79
Coordinates from ORCA-job /scratch/magstr/orcajob__5668057-LXsu/orca
  N   -2.70937166691461     -3.51000295253297      2.42560249274285
  C   -2.11132002695103     -4.49904286105925      1.52212712664327
  C   -2.07575859745446     -5.84797988837845      2.17939684700400
  N   -3.38234783767430     -6.08781911031229      2.82577149526273
  C   -4.42449344771115     -6.37835802057152      1.81829286979070
  C   -5.77292648002503     -6.20986695826612      2.47176141227457
  N   -5.72953382602672     -5.06260857642354      3.37019981325893
  Mo  -4.09142794969192     -4.05588525662156      4.01023854624708
  N   -3.35236270224806     -5.37811344822124      5.36041165747506
  C   -2.70686803770816     -6.65231709390863      5.08026921250789
  C   -3.27560028147879     -7.20111573042716      3.79652995943402
  H   -2.87704999311049     -7.35867922106776      5.90656963284942
  H   -1.61152286382388     -6.51560283618295      5.01259652321098
  H   -4.27674667163042     -7.61125744434552      3.97584852270132
  H   -2.64422791069634     -8.00111736591774      3.37687916493478
  H   -6.55094384466492     -6.07124853074311      1.70107511246582
  H   -6.07310264162544     -7.10872214816832      3.04334667145708
  H   -4.31228577705592     -5.67165937484188      0.98697945625334
  H   -4.29614079639554     -7.39967438821087      1.42260279144604
  H   -1.09646539974694     -4.21946876326645      1.21244176940907
  H   -2.70729111055519     -4.52797440477295      0.59142997861201
  H   -1.30136119962679     -5.87099073940724      2.95795736294248
  H   -1.86095825421358     -6.64655048637105      1.44843430784651
  C   -2.20156009208043     -2.23559609723404      2.24999648996536
  C   -0.82798656871905     -1.99972255828259      2.02189683355300
  C   -0.33339386027377     -0.72193182489446      1.77726046147302
  C   1.13377057933395     -0.57981297814363      1.59699036605190
  O   1.92390797552174     -1.50873138898400      1.57682126072331
  C   1.70293437823829      0.83473502561297      1.41085115108798
  O   2.21397621037263      1.28697421938435      0.43957029268678
  F   1.61394902090317      1.54091883005270      2.58409975092646
  C   -1.19409143578237      0.39501889023135      1.69501975448131
  C   -2.53952713264168      0.20177736276597      1.92531509440622
  C   -3.04808413649710     -1.07876875909199      2.24313011650849
  C   -4.43721330622585     -1.19167396941680      2.53398023309808
  O   -4.97437931599760     -2.17637954613976      3.09135828362936
  C   -7.00299966407063     -4.83644283813550      3.97150101683848
  C   -7.27821338146133     -5.36831903485704      5.24191555335856
  C   -8.52810798879973     -5.15243109715846      5.84651399653045
  C   -8.84475133557563     -5.54219799732082      7.25843000865365
  O   -9.85100610013714     -6.16241143589623      7.56846663991752
  C   -7.94119946014520     -4.94071593223665      8.32347821938184
  O   -7.05271167366254     -4.12853472389877      8.14024172507063
  F   -8.35652154875550     -5.20902879664313      9.56967966248144
  C   -9.54240805241990     -4.48397527761839      5.13225341551889
  C   -9.27149334681229     -3.95743851135413      3.87913444850159
  C   -8.00209420635287     -4.10376027587990      3.29297017336855
  C   -7.71243561029680     -3.46031188840105      1.99014193598112
  O   -8.52486164408181     -2.79932137007403      1.36295231562510
  C   -3.41434293547886     -5.02382696666506      6.71678452702196
  C   -4.01577578387147     -5.87049514459720      7.64359205145000
  C   -4.12159212756258     -5.50839724953286      8.99702996238479
  C   -4.86865795805694     -6.31849843045867      9.98132344338047
  O   -4.61676700263518     -6.30614580634685     11.18822026441729
  C   -6.04415878415912     -7.12202430889519      9.45693833447070
  O   -6.55450619907234     -7.07233294560948      8.35975296007503
  F   -6.56089399515508     -7.93084719625837     10.40836275464508
  C   -3.47478096666311     -4.33206672468680      9.45002064041299
  C   -2.85892708201154     -3.49070412108466      8.54659383982543
  C   -2.86814340601470     -3.77711435915330      7.15531807627366
  C   -2.30848735984256     -2.83628876476834      6.23742544716168
  O   -2.49800598328229     -2.81382517609652      4.98744501305887
  H   -0.10303081060770     -2.81112914965774      2.08536477038997
  H   -0.81013406430975      1.38831098364313      1.46086355393057
  H   -3.23477250997570      1.04260365801624      1.88630055876252
  H   -5.08689249701175     -0.33132690277569      2.28782311273792
  H   -6.50223046035199     -5.93238037522348      5.76325897616250
  H   -10.52200081830226     -4.35595398063634      5.59394852157238
  H   -10.03074226646190     -3.40105072153881      3.32664496443501
  H   -6.67433244568121     -3.60462621014679      1.61268677021261
  H   -4.45814375739060     -6.80238698071798      7.29607875855755
  H   -3.50621678370539     -4.09506669746331     10.51352699426854
  H   -2.39098230541784     -2.56401920624804      8.88599758393258
  H   -1.65619985095670     -2.04999320505202      6.65777460579227
  N   -5.10455607740170     -3.38821770612027      5.30637943103167
  N   -5.97215389449695     -2.96706753349516      6.28610699057034
  H   -6.78495825383246     -3.63324860486970      6.36466355413617
  H   -6.31690386878079     -1.99811327937603      6.16963321075971
  H   -5.57073173806029     -3.08783732055195      7.23795040158050
