77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668054-pmGu/orca
  N   -2.74597841724064     -3.54839442266901      2.40291851378123
  C   -2.14994224026869     -4.52677023695309      1.48752177148304
  C   -2.08465512089885     -5.86531425817459      2.17324909204252
  N   -3.38595845002426     -6.09788143922243      2.84230004581663
  C   -4.40552409764243     -6.45495106340096      1.81977767655370
  C   -5.76734460884276     -6.26734980922862      2.43018866851222
  N   -5.71665670172051     -5.08302242425210      3.28501771992333
  Mo  -4.08060606311904     -4.07033330753497      3.92252948464955
  N   -3.39001522889053     -5.34165597599618      5.37279153701728
  C   -2.74269513391339     -6.63199455351192      5.12254532593621
  C   -3.27403580344626     -7.19955114040623      3.83527677636284
  H   -2.91794158180855     -7.32866599996194      5.95486471023431
  H   -1.64897967218884     -6.47535904286785      5.06564690398792
  H   -4.26984508730209     -7.63096148902846      3.99479146961154
  H   -2.61116383958867     -7.98336928178920      3.43477067044507
  H   -6.53147715701094     -6.14154648174916      1.64457762320090
  H   -6.08028064298615     -7.14201494532771      3.03162601965596
  H   -4.28630543245355     -5.79017306937499      0.95656694928204
  H   -4.24408846702335     -7.49340456161189      1.48897401262647
  H   -1.14699476210122     -4.22073365405386      1.16979140264871
  H   -2.75940433054018     -4.57440862477495      0.56809288886039
  H   -1.29421315672444     -5.86115923336098      2.93576046796884
  H   -1.88602293353589     -6.67643098986211      1.45319293175462
  C   -2.24042533184549     -2.26001971748081      2.27470829069261
  C   -0.87988277022151     -2.02417917995979      2.00827013575190
  C   -0.38482517147303     -0.73828644372095      1.78962730155878
  C   1.07022181603541     -0.59723073466631      1.57126565556457
  O   1.86020439334850     -1.52932343749252      1.50418350936089
  C   1.64245220960185      0.81824543523637      1.41286769924043
  O   2.14646919433577      1.29684159357186      0.45063577549054
  F   1.56488444487022      1.49515586161381      2.60780519518053
  C   -1.25306591344536      0.37956471509820      1.76944770618456
  C   -2.58257181510569      0.18840061076942      2.06394456395088
  C   -3.08938248262210     -1.10163131996499      2.37869193630212
  C   -4.42179020090061     -1.21912873061643      2.80755723050857
  O   -4.91391767217538     -2.28131962243605      3.33796295745685
  C   -7.00541174772682     -4.81163021403515      3.83421041152840
  C   -7.30761022130355     -5.33033397857441      5.10035549496275
  C   -8.53640488802399     -5.05618531829941      5.70603278893714
  C   -8.79500263427083     -5.41880811284836      7.12981905326667
  O   -9.80581284879804     -5.95936654083623      7.52031516200159
  C   -7.75531926346978     -4.89530306925734      8.17335655265369
  O   -6.81756896445671     -4.16722475090008      7.99027917624650
  F   -8.22019235066620     -5.10492081888132      9.42597349147184
  C   -9.53364069747533     -4.35887208906988      4.99329391163951
  C   -9.24479401461525     -3.86567611723093      3.73029365299434
  C   -7.97845227836305     -4.05812856263767      3.14495393591022
  C   -7.66233654838122     -3.43881494949674      1.83750200863240
  O   -8.45172596664878     -2.76539831968569      1.19469375891355
  C   -3.42790035411683     -4.98034055986105      6.72292131843067
  C   -3.99365673195061     -5.83231863939215      7.67195695159080
  C   -4.03578489360237     -5.47205904019120      9.02466445698122
  C   -4.74274418530456     -6.30290547197131     10.02833874707749
  O   -4.43827218179114     -6.34162422675597     11.21011463929332
  C   -5.98294755860261     -7.07870946958633      9.54374426962086
  O   -6.55420769481094     -6.95796163095353      8.49039118043798
  F   -6.46882810651893     -7.87873259739851     10.50366408737852
  C   -3.37725679943191     -4.30147716595043      9.46280529645277
  C   -2.80279469062752     -3.45346076516359      8.53509315499686
  C   -2.86645335427530     -3.74296896013144      7.15186295169863
  C   -2.36158594137498     -2.79661257988241      6.19893341746345
  O   -2.61361437085036     -2.81626858240458      4.96687680825855
  H   -0.15332359182593     -2.83696206058238      2.01909696054101
  H   -0.87722793787138      1.37873525389599      1.54454864080185
  H   -3.27076156605592      1.03549783906289      2.09818040213641
  H   -5.10984198432290     -0.36652580535589      2.72499094308722
  H   -6.55203456405787     -5.91183025762959      5.63121105834714
  H   -10.50521127197936     -4.18419111334273      5.45735458726602
  H   -9.98569174252864     -3.29312656524632      3.16892946864880
  H   -6.62477309857100     -3.61549189675332      1.46956787414404
  H   -4.44384208628723     -6.76658711586961      7.34190279637800
  H   -3.36455680865397     -4.06898542680331     10.52783225099640
  H   -2.32623713203054     -2.52522169103018      8.85815568832635
  H   -1.70905818703542     -1.98454538326809      6.56437437926150
  N   -5.27563691353476     -3.45704570410221      5.39333342483163
  N   -6.00053062685022     -3.00842236823482      6.22000626683659
  H   -7.01280197206852     -2.88487319818320      5.96645195995866
