76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.497043351496
  N      -3.594161     -3.548018      2.184704
  C      -2.662025     -4.037044      1.192712
  C      -2.225917     -5.416228      1.688635
  N      -3.312822     -5.963942      2.527458
  C      -4.440036     -6.412753      1.660472
  C      -5.738378     -6.458520      2.471561
  N      -5.718934     -5.276486      3.303440
  Mo     -4.118449     -4.342829      3.851789
  N      -3.342927     -5.655610      5.001446
  C      -2.297167     -6.590247      4.637344
  C      -2.795141     -7.125182      3.296600
  H      -2.203913     -7.398355      5.368517
  H      -1.324639     -6.087850      4.540148
  H      -3.612198     -7.828083      3.482088
  H      -2.007084     -7.637368      2.738772
  H      -6.597818     -6.463364      1.793075
  H      -5.798454     -7.355853      3.105493
  H      -4.566855     -5.706097      0.834866
  H      -4.207685     -7.394392      1.238493
  H      -1.790657     -3.383203      1.083774
  H      -3.158860     -4.081154      0.213602
  H      -1.329119     -5.325182      2.309416
  H      -2.013533     -6.087030      0.850295
  C      -4.036891     -2.235779      2.125898
  C      -3.180080     -1.135310      1.922808
  C      -3.659737      0.154722      2.025339
  C      -4.976190      0.373640      2.406800
  F      -5.403197      1.632676      2.577898
  C      -5.863246     -0.688432      2.579942
  C      -7.229888     -0.546206      3.130148
  O      -8.095012     -1.375228      2.969417
  C      -7.439375      0.653812      4.057075
  O      -8.372134      1.413854      3.946957
  C      -6.372017      0.792328      5.098019
  O      -5.387425      0.073740      5.198621
  Cl     -6.555853      2.215527      6.057960
  C      -5.399515     -1.984170      2.340625
  C      -6.843474     -4.786211      3.920868
  C      -8.144555     -5.302275      3.980133
  C      -9.092820     -4.643213      4.744772
  C      -8.775990     -3.499940      5.464375
  F      -9.711207     -2.936047      6.245032
  C      -7.488612     -2.949821      5.428658
  C      -7.053243     -1.718404      6.125337
  O      -7.739820     -0.687287      6.152091
  C      -5.663150     -1.733355      6.634603
  O      -4.836879     -2.631775      6.386493
  C      -5.257461     -0.588262      7.486296
  O      -5.911330      0.234816      8.047798
  Cl     -3.516686     -0.571574      7.660303
  C      -6.576114     -3.606739      4.627909
  C      -3.708417     -5.507241      6.329621
  C      -2.755795     -5.332469      7.352518
  C      -3.155560     -5.099188      8.651805
  C      -4.507463     -5.025275      8.952298
  F      -4.882106     -4.756363     10.212315
  C      -5.478530     -5.253127      7.976737
  C      -6.923791     -5.171253      8.231759
  O      -7.764802     -5.406328      7.394736
  C      -7.340028     -4.630268      9.603395
  O      -7.770802     -5.261992     10.520675
  C      -7.194082     -3.106140      9.586917
  O      -6.324479     -2.527383      8.995150
  Cl     -8.460654     -2.292020     10.417106
  C      -5.061147     -5.525560      6.670547
  H      -2.138295     -1.286271      1.681588
  H      -3.017023      1.004268      1.856849
  H      -6.141752     -2.775946      2.286915
  H      -8.419868     -6.202280      3.454632
  H     -10.100665     -5.020772      4.811971
  H      -5.566861     -3.160153      4.510997
  H      -1.700757     -5.378852      7.125628
  H      -2.434725     -4.951674      9.440350
  H      -5.828895     -5.800037      5.955779
  N      -4.779683     -2.751554      5.103792
  H      -5.096019     -1.990281      5.702755
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.591250166775
  N      -3.589913     -3.565747      2.171494
  C      -2.655924     -4.057328      1.179176
  C      -2.222473     -5.436640      1.671811
  N      -3.310800     -5.987986      2.511565
  C      -4.441287     -6.437389      1.644311
  C      -5.737112     -6.485033      2.457800
  N      -5.723531     -5.302245      3.293606
  Mo     -4.117764     -4.364730      3.842347
  N      -3.336491     -5.681668      4.991668
  C      -2.289286     -6.614757      4.619600
  C      -2.789801     -7.150426      3.280079
  H      -2.192879     -7.424331      5.350836
  H      -1.316750     -6.110932      4.519752
  H      -3.606169     -7.855198      3.466499
  H      -2.001168     -7.661796      2.718592
  H      -6.598605     -6.490091      1.779405
  H      -5.794001     -7.385448      3.090128
  H      -4.569098     -5.728815      0.819735
  H      -4.208264     -7.419932      1.219460
  H      -1.781882     -3.404009      1.072003
  H      -3.152652     -4.099141      0.198591
  H      -1.325456     -5.346944      2.294056
  H      -2.009368     -6.107822      0.831640
  C      -4.030981     -2.248203      2.113964
  C      -3.163641     -1.150480      1.911815
  C      -3.619695      0.147397      2.004217
  C      -4.931924      0.386652      2.378526
  F      -5.339156      1.654317      2.538825
  C      -5.835610     -0.658349      2.561753
  C      -7.198661     -0.455133      3.111116
  O      -8.086897     -1.268250      2.963348
  C      -7.412798      0.794978      3.995369
  O      -8.346556      1.537830      3.800923
  C      -6.399031      1.050492      5.090486
  O      -5.395845      0.390914      5.328559
  Cl     -6.695320      2.550838      5.902929
  C      -5.395196     -1.975621      2.328871
  C      -6.851785     -4.817268      3.912919
  C      -8.151906     -5.339553      3.972474
  C      -9.104817     -4.685259      4.741072
  C      -8.792576     -3.541890      5.467099
  F      -9.730492     -2.987616      6.249608
  C      -7.508156     -2.980967      5.437723
  C      -7.096487     -1.742095      6.157387
  O      -7.814383     -0.731175      6.178487
  C      -5.714151     -1.714786      6.690490
  O      -4.833722     -2.639397      6.443856
  C      -5.334575     -0.568431      7.538824
  O      -6.015097      0.238442      8.094817
  Cl     -3.583086     -0.515025      7.731660
  C      -6.594670     -3.639430      4.623357
  C      -3.700816     -5.534525      6.325859
  C      -2.739348     -5.354588      7.343455
  C      -3.124423     -5.121956      8.648371
  C      -4.473756     -5.053162      8.963211
  F      -4.830622     -4.785033     10.229723
  C      -5.457213     -5.284247      7.998734
  C      -6.902826     -5.205045      8.275490
  O      -7.755935     -5.446014      7.445578
  C      -7.322213     -4.665099      9.652597
  O      -7.747576     -5.312763     10.567337
  C      -7.194984     -3.132666      9.658753
  O      -6.327726     -2.534882      9.076426
  Cl     -8.473559     -2.344166     10.508194
  C      -5.053187     -5.557210      6.682384
  H      -2.120802     -1.316268      1.671594
  H      -2.960703      0.987828      1.830776
  H      -6.150499     -2.756188      2.278661
  H      -8.423966     -6.242697      3.443052
  H     -10.114016     -5.069225      4.807573
  H      -5.574420     -3.180070      4.505460
  H      -1.683564     -5.397492      7.105040
  H      -2.392628     -4.971355      9.430933
  H      -5.828227     -5.834216      5.974610
  N      -4.774698     -2.759209      5.107723
  H      -5.115279     -1.962135      5.717543
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.656818224050
  N      -3.578414     -3.571357      2.144824
  C      -2.641612     -4.073166      1.156687
  C      -2.215639     -5.451793      1.653894
  N      -3.309267     -6.000390      2.494790
  C      -4.442561     -6.450161      1.625815
  C      -5.738184     -6.491584      2.437761
  N      -5.729898     -5.304735      3.273204
  Mo     -4.115886     -4.366111      3.823950
  N      -3.335618     -5.685076      4.982022
  C      -2.289284     -6.621457      4.606932
  C      -2.790722     -7.162310      3.269897
  H      -2.194003     -7.429473      5.342172
  H      -1.314922     -6.119842      4.504220
  H      -3.609176     -7.865473      3.458259
  H      -2.001819     -7.677828      2.708792
  H      -6.599742     -6.496487      1.756856
  H      -5.796811     -7.392468      3.071736
  H      -4.565918     -5.742232      0.799178
  H      -4.211016     -7.436080      1.202626
  H      -1.762941     -3.423156      1.050103
  H      -3.136187     -4.116186      0.173748
  H      -1.319659     -5.363499      2.279459
  H      -2.001843     -6.127986      0.815597
  C      -4.019284     -2.250325      2.088794
  C      -3.143529     -1.155478      1.891459
  C      -3.594721      0.145293      1.990204
  C      -4.910933      0.383807      2.367296
  F      -5.313561      1.652726      2.536390
  C      -5.820735     -0.659136      2.542843
  C      -7.185603     -0.464260      3.097107
  O      -8.075986     -1.278122      2.937188
  C      -7.406209      0.761216      4.016835
  O      -8.347314      1.500331      3.845191
  C      -6.381942      0.984123      5.121700
  O      -5.384418      0.314386      5.317266
  Cl     -6.675972      2.447794      6.010068
  C      -5.383489     -1.975528      2.302049
  C      -6.861825     -4.817010      3.890451
  C      -8.163623     -5.339362      3.948892
  C      -9.117967     -4.680151      4.717485
  C      -8.804066     -3.534442      5.446769
  F      -9.743468     -2.982685      6.226610
  C      -7.519574     -2.968915      5.424746
  C      -7.125691     -1.718546      6.166807
  O      -7.868569     -0.726868      6.176474
  C      -5.755669     -1.655273      6.733271
  O      -4.821584     -2.613376      6.493614
  C      -5.396551     -0.514951      7.589885
  O      -6.102099      0.278013      8.139433
  Cl     -3.633145     -0.439792      7.817057
  C      -6.612585     -3.637741      4.600726
  C      -3.701045     -5.532317      6.320757
  C      -2.731858     -5.345146      7.333655
  C      -3.103730     -5.106745      8.642632
  C      -4.451439     -5.038779      8.968599
  F      -4.792679     -4.765571     10.239513
  C      -5.445507     -5.274337      8.014557
  C      -6.891100     -5.193126      8.309756
  O      -7.755159     -5.440756      7.486067
  C      -7.319760     -4.650283      9.688506
  O      -7.744540     -5.313799     10.597876
  C      -7.210636     -3.110782      9.719814
  O      -6.342252     -2.496868      9.152914
  Cl     -8.504854     -2.347504     10.583713
  C      -5.053090     -5.554015      6.690641
  H      -2.097880     -1.327029      1.653516
  H      -2.930389      0.987142      1.822660
  H      -6.139367     -2.756490      2.250126
  H      -8.436349     -6.246445      3.418907
  H     -10.130940     -5.064027      4.783487
  H      -5.579956     -3.168197      4.483728
  H      -1.675188     -5.388328      7.085210
  H      -2.362099     -4.951653      9.419737
  H      -5.834669     -5.834255      5.989310
  N      -4.761567     -2.732448      5.100603
  H      -5.123581     -1.892981      5.718296
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.702589414330
  N      -3.563023     -3.579918      2.132666
  C      -2.626909     -4.090859      1.145970
  C      -2.213795     -5.473338      1.638725
  N      -3.312953     -6.020623      2.478633
  C      -4.451918     -6.462082      1.608057
  C      -5.745181     -6.497768      2.420337
  N      -5.737948     -5.312302      3.261506
  Mo     -4.111327     -4.379114      3.816966
  N      -3.333788     -5.709156      4.975957
  C      -2.292749     -6.649630      4.589943
  C      -2.799154     -7.187059      3.254021
  H      -2.199669     -7.459792      5.324776
  H      -1.315385     -6.152982      4.485209
  H      -3.621695     -7.886550      3.441883
  H      -2.013143     -7.706138      2.689293
  H      -6.608067     -6.496281      1.739074
  H      -5.806942     -7.402223      3.050720
  H      -4.569129     -5.749497      0.783863
  H      -4.225753     -7.449161      1.180821
  H      -1.741299     -3.447429      1.043045
  H      -3.120391     -4.126991      0.161225
  H      -1.318353     -5.393738      2.267475
  H      -2.002641     -6.150571      0.798924
  C      -3.997320     -2.251808      2.084465
  C      -3.105567     -1.166062      1.896818
  C      -3.543164      0.141215      1.995347
  C      -4.865561      0.392042      2.359652
  F      -5.256524      1.665965      2.520668
  C      -5.790248     -0.639255      2.529904
  C      -7.168994     -0.429718      3.058109
  O      -8.054709     -1.246399      2.877642
  C      -7.458116      0.815383      3.944496
  O      -8.407501      1.518946      3.693760
  C      -6.510284      1.115516      5.110245
  O      -5.513507      0.487229      5.397527
  Cl     -6.916536      2.602085      5.924293
  C      -5.360748     -1.960557      2.294237
  C      -6.870693     -4.823627      3.881356
  C      -8.174947     -5.344256      3.937981
  C      -9.124210     -4.681383      4.712924
  C      -8.800118     -3.539000      5.450440
  F      -9.736524     -2.989729      6.233057
  C      -7.513117     -2.975604      5.432541
  C      -7.123697     -1.724235      6.195240
  O      -7.883394     -0.746909      6.199504
  C      -5.770198     -1.630272      6.783069
  O      -4.789759     -2.611663      6.556394
  C      -5.421420     -0.499068      7.638164
  O      -6.145161      0.282111      8.181839
  Cl     -3.645716     -0.407247      7.891753
  C      -6.624248     -3.648298      4.596885
  C      -3.697364     -5.556622      6.320265
  C      -2.717744     -5.370179      7.325641
  C      -3.074446     -5.130566      8.639493
  C      -4.420804     -5.059506      8.976240
  F      -4.747503     -4.785035     10.251475
  C      -5.425179     -5.291041      8.031906
  C      -6.867765     -5.201049      8.344120
  O      -7.743804     -5.447784      7.529061
  C      -7.301484     -4.657186      9.723608
  O      -7.727821     -5.335450     10.623542
  C      -7.200941     -3.113695      9.782511
  O      -6.328621     -2.491315      9.232798
  Cl     -8.503395     -2.369209     10.664936
  C      -5.046536     -5.573478      6.702674
  H      -2.058767     -1.351269      1.664214
  H      -2.867190      0.977859      1.833163
  H      -6.122739     -2.735898      2.235491
  H      -8.452241     -6.250700      3.403777
  H     -10.141455     -5.060584      4.780238
  H      -5.577071     -3.167079      4.482343
  H      -1.661746     -5.415894      7.064824
  H      -2.322992     -4.977046      9.410733
  H      -5.835624     -5.849437      6.006329
  N      -4.733419     -2.718905      5.115906
  H      -5.111027     -1.848993      5.731025
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.732331939746
  N      -3.565583     -3.583883      2.108163
  C      -2.625943     -4.100420      1.126877
  C      -2.213634     -5.479744      1.624735
  N      -3.313498     -6.030699      2.465452
  C      -4.451852     -6.480185      1.595420
  C      -5.742668     -6.518148      2.407433
  N      -5.748982     -5.329421      3.245793
  Mo     -4.120656     -4.381010      3.801996
  N      -3.334530     -5.706329      4.971255
  C      -2.289523     -6.642744      4.581356
  C      -2.794176     -7.190662      3.249777
  H      -2.191428     -7.448997      5.321064
  H      -1.314082     -6.142296      4.472608
  H      -3.614232     -7.892865      3.440848
  H      -2.005816     -7.709295      2.685947
  H      -6.606220     -6.523485      1.725512
  H      -5.799257     -7.422375      3.039907
  H      -4.568607     -5.769297      0.769164
  H      -4.220939     -7.468416      1.170825
  H      -1.739329     -3.456519      1.024762
  H      -3.116906     -4.139566      0.140260
  H      -1.320531     -5.396487      2.257212
  H      -1.997752     -6.161492      0.788683
  C      -4.003586     -2.254933      2.061567
  C      -3.105636     -1.171639      1.873546
  C      -3.532059      0.137755      1.977513
  C      -4.849503      0.389141      2.358089
  F      -5.231913      1.663039      2.538000
  C      -5.776457     -0.637008      2.536891
  C      -7.132846     -0.410794      3.106907
  O      -8.036587     -1.214944      2.960212
  C      -7.372821      0.835466      4.011825
  O      -8.331764      1.537346      3.800824
  C      -6.363804      1.141481      5.137941
  O      -5.351353      0.519593      5.366710
  Cl     -6.743411      2.626583      5.978827
  C      -5.363483     -1.961935      2.284334
  C      -6.888147     -4.849749      3.862393
  C      -8.187942     -5.384910      3.918557
  C      -9.141339     -4.726580      4.692989
  C      -8.823039     -3.579819      5.429985
  F      -9.765602     -3.039061      6.209357
  C      -7.540365     -3.003053      5.412616
  C      -7.178819     -1.744792      6.184196
  O      -7.976921     -0.799384      6.176063
  C      -5.844434     -1.597535      6.790720
  O      -4.802918     -2.580984      6.591940
  C      -5.531958     -0.461091      7.637995
  O      -6.286355      0.300060      8.168077
  Cl     -3.748667     -0.315127      7.917119
  C      -6.658801     -3.671290      4.575191
  C      -3.698910     -5.549625      6.319559
  C      -2.712034     -5.347747      7.316238
  C      -3.058266     -5.102959      8.632481
  C      -4.404329     -5.040884      8.977375
  F      -4.722566     -4.761550     10.254048
  C      -5.414490     -5.283854      8.042446
  C      -6.854473     -5.198092      8.367667
  O      -7.737766     -5.457632      7.562750
  C      -7.299544     -4.651217      9.743696
  O      -7.720752     -5.342656     10.636593
  C      -7.222273     -3.104309      9.820017
  O      -6.352076     -2.469503      9.284931
  Cl     -8.538818     -2.386359     10.716161
  C      -5.044584     -5.572609      6.711737
  H      -2.059793     -1.364759      1.636605
  H      -2.851576      0.972644      1.814932
  H      -6.128526     -2.736109      2.238391
  H      -8.456854     -6.297134      3.386362
  H     -10.157340     -5.113202      4.762781
  H      -5.602780     -3.164150      4.462906
  H      -1.656853     -5.386622      7.044603
  H      -2.300614     -4.938874      9.397592
  H      -5.836871     -5.855880      6.020644
  N      -4.741639     -2.686487      5.111602
  H      -5.150471     -1.789792      5.706160
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.748250177520
  N      -3.546976     -3.584495      2.103508
  C      -2.610585     -4.111120      1.124222
  C      -2.215657     -5.496254      1.615614
  N      -3.322208     -6.043088      2.452911
  C      -4.466908     -6.477962      1.581649
  C      -5.755771     -6.506582      2.394090
  N      -5.757687     -5.321719      3.238568
  Mo     -4.114452     -4.385820      3.800148
  N      -3.336791     -5.723621      4.969961
  C      -2.301497     -6.667120      4.568027
  C      -2.812438     -7.208650      3.237418
  H      -2.208285     -7.475888      5.306504
  H      -1.321537     -6.175311      4.458001
  H      -3.639312     -7.903631      3.426985
  H      -2.029434     -7.733180      2.670321
  H      -6.620600     -6.501588      1.712717
  H      -5.819458     -7.414424      3.021564
  H      -4.573611     -5.760486      0.759343
  H      -4.245305     -7.466710      1.151738
  H      -1.715934     -3.476575      1.026506
  H      -3.100114     -4.140784      0.136064
  H      -1.323664     -5.426070      2.251823
  H      -2.004170     -6.178307      0.778002
  C      -3.974934     -2.249366      2.064341
  C      -3.061267     -1.176167      1.892273
  C      -3.480052      0.137077      1.997410
  C      -4.807389      0.397115      2.349904
  F      -5.185514      1.674780      2.512430
  C      -5.748656     -0.620287      2.506950
  C      -7.133235     -0.394535      3.011607
  O      -8.024806     -1.200533      2.812609
  C      -7.457868      0.857860      3.883350
  O      -8.407320      1.540273      3.588387
  C      -6.547695      1.183398      5.090219
  O      -5.566520      0.556917      5.405581
  Cl     -7.019041      2.662533      5.903009
  C      -5.334155     -1.945203      2.270641
  C      -6.895112     -4.837942      3.859154
  C      -8.199211     -5.364429      3.913500
  C      -9.141721     -4.698018      4.696710
  C      -8.807291     -3.559093      5.443280
  F      -9.745002     -3.017849      6.226921
  C      -7.517594     -2.991973      5.427630
  C      -7.150100     -1.740497      6.217979
  O      -7.957412     -0.802171      6.213401
  C      -5.829971     -1.582490      6.838053
  O      -4.753607     -2.580794      6.651446
  C      -5.519044     -0.462014      7.698998
  O      -6.279768      0.291501      8.232035
  Cl     -3.726437     -0.320697      8.008044
  C      -6.660246     -3.664627      4.578582
  C      -3.696649     -5.569041      6.323350
  C      -2.698585     -5.372374      7.310669
  C      -3.030195     -5.129322      8.631485
  C      -4.374492     -5.062894      8.987246
  F      -4.679765     -4.786721     10.267791
  C      -5.394465     -5.296402      8.060929
  C      -6.830468     -5.201565      8.400218
  O      -7.723378     -5.456708      7.604126
  C      -7.279661     -4.662133      9.778559
  O      -7.702124     -5.371042     10.657247
  C      -7.208805     -3.115422      9.887186
  O      -6.334817     -2.472709      9.372387
  Cl     -8.529152     -2.419649     10.805746
  C      -5.038091     -5.583811      6.726602
  H      -2.013599     -1.380370      1.669159
  H      -2.790732      0.968375      1.848212
  H      -6.101414     -2.716540      2.207502
  H      -8.478113     -6.272470      3.377254
  H     -10.162754     -5.073464      4.769064
  H      -5.591109     -3.148547      4.470470
  H      -1.645861     -5.415381      7.026566
  H      -2.264030     -4.970832      9.390516
  H      -5.837685     -5.858303      6.039399
  N      -4.698047     -2.661437      5.136014
  H      -5.113520     -1.742485      5.715883
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca E -7995.773845057355
  N      -3.541534     -3.587189      2.093947
  C      -2.606588     -4.120807      1.117990
  C      -2.219478     -5.507054      1.608574
  N      -3.328918     -6.053351      2.442875
  C      -4.474345     -6.484621      1.571120
  C      -5.760987     -6.510922      2.382633
  N      -5.766439     -5.327286      3.227505
  Mo     -4.118629     -4.388624      3.793645
  N      -3.341471     -5.726995      4.969446
  C      -2.309506     -6.671913      4.561074
  C      -2.821724     -7.216369      3.233875
  H      -2.215834     -7.478957      5.301736
  H      -1.328498     -6.182604      4.448873
  H      -3.651159     -7.908182      3.424110
  H      -2.040504     -7.744278      2.667166
  H      -6.626448     -6.505173      1.701580
  H      -5.826112     -7.419899      3.008579
  H      -4.574857     -5.764144      0.750440
  H      -4.254289     -7.473173      1.139789
  H      -1.708132     -3.490850      1.022772
  H      -3.094142     -4.146692      0.128529
  H      -1.329851     -5.441580      2.248763
  H      -2.006818     -6.191150      0.772845
  C      -3.963267     -2.248360      2.058891
  C      -3.039019     -1.183774      1.891338
  C      -3.451234      0.132756      2.001485
  C      -4.779063      0.400049      2.357873
  F      -5.147403      1.679795      2.528128
  C      -5.726961     -0.611199      2.518887
  C      -7.110394     -0.392108      3.035265
  O      -7.992564     -1.210627      2.847785
  C      -7.465582      0.859620      3.898845
  O      -8.441040      1.504300      3.606417
  C      -6.550272      1.231753      5.089868
  O      -5.539248      0.646291      5.381758
  Cl     -7.072080      2.694827      5.904782
  C      -5.318062     -1.934412      2.274697
  C      -6.906184     -4.848478      3.847791
  C      -8.209072     -5.378748      3.900236
  C      -9.148839     -4.711217      4.687277
  C      -8.812031     -3.574093      5.437582
  F      -9.752762     -3.035872      6.218865
  C      -7.520259     -3.005166      5.420981
  C      -7.158087     -1.754138      6.213005
  O      -7.981228     -0.828277      6.208067
  C      -5.852383     -1.571142      6.836780
  O      -4.736812     -2.564474      6.679808
  C      -5.559455     -0.442137      7.694163
  O      -6.340968      0.305752      8.208904
  Cl     -3.762942     -0.264639      8.024110
  C      -6.674994     -3.674878      4.567986
  C      -3.697894     -5.572848      6.325787
  C      -2.691677     -5.370836      7.303499
  C      -3.014912     -5.127464      8.626656
  C      -4.358702     -5.063681      8.989339
  F      -4.657740     -4.787987     10.271133
  C      -5.384165     -5.297066      8.069344
  C      -6.817280     -5.199254      8.415073
  O      -7.715435     -5.460533      7.626502
  C      -7.272838     -4.660814      9.790412
  O      -7.693262     -5.379762     10.661926
  C      -7.212520     -3.114854      9.912260
  O      -6.337842     -2.466794      9.408415
  Cl     -8.534570     -2.435782     10.847936
  C      -5.035532     -5.586311      6.735200
  H      -1.993021     -1.397083      1.668592
  H      -2.757252      0.960832      1.855495
  H      -6.087704     -2.704291      2.219133
  H      -8.487597     -6.286990      3.364113
  H     -10.170492     -5.084924      4.761780
  H      -5.599335     -3.139714      4.464793
  H      -1.641369     -5.410815      7.009660
  H      -2.244450     -4.966683      9.380855
  H      -5.838476     -5.857814      6.050187
  N      -4.678087     -2.628831      5.142983
  H      -5.110252     -1.697151      5.683196
