77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca
  N   -3.73012067126182     -3.48987678274965      3.17438966115503
  C   -3.50371436383218     -4.27299234517364      1.95904584451485
  C   -2.72483334376625     -5.53670136369410      2.28589975388897
  N   -3.38326052439864     -6.27143113233067      3.40506907952674
  C   -4.68890432428716     -6.85269788511652      2.94700629427054
  C   -5.76385697669053     -6.51117941596241      3.96513226971662
  N   -5.70127159266506     -5.09715238288053      4.29354595198782
  Mo  -3.65548910903256     -4.63820514107339      4.97012737302874
  N   -2.35650546164831     -6.05164705636089      5.93133488148346
  C   -1.55388221609732     -6.81111096081644      4.97841736826881
  C   -2.51312009315693     -7.35622859641704      3.94315106079961
  H   -1.05185383852420     -7.66133635679053      5.46469564067439
  H   -0.78362729570582     -6.16843245355580      4.51983620413082
  H   -3.17441040203537     -8.08187156282783      4.43535898655003
  H   -1.98838728225999     -7.86587396741002      3.11838462853951
  H   -6.75785080397466     -6.82325475220993      3.60942444586615
  H   -5.57153299975947     -7.08202348118105      4.89280055936560
  H   -4.93448509711463     -6.41717280109989      1.97210321449515
  H   -4.57981926576075     -7.93790983681946      2.80405936651379
  H   -2.91620978328251     -3.69316392873267      1.22863893980878
  H   -4.46597533905340     -4.51437223694375      1.47136796966258
  H   -1.71660380498411     -5.26609072737308      2.62333800909505
  H   -2.65686278815515     -6.18796832101253      1.39796568122570
  C   -4.11562721137507     -2.21251519177735      3.04407986058343
  C   -4.46509123471220     -1.66121811194579      1.77315256004983
  C   -4.84632252003030     -0.34696679406057      1.61250136148090
  Cl  -5.27940383153449      0.14180926301107      0.01222167431460
  C   -4.89571253574734      0.57037421198013      2.71253442722269
  C   -5.35031561847653      1.95841894802080      2.62913977860009
  O   -5.77184745431903      2.54214031412524      1.62913555204301
  C   -5.28220285662316      2.89171569958426      3.84866770906505
  O   -4.33802637901872      2.98919159038049      4.60874133993321
  C   -4.55274096072074      0.04140953750019      3.95661893073448
  C   -4.19749021907133     -1.30095018855915      4.17307568742334
  C   -4.06254882797224     -1.67723106759299      5.53412826682419
  O   -3.96663782514280     -2.85242588698415      5.99815009769115
  C   -6.65053388358993     -4.20455283374931      3.91825419320416
  C   -6.79614918244200     -3.07393587032082      4.77998505085187
  C   -7.60264765637499     -1.99921938994080      4.49465752952378
  Cl  -7.63590986925430     -0.71040044329627      5.66122680421196
  C   -8.36628257568921     -1.94805295432705      3.29146294998658
  C   -9.16237163233974     -0.80801212254016      2.84640516704822
  O   -9.45191479924515      0.19814822160523      3.50067977799391
  C   -9.63651229483137     -0.71188738095818      1.38761732706148
  O   -8.96302600093747     -0.99894096616860      0.41789553640521
  C   -8.32381000840324     -3.10495773337943      2.50462183142286
  C   -7.53090779193876     -4.22808855794787      2.76903536050353
  C   -7.59020020657533     -5.27630106489013      1.73574367708731
  O   -8.44072688855661     -5.33134764169181      0.85172867985876
  C   -1.95937311188626     -5.97198136699246      7.21114765710119
  C   -0.67635168922983     -6.40111463657427      7.65852612826258
  C   -0.29501049594437     -6.29242914583461      8.98130565925543
  Cl  1.34114861397103     -6.72393144773566      9.34617272950370
  C   -1.17034820193194     -5.79136861419838      9.99703737817645
  C   -0.83502336834732     -5.73991679174186     11.42468208239220
  O   0.06278024632964     -6.37867478869697     11.97813386905642
  C   -1.59996787356570     -4.78751897828193     12.36075123900160
  O   -2.25369603568898     -3.81790845413885     12.03271026329353
  C   -2.44437622651356     -5.40623074260353      9.56602161545860
  C   -2.85359571302341     -5.47033649061080      8.22890114935846
  C   -4.22390789937019     -5.24718434044406      7.92290375084526
  O   -4.72028876557718     -5.18455386366790      6.76610292654974
  H   -4.48160128691539     -2.29733768275000      0.89222566818543
  H   -6.13558324488757      3.61211514110428      3.85541504552723
  H   -4.59462817086549      0.69099211216456      4.82964455160776
  H   -4.12509717709862     -0.86975505153718      6.28077702810601
  H   -6.26469238405440     -3.09951095297595      5.72705045459901
  H   -10.60909001214417     -0.16793972487058      1.30366667295474
  H   -8.91459049515670     -3.14737761376992      1.58975948983678
  H   -6.78714146158664     -6.04126988735009      1.74546238594037
  H   0.06034109004283     -6.75736488510428      6.94220635900633
  H   -1.39427304556600     -5.04285453218727     13.42926840089552
  H   -3.17018179159167     -5.06037910393073     10.30105706594465
  H   -4.93144513428518     -5.17813001219756      8.76762056851676
  N   -1.74730003861891     -3.89030415688081      4.75117430655314
  H   -1.64074582591621     -2.95546169342146      4.35761023967672
  H   -1.03208385820846     -4.04465239231647      5.46427199869960
