77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668070-RzPq/orca
  N   -2.72092638865724     -3.71228537498640      2.72218067484608
  C   -2.28935141833433     -4.55162503662864      1.59436244179429
  C   -2.18671549670108     -5.99253818757433      2.05104597356527
  N   -3.37515645329738     -6.34276594999630      2.87857983563851
  C   -4.55863181855769     -6.69965886108304      2.04907442500161
  C   -5.80570838631294     -6.55474849781058      2.89966288434672
  N   -5.71532287407609     -5.29803888360077      3.65629630415085
  Mo  -3.94327828757562     -4.49874722463904      4.09788954151677
  N   -2.91334987491867     -5.56531273801709      5.37055498169451
  C   -2.28675867714527     -6.84382519236836      5.01071337973776
  C   -3.05173329075150     -7.43064902058945      3.84501641803204
  H   -2.31596070652527     -7.54142943845459      5.86059121027514
  H   -1.22213086663470     -6.67043399982456      4.77034983705936
  H   -3.99641149478439     -7.84447584287608      4.21693711307205
  H   -2.48913311733565     -8.23314180888393      3.34180949809764
  H   -6.69600443587536     -6.57364539450847      2.25680761138387
  H   -5.91627731573046     -7.39167888333341      3.61127530871958
  H   -4.60800375187675     -5.99315072654730      1.21024469074947
  H   -4.45162758953168     -7.72002926287195      1.64617266036294
  H   -1.31693408481026     -4.21518710097260      1.20371995264642
  H   -3.01542726893562     -4.43862727452332      0.76936678159668
  H   -1.29862720189032     -6.10620414492307      2.68657661764204
  H   -2.09438990013291     -6.68656859426619      1.20031165358898
  C   -2.24379149675342     -2.39465824663539      2.75595025459918
  C   -0.85706893411693     -2.17633582981616      2.78216865262694
  C   -0.33179461626659     -0.89220008870091      2.92625769395774
  C   1.13393693271392     -0.66026820940172      3.03422468070506
  O   1.64455501886168      0.43806165350210      3.13286868422832
  C   2.05041304399259     -1.90294888421926      3.10700624989577
  O   1.92735059702540     -2.78385249024863      3.90913501176236
  Cl  3.38140664633847     -1.83240280041520      1.93813169046262
  C   -1.18783723173281      0.22223966890253      2.98677810353182
  C   -2.55560840099740      0.03249120843247      2.90975185189162
  C   -3.10271926779379     -1.26226085957818      2.80065908284793
  C   -4.55048247761455     -1.43987709908154      2.67549748293584
  O   -5.20320068655853     -2.45334070849220      2.78834999430749
  F   -5.20542279704555     -0.28800424770811      2.37682815744718
  C   -6.90943261298671     -4.65555174735076      4.02707991422494
  C   -7.11561090000084     -4.43465540228418      5.39858185407316
  C   -8.23843832517383     -3.75818415303997      5.87624678089701
  C   -8.41288989880696     -3.49657598510676      7.32329301818259
  O   -9.38778860734965     -2.97268984817850      7.82805816331850
  C   -7.22703669848115     -3.82700110975773      8.25737966334901
  O   -6.14963308208965     -3.29207258980007      8.19706223784227
  Cl  -7.64165787409286     -4.97909613353146      9.51815715140503
  C   -9.23222480174449     -3.33038697420534      4.97918230448820
  C   -9.06349077096244     -3.56827428682441      3.62496419136634
  C   -7.90881506069207     -4.20019391605311      3.12312909355654
  C   -7.84174534693868     -4.26538439492456      1.64333845786004
  O   -8.75209306710973     -4.15918367788782      0.87683317909455
  F   -6.56569543404625     -4.42747940842906      1.15324208551477
  C   -2.64129351514248     -5.09041774143146      6.67999837991043
  C   -1.73244982395888     -4.03811027868660      6.82573460192594
  C   -1.46752383257521     -3.48213069609219      8.08170648021053
  C   -0.52115707437424     -2.34515078748156      8.25981161251509
  O   -0.11240712991143     -1.97046771695809      9.34031636423842
  C   -0.13780287730756     -1.53622844127000      6.99479694636095
  O   -0.92888551088626     -1.20159162081316      6.15892522219579
  Cl  1.55909922507790     -1.04550903857101      6.97560086486470
  C   -2.08691326798634     -4.01175286915590      9.22439532251553
  C   -2.98230653991456     -5.06299853460496      9.09673227347149
  C   -3.28274379471429     -5.61089747856042      7.83558116437274
  C   -4.31120413623187     -6.66595069243939      7.72032791770423
  O   -4.77267377926224     -7.16945008486124      6.73352592202767
  F   -4.77416056095358     -7.06435395240940      8.94728041804964
  H   -0.19814502358833     -3.04314809921854      2.76014268707474
  H   -0.76050203188906      1.21803931795831      3.09922938524388
  H   -3.22787639760881      0.88853722117650      2.94270130899132
  H   -6.36491574049275     -4.83070788432991      6.08198368398177
  H   -10.11340910613652     -2.81221064337199      5.35685983199786
  H   -9.81271183232847     -3.23169505554717      2.90837416897223
  H   -1.25089100759997     -3.65251765922450      5.92757265455577
  H   -1.86597262226620     -3.57909964569945     10.20002196120177
  H   -3.48282491631010     -5.45926081905789      9.97832518686380
  N   -4.29482644750153     -3.10881751637062      5.27276120580664
  N   -4.46259780742434     -2.16672975645036      6.00901048719525
  H   -5.16121859789777     -2.32755052641458      6.77530946585909
