77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668066-znLK/orca
  N   -2.56829811438007     -3.78914855230845      2.66869789869469
  C   -2.13836398084590     -4.68767836990756      1.58583635698535
  C   -2.21730033432439     -6.11857272788439      2.07625877066070
  N   -3.47607285851233     -6.31488711435785      2.84894829711830
  C   -4.63601864174754     -6.61660545222417      1.97348204777397
  C   -5.90537470319650     -6.37440997771099      2.76363778672577
  N   -5.75308097655353     -5.12885252658472      3.53576258439167
  Mo  -3.98982844073638     -4.33258248378007      3.97083779904100
  N   -3.04473047797829     -5.39300473504436      5.33542091209677
  C   -2.50627076173015     -6.73729657024638      5.04528240435757
  C   -3.29207243470008     -7.34691919868145      3.90541115340182
  H   -2.57249764778899     -7.38816154338626      5.92796811710981
  H   -1.43238886797584     -6.64200766343534      4.79996221597417
  H   -4.28214786507413     -7.64025990067577      4.27468725007392
  H   -2.79057878956987     -8.23790359257275      3.49338230099751
  H   -6.76533652242217     -6.31294445890972      2.08363825572546
  H   -6.11316451405771     -7.20185705811445      3.46647472271295
  H   -4.59472013617101     -5.93090568946370      1.11567300836030
  H   -4.58436275328713     -7.65239251832708      1.59702981934757
  H   -1.10822495644847     -4.45621711391314      1.27251418654879
  H   -2.78333210600749     -4.52430997477082      0.70360183419265
  H   -1.37764108928138     -6.30982007516879      2.75598413709534
  H   -2.15882850951593     -6.84178736549580      1.24668350249898
  C   -2.02441128560696     -2.49513977997349      2.67230407342583
  C   -0.63637556043324     -2.33632101031469      2.81435674453527
  C   -0.06164774256021     -1.06645286232902      2.88211014889482
  C   1.40313152964525     -0.89233944736484      3.09539474932916
  O   1.99358887847837      0.15323741196985      2.92132714209502
  C   2.18060422919204     -2.11328014919080      3.66261300839290
  O   1.76864949636110     -2.81559632742296      4.54180357637414
  Cl  3.78686827538710     -2.28831885468424      2.95022860917966
  C   -0.85895321216237      0.08534678590857      2.75316257805493
  C   -2.22540162818432     -0.04986522967756      2.57500372808121
  C   -2.82274530327887     -1.32517184965568      2.54225636791488
  C   -4.26406245493628     -1.46106644832764      2.33447997834488
  O   -4.97103024960162     -2.41944760545815      2.58375953679576
  F   -4.84099969258596     -0.37124179573865      1.78811249299209
  C   -6.95392801441292     -4.59040928393835      4.06802032081593
  C   -7.15452202518338     -4.69299248291630      5.45289564878764
  C   -8.28352242057675     -4.15097876299953      6.07125635380747
  C   -8.47701412552952     -4.22970690049932      7.54084106406847
  O   -9.48266071424479     -3.87513230191640      8.12466265577580
  C   -7.25948357095514     -4.66316024658425      8.39143329869002
  O   -6.19753427951389     -4.10749273522287      8.37410970493569
  Cl  -7.65456752854086     -5.96243484731615      9.52794539625673
  C   -9.26727600168257     -3.51360622130838      5.29483644742371
  C   -9.07795277793665     -3.39352896410069      3.92922790670534
  C   -7.92967454898244     -3.90985342205241      3.29240039681781
  C   -7.83177432010826     -3.58109409351332      1.84802273548143
  O   -8.54088641958187     -2.83666713528056      1.23744401849414
  F   -6.81158966217481     -4.22350390198308      1.18744704669219
  C   -2.69281197513223     -4.89156390266627      6.61701692142980
  C   -1.83858050310729     -3.78435444728344      6.68299570074618
  C   -1.47403262652732     -3.22309160619740      7.91319141408429
  C   -0.60605334061849     -2.01437686170400      7.99531251527871
  O   0.05224783742787     -1.71483112274683      8.96826171300308
  C   -0.64419688661206     -1.05193792639488      6.77041328915276
  O   -1.60502407808386     -0.90225850676499      6.07122528518254
  Cl  0.84019940784322     -0.10655691517829      6.59052842389961
  C   -1.91671515524381     -3.80628218546922      9.10861385899299
  C   -2.76269406014373     -4.90575527131561      9.06044795577408
  C   -3.17975201831537     -5.44661191923283      7.83156821497305
  C   -4.19829183172497     -6.51863026626330      7.82261064935162
  O   -4.86619171216615     -6.91307092095309      6.90601000106171
  F   -4.37617971962318     -7.06538115800016      9.06241784963836
  H   -0.02419610439836     -3.23091541468019      2.92352539354029
  H   -0.39124075919810      1.06773455214764      2.81250251048726
  H   -2.85458751894755      0.83397205589683      2.47439260870604
  H   -6.38624716179170     -5.20298745200324      6.03423645514137
  H   -10.15411349052478     -3.10331017337147      5.77822911723239
  H   -9.81023302584867     -2.86898664636286      3.31521770236849
  H   -1.45291378717268     -3.37237780850817      5.75134796833598
  H   -1.61327426784261     -3.37423655350594     10.06197208256721
  H   -3.14545341355753     -5.33717713916245      9.98398504221708
  N   -4.46154767593784     -2.93791105972759      5.21728216916201
  H   -4.16216846733955     -2.89100370435888      6.19609021716625
  H   -5.16461405339778     -2.21025952133805      5.05317084945840
