79
Coordinates from ORCA-job /scratch/magstr/orcajob__5661770-DWpt/orca
  N   -2.87293004554405     -3.56166659719857      2.43615867319211
  C   -2.26469164696165     -4.36264747529103      1.38136400339178
  C   -2.19396552559173     -5.80473993686237      1.84069500447613
  N   -3.48611375155933     -6.16706233991205      2.45864613992222
  C   -4.56204223201079     -6.33072142808346      1.45423532572250
  C   -5.89378056480685     -6.10798155112468      2.13226050754070
  N   -5.81694796749919     -4.91859749961490      2.97174882227069
  Mo  -4.07978523552019     -4.40584269147961      3.72491572042608
  N   -3.30806405167422     -5.61937240638574      5.06773998406785
  C   -2.71937848766581     -6.88970878727041      4.65271420083458
  C   -3.38067111247594     -7.32926344906800      3.36531370504432
  H   -2.88871362753918     -7.67237145762589      5.40847216360319
  H   -1.62340508115886     -6.80233265905136      4.53830647126104
  H   -4.40014797322849     -7.67523783252921      3.58390969799605
  H   -2.83607013238914     -8.15629321435067      2.88056192320002
  H   -6.67232276099780     -5.97036791703992      1.36173965287760
  H   -6.19361473403613     -6.99705100084729      2.71810181203682
  H   -4.41607856177196     -5.56862182869893      0.67842610372562
  H   -4.50142540542203     -7.32396822275077      0.97856620117432
  H   -1.24286013382453     -4.01182964637541      1.17266059683941
  H   -2.83523885430623     -4.25883894126627      0.43922758558945
  H   -1.41696117995311     -5.89261913993724      2.61137082985198
  H   -1.94576458469267     -6.49238088703100      1.01452657705254
  C   -5.09548124673366      0.66249387202359      2.00178546584122
  C   -3.72560099486896      0.00198650562403      1.96878379056704
  N   -3.78854850946995     -1.34271698474480      2.55043233752909
  C   -2.56977919423601     -2.13062288589721      2.37491763995687
  C   -1.51581469744896     -1.71538747885642      3.41359025406284
  C   -0.11001232577955     -2.21304465361547      3.16899839274678
  F   -0.02006591889602     -3.62754155099885      3.32272092674175
  C   -8.39492625832406     -0.90662688008947      3.93712397656304
  C   -8.49177530860763     -2.38884719687892      3.60927571431316
  N   -7.15351724201268     -2.99140738143723      3.59778088891792
  C   -7.14451573519571     -4.42799365555548      3.38903073159577
  C   -7.67448583084149     -5.27617867170353      4.57063743541948
  C   -6.93577906281413     -5.02260018585579      5.87198342274020
  F   -7.08088809155858     -6.13302926225139      6.72647760617306
  C   -0.71041193317133     -3.21230572557298      8.07358810251011
  C   -0.47383106232318     -4.23363379999034      6.96339193479434
  N   -1.57695742912591     -4.28302379392605      6.00676652507048
  C   -2.79491361152962     -5.04571098272479      6.32279000862949
  C   -2.63027870037493     -6.10602959815773      7.42508925798194
  C   -3.94701862677045     -6.76782331678182      7.77598226467063
  F   -3.74039052192994     -7.69984091500301      8.81073903702675
  H   -5.04308845031579      1.67944782232434      1.59066805956287
  H   -5.47488570513736      0.72403355820484      3.03156466456460
  H   -5.82342347383073      0.09334065114280      1.40358548099484
  H   -3.01124473218240      0.60691037899225      2.54930053747965
  H   -3.34255364467399     -0.02300865685316      0.92595733162516
  H   -4.56989646951039     -1.85497453292610      2.12957303017903
  H   -2.14617303699845     -1.95061472880192      1.35998521150038
  H   -1.85832310928201     -2.03357615888880      4.41076163126751
  H   -1.45576201499089     -0.61472635578663      3.42513609209134
  H   0.24019735205443     -1.99101402102736      2.14852063597402
  H   0.59250155293279     -1.77981044593300      3.89486432798186
  H   -7.74541357727466     -0.38546123660285      3.22013437949159
  H   -7.98184345369975     -0.75264611071916      4.94655236519094
  H   -9.38882825775493     -0.43980060879847      3.91353148534442
  H   -8.93326350154404     -2.53057146733125      2.60915228103359
  H   -9.17782607093583     -2.87799866292313      4.33067007649945
  H   -6.67335745755851     -2.76027189389344      4.46904844194575
  H   -7.81823687845932     -4.60628351470442      2.53189514826798
  H   -8.74943313899392     -5.07939340688976      4.69706251577895
  H   -7.57622313927187     -6.34424262429784      4.32289558062536
  H   -5.85458527619590     -4.86958617845230      5.70597534692068
  H   -7.33098109018304     -4.14858745032906      6.41320380423397
  H   -0.85167439313772     -2.20803142996528      7.64928164559706
  H   0.14598626799578     -3.18315894085090      8.76254034004208
  H   -1.60451461177289     -3.45599485707434      8.66715863922593
  H   0.41790061189724     -3.94360019873728      6.38793947383563
  H   -0.24160925974105     -5.21946079247775      7.40844656281025
  H   -1.26995979729344     -4.50931436091392      5.06468225215599
  H   -3.57351090447633     -4.34561342249289      6.67125025898888
  H   -1.88379926015886     -6.86422917957146      7.14593442856600
  H   -2.25045846935185     -5.60437883577887      8.32642667501435
  H   -4.68656252656158     -6.03487973565170      8.13381924929530
  H   -4.38897054017996     -7.31541513249747      6.92923910074790
  N   -4.45769422102860     -3.01734064231734      4.69726108501183
  H   -4.54750536974059     -2.12836937498691      5.19675144420480
