78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca
  N   -3.60595438314770     -3.45009043951238      3.13398077573007
  C   -3.40582848676535     -4.28233033262879      1.94845328818290
  C   -2.63188661299773     -5.53906739656088      2.31098604022416
  N   -3.27484146950321     -6.23818665671144      3.45978541332263
  C   -4.60665582822768     -6.79695907470799      3.04550212136675
  C   -5.65888864758110     -6.37580472804463      4.05735061030883
  N   -5.57211995259734     -4.94787758337001      4.32362475885331
  Mo  -3.50654899328039     -4.54851823630866      4.97718175522511
  N   -2.32615508463690     -6.15475350199527      6.04211101964310
  C   -1.48109995607624     -6.82463721041763      5.07355814420495
  C   -2.40197305917461     -7.33326115878629      3.98421499932249
  H   -0.95239344753302     -7.68953966452625      5.50600491589366
  H   -0.71643884559277     -6.13221194298753      4.67315765184333
  H   -3.06439159018285     -8.08627818542651      4.43004232331686
  H   -1.85157391903502     -7.80396664323627      3.15329898275664
  H   -6.66416824510555     -6.68070411223690      3.72748453772837
  H   -5.46889294567875     -6.91018347486831      5.00728895057212
  H   -4.85293994122371     -6.40721201930541      2.05123888868105
  H   -4.53655246568439     -7.89060199480184      2.95863292558882
  H   -2.83250909114295     -3.73683561421868      1.17951985372928
  H   -4.37625844429198     -4.54170146815851      1.48815557237514
  H   -1.60809384305159     -5.28036715985404      2.61155132690830
  H   -2.57926177921929     -6.21573774279297      1.44027987819247
  C   -4.05907365957491     -2.19747760939847      2.95803167948208
  C   -4.47524403960334     -1.72002993006021      1.67797668769271
  C   -4.91672580195935     -0.42957380759311      1.47563926413003
  Cl  -5.43951025063900     -0.03459445013154     -0.12354532157716
  C   -4.95701885387824      0.53446662359049      2.53339130727226
  C   -5.46913300551806      1.89867638744211      2.40782869640537
  O   -5.94139111808264      2.42448621625517      1.39825718732539
  C   -5.40510787762273      2.88316862118571      3.58569032518872
  O   -4.43590877565075      3.06165221829085      4.29863906744408
  C   -4.54019530686344      0.07693628241813      3.78539685919813
  C   -4.13114212739393     -1.23913863966829      4.04624026489112
  C   -3.92385933841789     -1.54513482681324      5.42254942406638
  O   -3.82120834247633     -2.68618771589953      5.95154385446010
  C   -6.54490278660907     -4.07255612450277      3.97774676915271
  C   -6.68021822330574     -2.93113226117705      4.82633463101720
  C   -7.52218612638199     -1.88073869623795      4.55560544537544
  Cl  -7.53227755835762     -0.57075521509349      5.69997232863868
  C   -8.34088509034353     -1.86875483639526      3.38708067256412
  C   -9.17345148747891     -0.75232188339774      2.95372508371554
  O   -9.42771135385415      0.27811147171050      3.58614940467542
  C   -9.74733976955125     -0.71009750905258      1.52950762479453
  O   -9.13096160189755     -0.99980836122201      0.52284161818985
  C   -8.30579607806350     -3.03935430000968      2.61922091313319
  C   -7.46984553203713     -4.13410848656476      2.86612999891654
  C   -7.51491174907114     -5.18801766017870      1.84049574160919
  O   -8.40061408653876     -5.30392727594773      0.99778094150056
  C   -1.93838866181012     -6.09230876431306      7.31705088130362
  C   -0.65809652652569     -6.52544089276400      7.78391977852946
  C   -0.32178175082507     -6.49442789068826      9.11955606133028
  Cl  1.29401185088697     -6.97922252106343      9.52213223205729
  C   -1.23096642766459     -6.04457699577277     10.13319972354999
  C   -0.96391576619536     -6.08065123654108     11.57013181403912
  O   -0.03462176794037     -6.66313015328593     12.13441034410878
  C   -1.84619585686296     -5.28451160831385     12.54916416866040
  O   -2.35949882584172     -4.20591928202278     12.32854459122499
  C   -2.47871878628029     -5.60377908430282      9.67782653311736
  C   -2.84504866757435     -5.59372097497455      8.32831278695873
  C   -4.15999970009672     -5.18040270626149      7.98634390427558
  O   -4.59932041447782     -5.01038224074477      6.81731666259749
  H   -4.49874168762174     -2.39646685681921      0.82764037127335
  H   -6.29533794097042      3.55697793975126      3.60228696448755
  H   -4.56898546309944      0.76662123652701      4.62772841138716
  H   -3.93645196229344     -0.69040554355659      6.11930454656399
  H   -6.11366699203288     -2.93062413769463      5.75294543100209
  H   -10.74008430976450     -0.19780275564588      1.49807229379146
  H   -8.93055091695382     -3.10968708067240      1.72903775421117
  H   -6.65811284598472     -5.89359007480596      1.81050870820282
  H   0.09809292377578     -6.85363338460100      7.07440157603738
  H   -1.83026300820537     -5.74590299971944     13.56694979759289
  H   -3.21335931032313     -5.25515810091504     10.40345982071724
  H   -4.86953463048733     -5.00223061064925      8.81485157754579
  N   -1.76733160277961     -3.87133494110752      4.90159607980486
  N   -1.13232775197943     -2.91880810141122      4.31078555347760
  H   -0.18696487699737     -2.67774208696726      4.60516977903512
  H   -1.56282535017263     -2.40499604075505      3.53091364988307
