75
Coordinates from ORCA-job orca
  N   -1.87654577926337      1.12206155103474      5.79963765560916
  Mo  -2.95052444832215      2.57837969267724      4.77477410515202
  N   -4.67810818213047      2.44963912010986      6.01303100461393
  C   -4.61217710198959      3.17482020836277      7.28426140097454
  C   -3.20258750719188      3.05975779586805      7.82836971893747
  N   -2.20633521694652      3.48521903773434      6.79747358880925
  C   -0.86950441834875      2.87547150459596      7.04643022959465
  C   -0.93644291255119      1.34834925997130      6.86954590035079
  C   -2.14631876294158      4.98209044220651      6.69460165987334
  C   -2.35542386150108      5.42069634599221      5.24578603885777
  N   -3.47915486958373      4.66368153644303      4.69970687168631
  H   0.06712170222186      0.96306788951660      6.62585312501167
  H   -1.26698054310224      0.84644302518215      7.79284614252134
  H   -0.18253650239923      3.30414201931013      6.30346862202382
  H   -0.50151371373972      3.14136036932389      8.05164957811833
  H   -2.55188814080603      6.50281422624007      5.20530064733329
  H   -1.45834838221292      5.20221287800008      4.64385864362081
  H   -2.95913853047306      5.39513573762077      7.30567726744392
  H   -1.19170250714813      5.34495571462130      7.10445963571662
  H   -5.32671328094751      2.74834215671539      8.00433685688266
  H   -4.90717648435859      4.23023303379024      7.14485298554264
  H   -3.00416047310884      2.01109813528400      8.08111794027700
  H   -3.06849812971561      3.66392454078737      8.74088700514411
  C   -2.44195833985827      0.05260583218712      5.28503315807276
  N   -3.36134650246225      0.46354196139924      4.39209994758752
  C   -4.06676905682032     -0.30813724053307      3.48592955478350
  O   -4.50974061122233      0.18452993361043      2.45031963582886
  C   -4.28946038703971     -1.74966361826591      3.82915017458613
  C   -4.22867650238767     -2.70751322033463      2.80802146098498
  C   -4.47525372074572     -4.04747316682165      3.09706373145273
  C   -4.80794517442085     -4.44562586986259      4.39543632694564
  C   -4.88823364344064     -3.47796344729355      5.39596172409633
  Br  -5.37170474513789     -4.00009431456756      7.16686529615496
  C   -4.62854086267135     -2.13457828412592      5.13451988352939
  C   -4.69951275680695      5.18794713651501      4.73776438037225
  N   -5.00504849745465      6.34875339699509      5.29142928831219
  C   -6.30677790529339      6.76922448409503      5.07984105421678
  O   -7.01985981044391      6.44966628771739      4.11908620408432
  C   -6.84555668696867      7.68394640166756      6.14693877731589
  C   -8.18417381250214      8.09361143066607      6.07603810775231
  C   -8.72357013835476      8.90714674982818      7.07026007857770
  C   -7.93754175151860      9.32995922375566      8.14698857383551
  C   -6.60633689069732      8.91809116283962      8.20075468282345
  Br  -5.51436254262104      9.48905333296833      9.66923557576332
  C   -6.04817361913766      8.10294780731742      7.22185046740777
  C   -5.89597770523938      2.10013690040060      5.58372488525470
  N   -7.00328950503513      2.43994461094202      6.20133266881993
  C   -8.17654569296571      1.86006861333052      5.75350249131408
  O   -8.26621014785614      0.72693252237926      5.26209558237784
  C   -9.39466084016191      2.72088221178348      5.94515390822258
  C   -9.29914045343809      4.05229358384607      6.37424196500576
  C   -10.44830797840035      4.83156641502614      6.50063186932691
  C   -11.70509823322811      4.29480541067704      6.21020308840151
  C   -11.78340073613570      2.96704450193500      5.78630912844202
  Br  -13.50209333496311      2.22305447501241      5.38446778239853
  C   -10.65110560006821      2.17459055373600      5.64517901564245
  H   -2.17950714477927     -0.99292733249419      5.50135962079636
  H   -3.99237545076764     -2.38635526110808      1.79329280031870
  H   -4.41780200440877     -4.79724866219990      2.30661885813497
  H   -5.01219962624043     -5.49148244338208      4.62330859723981
  H   -4.73305705700284     -1.38987667260208      5.92341003677059
  H   -5.49393216523009      4.56529218853492      4.30015744116417
  H   -8.78381726295345      7.75359011845558      5.23122647434989
  H   -9.76715257730906      9.22229096303642      7.01574622991048
  H   -8.35208427515485      9.96712805609443      8.92789140746886
  H   -5.00849780588591      7.78444508118270      7.27069805821013
  H   -5.92592635424322      1.54071095017059      4.63544205624786
  H   -8.31680578905269      4.46630027032862      6.59743636928229
  H   -10.36944485378319      5.87058521321675      6.82579026974540
  H   -12.60821409160420      4.89691376807724      6.30874101768937
  H   -10.71007485738746      1.14123083626932      5.30400521727587
  N   -2.14820279144849      2.75061829008178      3.19468945711735
  N   -1.98441312073173      2.97874803583411      1.91191183116002
  H   -2.74394462293120      2.67117349333193      1.30020322517147
  H   -1.04139691702574      2.83990210695724      1.54427993815863
