104
Coordinates from ORCA-job /scratch/magstr/orcajob__5658523-3391/orca
  N   -3.05958441850284     -3.69128888408299      2.41260632394349
  C   -2.58984771979585     -4.74163603773758      1.48870814286599
  C   -2.32641164312487     -6.02369696276933      2.24026922520342
  N   -3.50639169089375     -6.36746365648935      3.08252811567803
  C   -4.62300127743448     -6.94697124094965      2.30994328958330
  C   -5.92746588532613     -6.78124835996570      3.07884603639290
  N   -5.97565918597318     -5.53469217416002      3.85762333039278
  Mo  -4.23587912237375     -4.46235546136102      3.93395540537960
  N   -3.03400916479940     -5.02592153205162      5.41301237608997
  C   -2.42238942893952     -6.35801855445379      5.30275070808824
  C   -3.10095624564542     -7.20830745100253      4.23982638277872
  H   -2.48797922106910     -6.89950131081731      6.25861912675854
  H   -1.34751688186958     -6.25526855923930      5.07143970464800
  H   -4.01247464697260     -7.67038461174814      4.64245748339716
  H   -2.42780208642105     -8.01499516471449      3.90536994008369
  H   -6.76178704792098     -6.82851372830895      2.35946529738123
  H   -6.06092310647504     -7.64909056639160      3.74765371219632
  H   -4.65980731963943     -6.42229615538387      1.34527803549082
  H   -4.43856165759810     -8.01454640428311      2.09909044783287
  H   -1.65374683353297     -4.44882423534192      0.98228405647836
  H   -3.32910275227255     -4.90816562330159      0.68274538279782
  H   -1.48900328367963     -5.86624806942036      2.93467284377942
  H   -2.05932388465145     -6.85082270344922      1.56244303902190
  C   -3.40206116189051     -0.79802253212022     -0.11231362783633
  C   -3.09802167795026     -2.22585753765802      0.33989538103257
  C   -3.77575473662926     -2.60738762394735      1.66754981241302
  C   -5.27870103798490     -3.06013532150021      1.57508371393019
  N   -6.32835929893408     -2.16499492915293      2.00449996598224
  C   -6.60203961940745     -0.98844928969757      1.26876089982628
  C   -6.99028741629422     -1.05846865528821     -0.07990523319317
  C   -7.34102858490061      0.11204095879278     -0.74825789202195
  C   -7.33667039610942      1.35076725532515     -0.09790442241262
  C   -6.97360227897229      1.41531894916752      1.25345886726858
  S   -6.96826994986156      2.92568514183898      2.18238922884436
  C   -6.59799165992780      0.24803646725324      1.92843582896845
  C   -9.39518808332838     -6.24777981243229      5.62283511192238
  C   -8.22152856920983     -6.53627497245428      4.68611251731192
  C   -7.21021192696733     -5.37939473210193      4.69447438290580
  C   -7.81582252466622     -3.98367935051544      4.48342265116751
  N   -7.82488913743524     -3.26650190138708      5.77281072770097
  C   -8.00548592879312     -1.88390394092746      5.73710659712322
  C   -8.73834729334144     -1.21958584394293      4.73212254500342
  C   -8.81479833084830      0.17270118560862      4.75615196325527
  C   -8.12521379494151      0.93101166695872      5.70710082615591
  C   -7.35618618327182      0.26922813436953      6.68206910318010
  S   -6.27505770050942      1.09336881185081      7.81859064421848
  C   -7.33832823126078     -1.12301526186617      6.72623411662504
  C   -0.87419071296453     -5.53746355212320      8.11413273917762
  C   -1.21934351645859     -4.42273228990187      7.12157501280894
  C   -2.68749619434188     -4.25183350411930      6.64458134594091
  C   -3.69987634586835     -4.44854652974052      7.81249734813795
  N   -5.08118891301354     -4.55886736094965      7.25628466875301
  C   -5.89946361047431     -5.56660522476528      7.85166288821548
  C   -5.74602168436865     -6.93290193146912      7.56302738789815
  C   -6.56922199393538     -7.86941760778749      8.19106079629790
  C   -7.53797347746028     -7.47148882753482      9.10884144975395
  C   -7.70419597156527     -6.10748438533958      9.39414058157777
  S   -8.95533408834789     -5.49880294969304     10.47584555498630
  C   -6.87869893906564     -5.16108558992625      8.76692439118048
  H   -2.85417357934611     -0.56325288766967     -1.03693876797082
  H   -3.09771414280027     -0.07155928872434      0.65554650363969
  H   -4.47168548581304     -0.64383772140016     -0.30898757900040
  H   -2.00933693425828     -2.32522422474101      0.47732882439791
  H   -3.38839671998455     -2.93575591509677     -0.45050718962929
  H   -3.74306406095591     -1.71732375761685      2.31823856366281
  H   -5.55485092887343     -3.47057547553560      0.58934980547597
  H   -5.24739822238409     -3.97961743989738      2.23339053075845
  H   -6.17509998323746     -1.89577685231663      2.98374441711344
  H   -7.01980811926343     -2.02150254417215     -0.59403214967714
  H   -7.63663912846745      0.06253939697073     -1.79639973496001
  H   -7.62439218768783      2.25449922309553     -0.63401293272713
  H   -7.33234759641697      3.73344890540419      1.16276409691468
  H   -6.33695255551122      0.28808621624999      2.98561459049909
  H   -10.03317066128451     -7.13966391006855      5.70677020174919
  H   -10.01823092303106     -5.42111134121831      5.25504371338020
  H   -9.04808266877867     -5.98165724826282      6.63461604859869
  H   -8.60224096835134     -6.73094206538373      3.66843752348301
  H   -7.72582939132789     -7.45537989040317      5.02916682756023
  H   -6.83621401927353     -5.40854195258428      5.76051215838980
  H   -8.80083744887996     -3.98048114582945      4.00514049811107
  H   -7.12206574440457     -3.46553161710612      3.81439775363771
  H   -6.95077479768356     -3.45568283532719      6.26951545284638
  H   -9.22707190855464     -1.77936913206645      3.93347805814005
  H   -9.38758561951935      0.69148466583300      3.98060638368346
  H   -8.16289137239174      2.01958731490833      5.66961423519965
  H   -6.65665359964082      2.35893937219963      7.51629285634485
  H   -6.74254457814018     -1.64578072987747      7.47991800926609
  H   -1.15561110523831     -6.53830293647697      7.76448085205699
  H   -1.35112982839933     -5.38017113959367      9.09136465791862
  H   0.21225017117467     -5.54750368746925      8.28368900042807
  H   -0.94010746191291     -3.46361998528558      7.58469176745789
  H   -0.58629688441634     -4.51035786337890      6.22474852299793
  H   -2.75474754980662     -3.20169523724654      6.32379865419482
  H   -3.44554918735078     -5.34818354831211      8.39695621849947
  H   -3.61680937053397     -3.57671112263832      8.48160202778301
  H   -4.79581574109369     -4.81876424813480      6.30442809103532
  H   -4.99162243330472     -7.25435023239282      6.84256405354982
  H   -6.45776949358604     -8.93101553487821      7.95731007691399
  H   -8.16904846198632     -8.21768156477100      9.59338351775796
  H   -9.40395920687912     -6.70902017496814     10.88650932571153
  H   -7.00538092788885     -4.09466221621586      8.95183091728969
  N   -4.73449071777245     -2.85672247132747      4.62862914005783
  N   -5.12788615144154     -1.72620217011729      4.97344245058240
  H   -4.44807482708983     -1.01072265155585      5.28173574651414
