68
Coordinates from ORCA-job /scratch/magstr/orcajob__5670643-v1b3/orca
  N   -3.96100684205412     -4.67073082708399      1.87215337724867
  C   -4.08699870137451     -5.91198882085409      1.14981721899770
  C   -2.77187718506512     -6.75281161495798      1.20283253637886
  N   -2.39039104389099     -7.21759896671607      2.50568488702730
  C   -3.23329804166859     -8.16374681751019      3.18775464373115
  C   -3.93693853324452     -7.57853807831880      4.43315868462185
  N   -4.65154908209806     -6.37513558621136      4.12032956604435
  Mo  -4.17485497134783     -4.31683046029033      3.85696133679314
  N   -2.32762715119057     -4.91798781534207      4.40456582858832
  C   -1.16150354774550     -5.30665420775885      3.64874048607972
  C   -1.18033742262594     -6.77764080509956      3.15193047164402
  H   -0.24714296756587     -5.15522034469516      4.24722466199480
  H   -1.09141667189848     -4.62616962594470      2.78942326431910
  H   -1.00369817112228     -7.44652498824479      4.00710923126463
  H   -0.31166608880316     -6.88654104523493      2.47692485816170
  H   -4.62001723773366     -8.33400328238691      4.85301140028567
  H   -3.17991980456549     -7.38178248807447      5.21077237165266
  H   -3.99537496504744     -8.52437331103535      2.48222443965092
  H   -2.65056664817667     -9.04331750540489      3.51845167422756
  H   -4.31789121255521     -5.72997459011105      0.08876242548259
  H   -4.91680224248863     -6.49424403169840      1.56713737555038
  H   -1.95054026598568     -6.15103343346245      0.78712373278449
  H   -2.93288373965241     -7.60591082930727      0.51671193822651
  C   -3.36523114961541     -3.58343430394455      1.28049413887073
  C   -3.39012626924398     -3.23200041514494     -0.08695711679715
  C   -2.87846281179847     -1.99645942642426     -0.45288064661973
  C   -2.34290312290737     -1.14542303159175      0.52255766459134
  C   -2.28913140111682     -1.60097954155935      1.84221176429868
  C   -1.46739655553803     -0.86496267903557      2.85513873252807
  O   -0.72143127916140     -1.42690999929008      3.62669056280742
  C   -1.63756197614947      0.67892019469905      2.86278807656596
  O   -2.57325668932644      1.24622513289379      2.38548567574396
  Br  -0.19943447108330      1.59010496744432      3.81356709662700
  N   -2.77943316187698     -2.79609727901207      2.20859363721229
  C   -5.98582992560698     -6.24067937849549      4.20716263419577
  C   -7.05090347765268     -7.13694254456873      4.41065383807092
  C   -8.33982260757906     -6.61875248111911      4.31969155538525
  C   -8.56302083029229     -5.26830131643099      4.02012858279349
  C   -7.47025263642991     -4.41506739775911      3.85784750548463
  C   -7.67032140093511     -2.99055672262458      3.49808248464601
  O   -8.79490991162581     -2.50260070420342      3.35666735560077
  C   -6.43609965662113     -2.20128528424745      3.30969957502462
  O   -5.26221920662158     -2.62030821753762      3.46094222954085
  Br  -6.65691757272880     -0.38438229873600      2.81417886506162
  N   -6.21797566599185     -4.90710418324661      4.00840523075540
  C   -2.51664037457248     -5.10026636033779      5.73723879030513
  C   -1.66693539629794     -5.65548538692405      6.71721363183659
  C   -2.17996496827186     -5.84487684103576      7.99348432278046
  C   -3.51053775052980     -5.50937542046701      8.26705178074822
  C   -4.29600516358147     -4.93058910552538      7.26542025532767
  C   -5.71001774664145     -4.59647768254409      7.61759218118784
  O   -6.32133650298779     -5.21790351589702      8.46179419873659
  C   -6.34034238162433     -3.33270277576828      6.97262134385271
  O   -5.71384085776446     -2.43522361825207      6.49391440876130
  Br  -8.27934921241636     -3.28577333559881      7.16231938626671
  N   -3.80578916694557     -4.70160084214859      6.02832267353677
  H   -3.84410807892117     -3.88943287152108     -0.82672990313541
  H   -2.90692112481445     -1.68020582097602     -1.49620942459493
  H   -1.93159234698271     -0.17396569959463      0.25394548110720
  H   -6.87293923802574     -8.19284842410348      4.60631566996377
  H   -9.19337508466685     -7.28159332927738      4.46860046050281
  H   -9.56366021438299     -4.85437415987430      3.91360203444502
  H   -0.64651159293167     -5.93897592727733      6.46102702917407
  H   -1.55125427572553     -6.26644056035772      8.77819816473973
  H   -3.94991174472287     -5.66914961677336      9.24997556682608
  N   -3.25103814149332     -2.31976969981857      5.00923537788419
  N   -2.37801800553981     -2.25849409400114      5.78365659691748
  H   -1.88068931235539     -3.13519352624721      6.14153611968549
