105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658524-ybXo/orca E -7184.658703079915
  N      -2.970161     -3.716901      2.299306
  C      -2.543984     -4.803687      1.425481
  C      -2.254791     -6.071003      2.227087
  N      -3.382312     -6.402248      3.100003
  C      -4.510762     -7.009947      2.396755
  C      -5.848975     -6.772472      3.148599
  N      -5.913406     -5.491839      3.845796
  Mo     -4.130175     -4.545763      3.866857
  N      -2.949069     -5.014569      5.375636
  C      -2.277310     -6.309173      5.318872
  C      -2.932791     -7.205197      4.245426
  H      -2.345075     -6.833442      6.281672
  H      -1.208729     -6.179941      5.095045
  H      -3.825979     -7.674078      4.671048
  H      -2.239545     -7.997811      3.940173
  H      -6.665596     -6.852304      2.402541
  H      -6.009892     -7.604548      3.858351
  H      -4.588037     -6.533917      1.413868
  H      -4.372569     -8.086777      2.238955
  H      -1.636353     -4.534427      0.869939
  H      -3.329656     -5.015910      0.673908
  H      -1.405542     -5.851163      2.876266
  H      -1.999153     -6.896496      1.553179
  C      -3.866879     -1.014554     -0.275229
  C      -3.369251     -2.377627      0.191548
  C      -3.832788     -2.759215      1.621179
  C      -5.237750     -3.384932      1.754078
  N      -6.281372     -2.562450      2.307301
  C      -6.627337     -1.304808      1.709714
  C      -7.351806     -1.217432      0.515956
  C      -7.732122      0.011172     -0.001316
  C      -7.410159      1.181342      0.657644
  C      -6.696629      1.116540      1.853065
  S      -6.252993      2.550830      2.756138
  C      -6.301359     -0.118150      2.372482
  C      -9.303732     -5.838955      5.756322
  C      -8.103939     -6.303040      4.930284
  C      -7.103321     -5.183816      4.663559
  C      -7.629610     -3.870779      4.172709
  N      -7.415803     -2.939748      5.285525
  C      -7.602941     -1.564275      5.241982
  C      -8.536277     -0.925080      4.410649
  C      -8.811769      0.425232      4.546236
  C      -8.157344      1.195056      5.486243
  C      -7.192245      0.596773      6.297164
  S      -6.284893      1.506757      7.489745
  C      -6.915602     -0.760852      6.169186
  C      -1.269135     -5.354239      8.442045
  C      -1.408985     -4.308800      7.335835
  C      -2.756717     -4.194896      6.560923
  C      -3.984552     -4.345333      7.516721
  N      -5.233030     -4.499513      6.754143
  C      -6.028304     -5.573254      7.308624
  C      -5.692831     -6.914187      7.111127
  C      -6.359918     -7.914488      7.809032
  C      -7.362058     -7.605565      8.705828
  C      -7.731378     -6.271448      8.900080
  S      -8.988290     -5.784155      9.998837
  C      -7.059694     -5.270049      8.192114
  H      -3.470850     -0.798756     -1.262073
  H      -3.542889     -0.235077      0.413061
  H      -4.954903     -0.996556     -0.320630
  H      -2.277566     -2.367168      0.195361
  H      -3.698291     -3.141185     -0.517823
  H      -3.778153     -1.812525      2.197737
  H      -5.577851     -3.855555      0.791437
  H      -5.003819     -4.193489      2.489458
  H      -5.862654     -2.305945      3.193095
  H      -7.603199     -2.144379      0.014680
  H      -8.283219      0.048482     -0.927581
  H      -7.708398      2.134098      0.248604
  H      -6.763102      3.454718      1.912821
  H      -5.726852     -0.136365      3.307347
  H      -9.923133     -6.684916      6.031900
  H      -9.911658     -5.137757      5.188433
  H      -8.966682     -5.328647      6.657265
  H      -8.486590     -6.721469      3.989331
  H      -7.607798     -7.121187      5.464031
  H      -6.624238     -4.856555      5.570694
  H      -8.642179     -3.822994      3.716604
  H      -6.802775     -3.644815      3.505013
  H      -6.491596     -3.290242      5.442333
  H      -9.055867     -1.526490      3.668765
  H      -9.556685      0.873943      3.909150
  H      -8.392701      2.241241      5.593585
  H      -6.950321      2.660776      7.388358
  H      -6.179682     -1.232966      6.831533
  H      -1.476652     -6.361363      8.094545
  H      -1.924162     -5.125237      9.277529
  H      -0.244331     -5.323743      8.800702
  H      -1.238623     -3.327138      7.782129
  H      -0.630413     -4.454021      6.583833
  H      -2.782251     -3.140908      6.192758
  H      -3.830768     -5.216818      8.161277
  H      -4.047416     -3.458970      8.169253
  H      -4.756372     -4.823654      5.876729
  H      -4.881639     -7.151654      6.428195
  H      -6.073534     -8.944148      7.663437
  H      -7.847192     -8.391766      9.263341
  H      -9.244604     -6.988894     10.522958
  H      -7.305478     -4.220544      8.343146
  N      -5.022436     -3.071565      5.118860
  N      -5.545867     -2.206749      5.853330
  H      -6.552554     -2.042496      5.840180
  H      -4.981252     -1.640610      6.486785
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658524-ybXo/orca E -7184.761122001100
  N      -2.972283     -3.716373      2.316171
  C      -2.563539     -4.805662      1.430473
  C      -2.278293     -6.078653      2.224327
  N      -3.403478     -6.406474      3.109475
  C      -4.545430     -7.005596      2.413893
  C      -5.875513     -6.766944      3.175498
  N      -5.930562     -5.486974      3.877341
  Mo     -4.126171     -4.543403      3.890916
  N      -2.934439     -5.034208      5.392326
  C      -2.275618     -6.336523      5.319538
  C      -2.949740     -7.219417      4.249449
  H      -2.339908     -6.868316      6.279729
  H      -1.206173     -6.216148      5.086861
  H      -3.843767     -7.682840      4.681762
  H      -2.266159     -8.017882      3.932059
  H      -6.694830     -6.841570      2.431930
  H      -6.037351     -7.601530      3.883450
  H      -4.626821     -6.525275      1.432662
  H      -4.413176     -8.084354      2.251431
  H      -1.655682     -4.544000      0.867730
  H      -3.356499     -5.008021      0.683008
  H      -1.419914     -5.868909      2.868003
  H      -2.035197     -6.905606      1.544400
  C      -3.837377     -0.992665     -0.248671
  C      -3.358990     -2.365208      0.215620
  C      -3.825718     -2.743813      1.644441
  C      -5.241202     -3.348021      1.775840
  N      -6.277249     -2.502856      2.323469
  C      -6.606299     -1.246719      1.719254
  C      -7.313320     -1.172611      0.512325
  C      -7.684134      0.052644     -0.023828
  C      -7.370667      1.232734      0.629673
  C      -6.676420      1.179103      1.839779
  S      -6.246760      2.623799      2.738562
  C      -6.290926     -0.052369      2.377996
  C      -9.339255     -5.854372      5.800763
  C      -8.134818     -6.309089      4.969467
  C      -7.136585     -5.187093      4.699766
  C      -7.679000     -3.867655      4.195281
  N      -7.466727     -2.909779      5.289268
  C      -7.658675     -1.519900      5.205530
  C      -8.596894     -0.916434      4.348005
  C      -8.895105      0.433741      4.419529
  C      -8.266895      1.259292      5.328758
  C      -7.302303      0.712923      6.173989
  S      -6.424560      1.692302      7.337273
  C      -6.989266     -0.645187      6.115073
  C      -1.202576     -5.448205      8.419152
  C      -1.353661     -4.376061      7.338582
  C      -2.713216     -4.236133      6.592619
  C      -3.921280     -4.407086      7.573846
  N      -5.186281     -4.546103      6.832483
  C      -5.971555     -5.633380      7.363398
  C      -5.643840     -6.971581      7.121097
  C      -6.313970     -7.989516      7.793378
  C      -7.313846     -7.698965      8.705067
  C      -7.671378     -6.365680      8.938136
  S      -8.927695     -5.890760     10.045151
  C      -6.994515     -5.348825      8.261264
  H      -3.438257     -0.778751     -1.238298
  H      -3.501067     -0.217113      0.441956
  H      -4.926803     -0.956302     -0.294130
  H      -2.265173     -2.371155      0.218502
  H      -3.699950     -3.123914     -0.496623
  H      -3.758623     -1.801560      2.225162
  H      -5.591488     -3.809816      0.817714
  H      -5.016593     -4.170232      2.504538
  H      -5.866258     -2.244373      3.218624
  H      -7.558621     -2.105395      0.014290
  H      -8.221850      0.081356     -0.961818
  H      -7.662063      2.184202      0.205344
  H      -6.742781      3.519548      1.874128
  H      -5.737977     -0.061791      3.323674
  H      -9.953922     -6.708663      6.073929
  H      -9.955060     -5.153766      5.235469
  H      -9.008672     -5.344817      6.711034
  H      -8.513591     -6.728187      4.025924
  H      -7.635382     -7.125965      5.503711
  H      -6.661118     -4.863306      5.610268
  H      -8.687701     -3.831805      3.736757
  H      -6.859884     -3.648203      3.526480
  H      -6.541854     -3.264141      5.454110
  H      -9.104975     -1.553094      3.626836
  H      -9.643776      0.840216      3.753800
  H      -8.522888      2.307702      5.386634
  H      -7.114368      2.828087      7.174737
  H      -6.257745     -1.037033      6.816100
  H      -1.424825     -6.448474      8.052415
  H      -1.842493     -5.234155      9.273638
  H      -0.169010     -5.435558      8.762900
  H      -1.167307     -3.403865      7.803611
  H      -0.587802     -4.510179      6.568658
  H      -2.736119     -3.177935      6.247464
  H      -3.750563     -5.296784      8.191360
  H      -3.970737     -3.538823      8.252633
  H      -4.732016     -4.838794      5.928923
  H      -4.838760     -7.193517      6.424402
  H      -6.035634     -9.019555      7.614584
  H      -7.806849     -8.499015      9.241293
  H      -9.199043     -7.108414     10.537196
  H      -7.235366     -4.301882      8.442707
  N      -4.977629     -3.046007      5.125927
  N      -5.485312     -2.146969      5.852242
  H      -6.569792     -1.976124      5.830120
  H      -4.900672     -1.575083      6.471019
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658524-ybXo/orca E -7184.830829678660
  N      -2.984534     -3.703356      2.338695
  C      -2.588097     -4.792852      1.438835
  C      -2.304890     -6.071208      2.222316
  N      -3.429268     -6.401849      3.117948
  C      -4.583228     -6.997094      2.427589
  C      -5.904388     -6.765610      3.200804
  N      -5.950021     -5.486609      3.907298
  Mo     -4.132868     -4.533955      3.916506
  N      -2.931178     -5.047166      5.411582
  C      -2.281884     -6.356110      5.320919
  C      -2.970489     -7.225639      4.252829
  H      -2.342668     -6.897897      6.277325
  H      -1.211181     -6.241571      5.081099
  H      -3.864895     -7.687183      4.689356
  H      -2.294181     -8.027748      3.921970
  H      -6.727356     -6.838054      2.460974
  H      -6.062643     -7.604682      3.906174
  H      -4.669485     -6.511637      1.448247
  H      -4.451180     -8.077405      2.259077
  H      -1.678794     -4.535892      0.871310
  H      -3.385026     -4.987126      0.692465
  H      -1.439308     -5.870836      2.863365
  H      -2.070116     -6.898464      1.535829
  C      -3.805911     -0.954264     -0.218602
  C      -3.350322     -2.336688      0.245568
  C      -3.827939     -2.714637      1.670234
  C      -5.256265     -3.297112      1.791761
  N      -6.287363     -2.428109      2.328576
  C      -6.588583     -1.180316      1.704455
  C      -7.264439     -1.132738      0.476099
  C      -7.615629      0.084027     -0.096236
  C      -7.314054      1.281110      0.541625
  C      -6.653182      1.250439      1.774289
  S      -6.242055      2.715245      2.657412
  C      -6.288171      0.027338      2.348966
  C      -9.354681     -5.868922      5.862416
  C      -8.155154     -6.318600      5.017416
  C      -7.163750     -5.194303      4.737698
  C      -7.729813     -3.869432      4.222221
  N      -7.502471     -2.892289      5.305150
  C      -7.700201     -1.494313      5.189423
  C      -8.653807     -0.926097      4.322084
  C      -8.973389      0.420768      4.339253
  C      -8.358831      1.296291      5.211746
  C      -7.383590      0.796358      6.073490
  S      -6.516754      1.835788      7.198697
  C      -7.034952     -0.557649      6.073136
  C      -1.142223     -5.536395      8.390842
  C      -1.312224     -4.435893      7.339638
  C      -2.685327     -4.271852      6.628485
  C      -3.869965     -4.468420      7.637488
  N      -5.152406     -4.595324      6.919356
  C      -5.924962     -5.695544      7.426361
  C      -5.605007     -7.029857      7.139192
  C      -6.279147     -8.065381      7.783950
  C      -7.278742     -7.795337      8.709607
  C      -7.625285     -6.464576      8.982919
  S      -8.886023     -6.005205     10.099006
  C      -6.941786     -5.430748      8.338777
  H      -3.397155     -0.740808     -1.208974
  H      -3.461449     -0.182509      0.477116
  H      -4.896303     -0.897466     -0.271770
  H      -2.254111     -2.359253      0.254111
  H      -3.698454     -3.090163     -0.472860
  H      -3.753290     -1.779085      2.258322
  H      -5.613153     -3.748441      0.837958
  H      -5.045474     -4.136030      2.509291
  H      -5.893337     -2.166174      3.236654
  H      -7.501196     -2.075988     -0.011705
  H      -8.129408      0.095303     -1.052241
  H      -7.590549      2.227539      0.088106
  H      -6.710876      3.593376      1.754678
  H      -5.768999      0.034103      3.311072
  H      -9.964420     -6.730103      6.140873
  H      -9.982813     -5.168137      5.304470
  H      -9.020565     -5.360320      6.777259
  H      -8.536695     -6.739791      4.074330
  H      -7.647936     -7.133800      5.549149
  H      -6.684815     -4.873583      5.652583
  H      -8.738258     -3.847139      3.772836
  H      -6.929039     -3.648604      3.537034
  H      -6.566127     -3.246676      5.469253
  H      -9.159293     -1.594554      3.626967
  H      -9.734075      0.786976      3.657694
  H      -8.633044      2.345085      5.228756
  H      -7.233062      2.952134      6.990260
  H      -6.295186     -0.877965      6.795260
  H      -1.377552     -6.530092      8.004375
  H      -1.764133     -5.343118      9.267584
  H      -0.098475     -5.539697      8.716085
  H      -1.110465     -3.473726      7.824592
  H      -0.560808     -4.554291      6.549330
  H      -2.709400     -3.210897      6.308108
  H      -3.678952     -5.376401      8.225856
  H      -3.904578     -3.619974      8.342580
  H      -4.720379     -4.852299      5.989882
  H      -4.805781     -7.235963      6.429777
  H      -6.008806     -9.095233      7.571126
  H      -7.780702     -8.609798      9.222523
  H      -9.171787     -7.237265     10.555401
  H      -7.179039     -4.387574      8.551323
  N      -4.942955     -3.022284      5.122451
  N      -5.432905     -2.100272      5.845514
  H      -6.560901     -1.929200      5.824828
  H      -4.833087     -1.520873      6.450888
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658524-ybXo/orca E -7184.881898342919
  N      -2.993573     -3.697968      2.357517
  C      -2.608591     -4.787886      1.445837
  C      -2.328487     -6.070390      2.220248
  N      -3.452466     -6.402505      3.124391
  C      -4.616347     -6.994506      2.438485
  C      -5.928557     -6.768669      3.221383
  N      -5.963136     -5.489767      3.929338
  Mo     -4.137660     -4.528230      3.937282
  N      -2.927516     -5.061503      5.426211
  C      -2.288349     -6.376928      5.320683
  C      -2.990330     -7.235025      4.255588
  H      -2.346343     -6.926452      6.273942
  H      -1.216812     -6.268945      5.074427
  H      -3.885464     -7.693970      4.695301
  H      -2.321569     -8.040840      3.913154
  H      -6.754598     -6.839484      2.484746
  H      -6.084751     -7.610699      3.925170
  H      -4.705409     -6.505130      1.460475
  H      -4.483631     -8.075872      2.265272
  H      -1.697728     -4.536210      0.874814
  H      -3.407995     -4.974989      0.699720
  H      -1.457344     -5.879477      2.859685
  H      -2.101261     -6.898539      1.529351
  C      -3.762388     -0.922067     -0.193648
  C      -3.334015     -2.314235      0.271217
  C      -3.825624     -2.692314      1.690359
  C      -5.267953     -3.251894      1.800919
  N      -6.292383     -2.364428      2.334555
  C      -6.577508     -1.122084      1.705261
  C      -7.232324     -1.086213      0.463179
  C      -7.572267      0.128670     -0.122902
  C      -7.281762      1.333111      0.514138
  C      -6.644272      1.309489      1.761409
  S      -6.249759      2.781559      2.648212
  C      -6.290501      0.088693      2.349761
  C      -9.360734     -5.880817      5.906038
  C      -8.165666     -6.327622      5.051707
  C      -7.180943     -5.201308      4.763089
  C      -7.769576     -3.874647      4.234431
  N      -7.525400     -2.883941      5.309114
  C      -7.729573     -1.483125      5.163791
  C      -8.701038     -0.950770      4.291037
  C      -9.045846      0.389517      4.255777
  C      -8.444787      1.311397      5.089596
  C      -7.457231      0.856398      5.962453
  S      -6.601839      1.954219      7.047919
  C      -7.069413     -0.488693      6.017798
  C      -1.084956     -5.605642      8.360152
  C      -1.275242     -4.485110      7.332128
  C      -2.661287     -4.302574      6.654818
  C      -3.822958     -4.516682      7.689469
  N      -5.120348     -4.634822      6.993026
  C      -5.885532     -5.740022      7.484788
  C      -5.577051     -7.072644      7.168650
  C      -6.260807     -8.115962      7.792844
  C      -7.262334     -7.855449      8.724445
  C      -7.595340     -6.525809      9.023779
  S      -8.864703     -6.070413     10.140379
  C      -6.899507     -5.483610      8.404990
  H      -3.340971     -0.710162     -1.182526
  H      -3.410471     -0.155400      0.507671
  H      -4.852054     -0.842137     -0.257845
  H      -2.236422     -2.354804      0.287936
  H      -3.687978     -3.061181     -0.454181
  H      -3.743712     -1.764503      2.287501
  H      -5.631815     -3.691816      0.849842
  H      -5.074515     -4.105899      2.504713
  H      -5.911877     -2.106510      3.252932
  H      -7.461878     -2.032499     -0.025920
  H      -8.069746      0.135366     -1.090651
  H      -7.550364      2.279083      0.049100
  H      -6.701959      3.653515      1.726283
  H      -5.795210      0.097023      3.323441
  H      -9.966233     -6.746995      6.190126
  H      -9.999205     -5.181121      5.353671
  H      -9.024480     -5.372754      6.823311
  H      -8.548234     -6.752445      4.109409
  H      -7.651479     -7.140079      5.582574
  H      -6.700795     -4.882063      5.682816
  H      -8.778562     -3.865820      3.794917
  H      -6.987689     -3.649701      3.527745
  H      -6.579662     -3.236081      5.470766
  H      -9.203962     -1.650211      3.623857
  H      -9.819487      0.713633      3.563021
  H      -8.737645      2.357580      5.069420
  H      -7.346490      3.047336      6.797809
  H      -6.320461     -0.739885      6.755531
  H      -1.332161     -6.594676      7.961994
  H      -1.687709     -5.429021      9.256706
  H      -0.032286     -5.621066      8.665652
  H      -1.058490     -3.530644      7.830109
  H      -0.538720     -4.591718      6.523486
  H      -2.687258     -3.240621      6.351758
  H      -3.616171     -5.437193      8.256196
  H      -3.841161     -3.682495      8.412083
  H      -4.709030     -4.864197      6.045613
  H      -4.781744     -7.272680      6.452590
  H      -6.001074     -9.146670      7.557597
  H      -7.777048     -8.676701      9.218909
  H      -9.168449     -7.311268     10.569810
  H      -7.131031     -4.442421      8.636807
  N      -4.903863     -3.007064      5.102527
  N      -5.375263     -2.065980      5.822590
  H      -6.534583     -1.896293      5.805800
  H      -4.761688     -1.480546      6.412522
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658524-ybXo/orca E -7184.921041031330
  N      -3.007220     -3.691735      2.376941
  C      -2.633079     -4.780502      1.454236
  C      -2.355623     -6.067489      2.218717
  N      -3.478532     -6.401832      3.129186
  C      -4.649860     -6.990675      2.446744
  C      -5.952458     -6.771011      3.239943
  N      -5.975042     -5.492795      3.949045
  Mo     -4.146513     -4.521482      3.957133
  N      -2.929273     -5.074341      5.439029
  C      -2.299764     -6.395048      5.319154
  C      -3.013848     -7.242369      4.256367
  H      -2.355089     -6.951821      6.269070
  H      -1.227910     -6.293115      5.067218
  H      -3.909649     -7.699213      4.698164
  H      -2.352400     -8.051023      3.902921
  H      -6.782524     -6.839934      2.507551
  H      -6.105700     -7.615969      3.941797
  H      -4.741393     -6.497069      1.470441
  H      -4.515276     -8.072251      2.268130
  H      -1.721138     -4.532955      0.880736
  H      -3.434118     -4.960403      0.707803
  H      -1.480074     -5.886439      2.857015
  H      -2.135065     -6.895683      1.523759
  C      -3.722958     -0.888204     -0.163708
  C      -3.320780     -2.289814      0.298084
  C      -3.826631     -2.668831      1.710479
  C      -5.282134     -3.204067      1.807552
  N      -6.297955     -2.299391      2.336641
  C      -6.564597     -1.063008      1.696929
  C      -7.192413     -1.039888      0.439118
  C      -7.516195      0.171566     -0.164452
  C      -7.238024      1.383274      0.468942
  C      -6.630533      1.369130      1.732136
  S      -6.254671      2.850149      2.618893
  C      -6.292905      0.152334      2.338870
  C      -9.357973     -5.891363      5.948853
  C      -8.169943     -6.336056      5.083961
  C      -7.192827     -5.206740      4.786723
  C      -7.804978     -3.881593      4.250936
  N      -7.539469     -2.882337      5.319416
  C      -7.750431     -1.482724      5.149734
  C      -8.742217     -0.984503      4.278913
  C      -9.112141      0.346650      4.197781
  C      -8.521726      1.308084      4.993189
  C      -7.519724      0.893399      5.869059
  S      -6.673124      2.044570      6.913602
  C      -7.092530     -0.438924      5.971313
  C      -1.034892     -5.659056      8.328396
  C      -1.247779     -4.523422      7.320731
  C      -2.646625     -4.328534      6.676509
  C      -3.784538     -4.558729      7.734979
  N      -5.094820     -4.672035      7.060104
  C      -5.852870     -5.781464      7.541730
  C      -5.553007     -7.111766      7.203041
  C      -6.244690     -8.161089      7.809120
  C      -7.248997     -7.909669      8.743259
  C      -7.572297     -6.582500      9.063867
  S      -8.852768     -6.133786     10.178750
  C      -6.865985     -5.532941      8.467440
  H      -3.289737     -0.675786     -1.149687
  H      -3.364184     -0.128631      0.544356
  H      -4.811289     -0.785979     -0.238067
  H      -2.222777     -2.348064      0.322523
  H      -3.679654     -3.028813     -0.434974
  H      -3.738357     -1.749261      2.317802
  H      -5.652329     -3.632085      0.857034
  H      -5.108139     -4.073741      2.497059
  H      -5.933286     -2.046537      3.264444
  H      -7.413747     -1.989198     -0.050016
  H      -7.992285      0.172159     -1.144932
  H      -7.494666      2.327023     -0.010796
  H      -6.683376      3.713216      1.673998
  H      -5.827215      0.163972      3.326149
  H      -9.959207     -6.760945      6.239555
  H     -10.006419     -5.192745      5.403680
  H      -9.017042     -5.384585      6.866269
  H      -8.555664     -6.763961      4.143520
  H      -7.647413     -7.145933      5.611844
  H      -6.710883     -4.889498      5.710121
  H      -8.817464     -3.884923      3.826179
  H      -7.046933     -3.650794      3.517609
  H      -6.585848     -3.229793      5.474663
  H      -9.244847     -1.711494      3.640548
  H      -9.899959      0.630718      3.500544
  H      -8.831855      2.349633      4.942558
  H      -7.445894      3.112980      6.630647
  H      -6.331917     -0.629434      6.716184
  H      -1.291169     -6.644585      7.922775
  H      -1.618308     -5.498010      9.242587
  H       0.025371     -5.682081      8.613503
  H      -1.018270     -3.575318      7.828153
  H      -0.526332     -4.618446      6.495406
  H      -2.677081     -3.265727      6.386859
  H      -3.562893     -5.488311      8.283686
  H      -3.787328     -3.735842      8.470501
  H      -4.703053     -4.876227      6.099938
  H      -4.760164     -7.306910      6.482519
  H      -5.993102     -9.191451      7.555785
  H      -7.774386     -8.736288      9.220732
  H      -9.169807     -7.382340     10.582939
  H      -7.094344     -4.494064      8.714107
  N      -4.868404     -2.997343      5.077186
  N      -5.321267     -2.041935      5.796781
  H      -6.496080     -1.875340      5.789498
  H      -4.695166     -1.452463      6.369951
