77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668081-KPT6/orca
  N   -2.61281100710188     -3.04574788747687      2.46820260930493
  C   -1.52784328213068     -3.75672088345930      1.77777847380701
  C   -1.37503087255156     -5.14941879637340      2.35429460632883
  N   -2.69490913750575     -5.58864496459699      2.87153064082174
  C   -3.71129098688560     -5.69650924238296      1.77933016902630
  C   -5.08888645254010     -5.64080641764871      2.39268875984555
  N   -5.17136712531418     -4.52042008529801      3.33514770788267
  Mo  -3.29440885994462     -3.98334549988616      4.29932411200658
  N   -2.45092743766860     -5.58273769341726      5.53777321664682
  C   -1.85152750431842     -6.72665699469068      4.84148255586728
  C   -2.58138966474238     -6.90420560744523      3.54616609380343
  H   -1.95507099469877     -7.64475161676290      5.44007478094581
  H   -0.77125983688403     -6.57079560032353      4.67831253668109
  H   -3.59761612701805     -7.26804743071928      3.73892039486412
  H   -2.07345739561853     -7.61843264365686      2.87748333796491
  H   -5.83282791041211     -5.58120057690431      1.59078334597088
  H   -5.31111407773410     -6.56700270472932      2.95555596993285
  H   -3.60743702677845     -4.84836822531871      1.09970614938224
  H   -3.53727344031585     -6.63348322586631      1.22483413663349
  H   -0.57597296775212     -3.20898664675957      1.87378333561596
  H   -1.75459269997474     -3.82853850965927      0.70390845852745
  H   -0.67090821262706     -5.15022804103869      3.19237639059335
  H   -1.01884721847494     -5.85745737244088      1.58682381627368
  C   -3.06584427352736     -1.94686274596765      1.83942728845664
  C   -2.51370206357796     -1.48997632553757      0.60004263171349
  C   -3.05847495089992     -0.46215979672060     -0.14386005991054
  C   -2.33864424701943     -0.08313088940848     -1.39604449747240
  O   -1.43104113904771     -0.75646639110331     -1.86899502044420
  C   -4.21764854717832      0.24582497747574      0.33007515965448
  C   -4.95864339054972      1.27384038029070     -0.40639448822124
  O   -4.78611878570604      1.61586626656033     -1.57148489445283
  C   -4.68399879691892     -0.08089850331086      1.59230828562042
  C   -4.13249915631799     -1.12039717226031      2.37016117357358
  C   -4.59236625720428     -1.26176479058285      3.68720442057329
  O   -4.19245640921128     -2.14250396011048      4.51272223586428
  C   -6.33836032480071     -3.80314154757733      3.30983704728599
  C   -6.89957835035048     -3.36495731552009      4.53631766004588
  C   -8.14690064928734     -2.75945193703495      4.64466612316481
  C   -8.53563797738176     -2.41780911832122      6.03125061777344
  O   -9.55030085255379     -1.84433559890505      6.40032082807390
  C   -8.93220555203227     -2.52595528829040      3.47038560085625
  C   -10.28410462719434     -1.93431982786376      3.46382094216823
  O   -10.93245368670641     -1.75437367864431      2.43364985608081
  C   -8.34741041537890     -2.85615290002740      2.25049686287703
  C   -7.07568730130337     -3.43539781911151      2.11715428751992
  C   -6.53468562547976     -3.36720072283574      0.75719828422677
  O   -5.38533850457150     -3.60810463953345      0.38955230452802
  C   -2.09204057959159     -5.47682948419164      6.83605775002682
  C   -1.03524629745147     -6.25622600267522      7.40402214051972
  C   -0.62591774607400     -6.13190680985591      8.71793628711432
  C   0.48233104906469     -7.03403868385915      9.16160039965618
  O   1.25445454933942     -7.56430985619030      8.37556384672310
  C   -1.30096449801720     -5.23637391524222      9.61368657082164
  C   -0.89794085356598     -4.97030890216957     10.99614745343160
  O   0.12937946906671     -5.36015180004618     11.54147563162785
  C   -2.38933721941923     -4.53626550888612      9.11316320758928
  C   -2.78452543874622     -4.61234990622834      7.76612627434001
  C   -3.98152125011643     -3.97100670495161      7.37756143163118
  O   -4.39716666246409     -3.86601934844824      6.19754075811783
  H   -1.61515213813733     -1.94081662460551      0.18384154279633
  H   -2.66448618475764      0.86205418147961     -1.87252924290289
  H   -5.76649502106067      1.74916940733396      0.20648555290144
  H   -5.52364007364277      0.48089548312743      2.01257379445591
  H   -5.33828549622946     -0.54545944736041      4.06653964768879
  H   -6.33746549579752     -3.56796455377266      5.44630458605684
  H   -7.76469148774538     -2.73347709424588      6.78073232250595
  H   -10.69662086787259     -1.65311078609165      4.45312676029575
  H   -8.90373642182466     -2.60076059677631      1.34359641946233
  H   -7.28167216384348     -2.98325971171610      0.02028879174816
  H   -0.47302862467155     -6.96274746004084      6.79669094742780
  H   0.54723011590151     -7.22037890390573     10.25194180524523
  H   -1.62793308808401     -4.33130687917311     11.55439922712139
  H   -2.95417189334202     -3.87906505590786      9.78142646097800
  H   -4.63716191216416     -3.57186193894829      8.17271080785198
  N   -1.59968633243713     -3.12069443419386      5.01337268896560
  H   -1.01764801013214     -3.46094145023039      5.77873113935384
  H   -1.33848830299056     -2.16510520103123      4.76981574816403
