289        2.88892
  C       -3.78170       -4.32773        2.94427
  H      -15.59748       -5.18491        3.67849
  C      -11.35850      -18.32687        4.29329
  N      -14.08814       -3.93134        3.52096
  N        0.10242       -0.46016        2.86580
  C      -14.71170        6.94704        3.69841
  H      -13.30374        8.36430        3.65411
  H      -11.46471      -19.23673        4.45303
  F       11.22821        6.13536        3.41291
  S       -5.81383        2.35407        3.04984
  C       -9.90444      -16.43135        4.08694
  S       -8.21357      -15.92532        3.97549
  C      -10.07180      -17.78151        4.29589
  C       -7.96284      -11.89894        3.63812
  H        2.91054        2.17972        3.04972
  S      -16.49955        5.00666        3.95056
  H       -3.08213       -0.45453        3.06914
  C      -13.42120        7.44956        3.77202
  C      -14.80557        5.55166        3.85154
  H       -9.33515      -18.32849        4.43777
  C       -2.12240        8.19764        3.35742
  H       -8.57563        3.40930        3.49867
  C      -10.12418       -0.11462        3.56273
  C        6.89083       -2.93429        3.43851
  C        7.19730        6.84477        3.60220
  F       11.72759        8.67521        3.95631
  F       -7.15049       -4.20566        3.51588
  C       -7.85943       -0.77312        3.52572
  C       -2.21129       -0.29782        3.35128
  C       -2.00166        9.49064        3.63186
 Br        3.34932       -1.82536        3.42633
  N      -12.34674        6.71542        3.99789
  C      -16.77755        1.01761        4.30259
  C      -13.74916        4.78218        4.08466
  C       13.47849       -3.00680        4.03205
  H       12.95144       -2.20573        3.98283
 Mn      -12.40048       -5.43482        4.02049
  F       10.11514       -3.42623        3.81874
  H        8.07168        7.04314        3.84891
  C       -8.25266      -14.16809        4.32854
  C       -5.71616        5.02038        3.69233
  H       12.89741       -3.76768        4.11100
  C      -12.50126        5.36683        4.13721
  H      -13.84711        3.86599        4.21024
  C        7.06676       -1.58787        3.78534
  C       -4.15066       -6.81787        3.87574
  C      -16.57272        2.34896        4.56198
  H      -11.75249        4.83195        4.27032
  S        6.95489       -5.58712        4.03052
  F       -5.28545        7.28820        4.04701
  N        4.85533        7.00039        4.09073
 Br       17.52227        0.64711        4.82336
  C        1.80751      -11.25716        4.30651
  H        1.11302      -11.93089        4.36622
  H       -9.31167       -5.68940        4.32977
  O        1.21984       -9.99111        4.28627
  F       10.59255       -0.86234        4.35562
  C       -5.87685        3.75786        4.15716
  N      -10.74106       -6.97477        4.51515
  H       12.26201       -6.89562        4.64616
 Br       -0.38745       -7.05085        4.22411
  F       -4.37250       -8.08496        4.34109
  C       -9.49545       -6.58589        4.49864
  C        0.36057        0.13384        4.10323
  C        6.09794        7.21895        4.42421
  C       11.43501        6.54956        4.70014
  F       -2.19173        7.35140        4.36996
  H      -11.88108       -8.49129        4.85943
  C      -10.98951       -8.23543        4.78499
  C       -3.74855       -4.48768        4.30971
  H      -12.96568        0.48657        4.74590
  C        6.89776       -3.84914        4.45112
  H      -10.32699       -3.06667        4.67094
  C       -7.85492      -11.48173        4.92269
  C       -8.40510       -7.47103        4.72659
  C       -5.54040        6.06957        4.54386
  H        6.10761       -8.10894        4.65714
  H       -1.07154       -3.68681        4.39284
  C       11.68523        7.82539        4.96734
  O       15.24713       -1.78293        5.08556
  H        1.24326        0.26417        4.36445
  C        5.39748       -6.20650        4.58153
  N      -10.02186        0.55003        4.70203
  C      -10.03884       -9.19933        4.96686
  H       -7.52874       -7.16040        4.74262
  H        4.19252       -4.56415        4.54563
  F      -16.85989        0.15089        5.32801
  C       -8.69607       -8.81387        4.92328
  H      -10.27493      -10.08707        5.11493
  C        5.34929       -7.58154        4.76464
  H       14.86725       -3.75752        5.23969
  C       14.34425       -2.94264        5.18083
  C        4.20460       -5.48479        4.67983
  C       -7.70412       -0.10553        4.71937
  C       -3.90538       -5.82203        4.71830
  C       -1.99751        0.31793        4.58088
  F       -1.95132        9.92559        4.92785
  H        2.36711      -11.33558        5.09467
  H        7.30979        3.13927        4.99580
  C       -8.20734      -13.71867        5.59873
  C        3.06200       -6.17110        4.97881
  C       12.36624       -6.42402        5.44064
  S       -7.30241       -9.82459        5.30918
  H       13.72719        4.22763        5.50346
  C        4.09820       -8.15618        5.12359
  F       -2.67149        3.49949        4.92473
  H      -14.02359        1.37139        5.49210
  C        7.27931       -1.16063        5.04618
  H        2.26494       -5.69132        4.99885
  H        6.27330        7.63802        5.23637
  C       -0.65869        0.53694        4.95968
  S       10.80056        3.91166        5.37049
  C      -13.49654        0.57032        5.54132
  H        4.06009       -9.07198        5.28431
  H       -6.87639       -0.08287        5.13924
  H      -14.07762       -0.19056        5.62027
  F      -16.38248        2.71479        5.86489
  N        3.00238       -7.45681        5.23809
  H        5.50099        4.56978        5.20089
  C       -8.80041        0.53985        5.29787
  H       15.04317       13.36602        6.33150
  C        6.47648        2.80049        5.22552
  C       13.52007        3.33844        5.68060
  H       10.43147       -5.76976        5.52926
  H       15.41537        2.68890        5.85958
  H      -11.29563       -2.17660        5.52376
  H        1.01714       -3.05762        5.14494
  C      -10.79784       -3.00844        5.51676
  O      -11.68840       -4.07846        5.61970
 Br      -13.98762       -6.50068        5.90043
  C       -0.98153       -3.22095        5.19261
  C       11.34274        5.55123        5.66307
  S        7.81210        0.52076        5.36722
  C       14.53004        2.40889        5.90593
  C        5.38399        3.66135        5.36124
  H       12.89271       12.49130        6.23827
  C       12.17763        2.91428        5.72338
  C       -7.98826      -12.37797        5.94314
  C       14.92571       12.45127        6.44941
  C        6.30913        1.45033        5.43447
  N       13.55512       -6.44269        6.01568
  S       -3.73498       -3.16937        5.41380
  C       13.63520       11.94876        6.37580
  C       -5.90401        3.52562        5.50166
  H       13.80692       -2.87063        5.98687
  C       11.26423       -5.74780        5.94228
  N       16.00017       11.71714        6.67529
  S       -3.38604        0.66500        5.56431
  C       11.95097        1.56820        5.99448
  C        7.04345       -3.43693        5.73358
  N       14.25876        1.07038        6.19836
  C       13.54133       10.55338        6.52894
  C        0.26300       -2.82726        5.63756
  C       11.82736        8.32620        6.27157
  N        4.15435        3.20701        5.71990
  H       11.07737        1.25537        6.03315
  C       12.95833        0.70963        6.20185
  C        5.02892        0.96227        5.75661
  C       15.84565       10.36855        6.81460
 Mn        1.06441       -8.51971        5.93402
  C       -5.50524        5.88251        5.91088
  F       -8.35427      -14.60335        6.64437
  H       -0.46005        0.94485        5.77152
  H       16.59442        9.83367        6.94772
  C       14.59774        9.78390        6.76205
  H        4.86511        0.05340        5.86878
  C        4.04071        1.90109        5.89836
  H       12.74943       -0.18319        6.35589
  F       -3.88280       -6.09349        6.01134
  C        7.22392       -2.12065        6.03626
  S       11.84735       10.00838        6.62796
  H       -8.69178        0.97344        6.11325
  C       -2.04625       -2.92243        5.92725
 Mn       15.94642       -0.43310        6.69789
  F       -6.11616        2.33919        6.04735
  H       -7.91594        7.29525        6.32517
  H       14.49980        8.86771        6.88763
 Br       -9.45276        4.22423        6.33262
  F       -6.79543       -5.02428        6.24103
  H        3.20326        1.58632        6.14466
  O      -11.72790        1.79419        6.59483
  C       -5.73239        4.62817        6.34960
  C       -2.60924        3.22686        6.24050
  C      -12.63078        0.63448        6.69010
  H       -9.21751       -2.24843        6.51838
  H      -12.10778       -0.18040        6.74896
  H       -9.30398       -3.81112        6.60983
  C       -9.81190       -2.99668        6.62467
  H       18.01992        1.93505        7.34834
  H        3.44726       -2.87022        6.50159
  C       11.56935        6.01933        6.97998
  C       13.73095       -5.72549        7.16314
  F       -2.20400        5.50081        6.61762
  F        7.02804       -4.33526        6.75075
  F       -7.95896      -12.05452        7.22569
  C       11.50839       -5.02936        7.12701
  C       11.77418        7.35068        7.23937
  C       -2.85095        1.90328        6.68148
  F       -6.48385       -2.43394        6.80247
  C       -7.75985        7.76670        7.11183
  H       -0.27695       -5.62059        6.83979
  N        0.40646       -2.10577        6.78683
  H       14.56833       -5.70617        7.56672
  S       -4.97942        7.16906        7.04326
  H       -9.58412        8.46945        7.33814
  F       10.56112       -1.48914        7.19867
  H      -13.16811        0.70649        7.49614
  C       -2.40983        4.25111        7.13093
  C       -1.96394       -2.18252        7.12104
  H      -10.27264       -2.92171        7.46397
  F        7.46372       -1.76136        7.30525
  H        4.70134       -2.27555        7.23136
  C       12.68800       -5.02846        7.73609
  C       17.54907        1.99328        8.19416
  C        4.00078       -2.92975        7.28414
  H        4.38828       -3.80820        7.33549
  H       17.05127        2.82512        8.20115
  C       -8.75231        8.46423        7.74940
 Br        2.50113       -9.99941        7.64000
  C       -6.79302       -4.63352        7.52330
  H      -11.62556       -7.16647        7.91025
  H        1.05271       -5.05063        7.45325
  C       -6.48756        7.80573        7.71238
  O       16.65850        0.92326        8.29710
  O        0.92100       -7.05813        7.59349
  S       10.00867       -4.35960        7.81886
  C       -0.67597       -1.82324        7.48896
  C        0.34565       -5.70240        7.58094
  F       11.48701        5.15262        8.00541
  C      -10.87689       -7.69158        8.06780
  F       -5.77861        4.37318        7.70255
  H       -9.60262       -6.12219        7.97996
  H       -2.71192       -1.95095        7.62250
  N      -11.08763       -8.98463        8.25169
  C       -9.66932       -7.04394        8.08670
  C       -6.59097       -3.32010        7.82478
 Mn      -11.02861        3.14403        8.20716
  S       -6.84170       -7.34647        8.16215
  C       -8.53257       -7.85251        8.27361
  C       -9.98663       -9.74803        8.47995
  F       11.96443        7.71651        8.54228
 Br       14.35928       -1.49896        8.57783
  H       12.81037       -4.56688        8.53404
  H      -10.09284      -10.65788        8.63970
  C       -8.69992       -9.20267        8.48255
  H       19.12939        2.75329        9.19577
  C       -2.77879        1.76098        8.06240
  H       -7.96328       -9.74964        8.62444
  C       10.61068       -1.76417        8.49021
  H       19.04292        1.19060        9.28723
  C       18.53500        2.00504        9.30207
  C       -6.88078       -5.58925        8.51520
  H       -0.56633       -1.35235        8.28313
  H       -7.93980        2.88944        8.51644
  N       -8.64999        9.12887        8.88869
 Br        0.98442        1.52799        8.41078
  N       -9.36919        1.60407        8.70181
  C       -2.37668        4.09116        8.49637
  C        3.17939       -2.67832        8.49317
  O        2.59172       -1.41227        8.47294
  C       -8.12357        1.99295        8.68530
  H        2.48489       -3.35204        8.55288
  F       -3.00063        0.49388        8.52775
  H        0.30033        4.89203        8.57950
  H       -8.95511        5.51218        8.85760
  F       10.79186        0.53667        8.88342
  C       10.45923       -3.09924        8.89849
  C       -6.33225        8.47331        8.90603
  C       -9.61763        0.34341        8.97165
  H      -10.50921        0.08755        9.04610
  C       -0.34235       -5.43219        8.81665
  H       -0.71080       -4.54540        8.79083
  C       -7.03323        1.10782        8.91326
  H       -6.15687        1.41844        8.92929
  H       -1.05076       -6.06943        8.93500
  C       -2.53351        2.75681        8.90496
  C       -8.66697       -0.62049        9.15352
  C       -7.32420       -0.23502        9.10995
  C       -6.48304       -2.90288        9.10935
  C       10.72648       -0.75117        9.34001
  H       -5.50451        8.49597        9.32591
  H       -8.90306       -1.50822        9.30160
  C       -7.42853        9.11869        9.48454
  H       18.07426        2.08002       10.14137
  H        3.73898       -2.75673        9.28133
  H        2.38901        5.52122        9.33160
  H       -9.92376        6.40224        9.71042
  C        0.39034        5.35790        9.37927
  C       -9.42596        5.57040        9.70343
  S       -5.93054       -1.24574        9.49584
  O      -10.31653        4.50038        9.80637
  H        0.27592       -5.50083        9.54777
  S       -2.36310        5.40947        9.60046
  C       -6.83547       -5.13983        9.78539
 Br      -12.61575        2.07816       10.08710
  C        1.63487        5.75158        9.82422
  H       -7.31991        9.55228       10.29991
  C       10.53555       -3.26491       10.26152
  C       -6.61638       -3.79913       10.12981
  C       -0.67438        5.65641       10.11392
 Mn        2.43629        0.05913       10.12068
  F       -2.51093        2.48535       10.19801
  C       10.77166       -0.88990       10.72245
  F       10.46459       -4.53249       10.76729
  H       -7.84564        6.33041       10.70504
  C       -8.44003        5.58217       10.81134
  H       -7.93211        4.76772       10.79649
  F       -6.98239       -6.02451       10.83104
  C       10.70799       -2.23708       11.15346
  H       13.41430       -0.59895       11.35077
  N        1.77833        6.47308       10.97350
  H        1.09493        2.95826       11.02646
  C       -0.59207        6.39632       11.30770
  F       -6.58709       -3.47568       11.41235
  H       -8.90077        5.65714       11.65063
  S       10.70251        0.42851       11.87342
  C        0.69591        6.75561       11.67562
  H        2.42458        3.52822       11.63992
  C       13.41872       -0.16529       12.17349
  H       -1.34004        6.62789       11.80916
  C        1.71753        2.87645       11.76760
  O        2.29288        1.52071       11.78016
 Br        3.87301       -1.42057       11.82666
  H       15.37960       -0.40476       12.55259
  F       10.72168       -2.50328       12.47195
  C       12.23268        0.38853       12.69355
  C       14.59524       -0.05337       12.90708
  H        0.80554        7.22649       12.46979
  H        0.66108        4.03344       12.97749
  C        1.02952        3.14665       13.00331
  H        0.32111        2.50941       13.12166
  C       12.32237        1.02074       13.93009
  N       14.63758        0.56925       14.15658
  H        1.64780        3.07801       13.73443
  H       11.55853        1.39422       14.30370
  C       13.48064        1.10584       14.59800
  H       13.48712        1.55990       15.40934
