74
Coordinates from ORCA-job orca
  N   -1.86458963711233      1.09746749524813      6.72557697458828
  Mo  -2.97057224553342      2.27738196212853      5.36403800631664
  N   -4.62162054638356      2.57150237072847      6.64820224061527
  C   -4.42648003093199      3.64888622629432      7.62334427760451
  C   -2.98632561634270      3.62194300009111      8.08745545319238
  N   -2.05278522118049      3.64748876477010      6.90924272932847
  C   -0.71208446969991      3.09490961211911      7.28910771741775
  C   -0.82990412755581      1.59429548721854      7.60152581791486
  C   -1.94761200512765      5.05257135690903      6.36119693521463
  C   -2.20501909759202      5.06572875319840      4.85579946534551
  N   -3.31837201191583      4.16039678189053      4.58273677480561
  H   0.13244983141597      1.09000660330011      7.42453037923369
  H   -1.10948079118112      1.41501172381222      8.65101191238989
  H   -0.04790970858540      3.25185131106732      6.42973737841383
  H   -0.30656188014940      3.64975062387014      8.14919564374730
  H   -2.44073928463358      6.08584784238294      4.51954652118526
  H   -1.31962042881249      4.70936889202110      4.30747436920288
  H   -2.71554413151355      5.65755710977935      6.85897913389265
  H   -0.96537842334052      5.47313105039234      6.61780477942531
  H   -5.10518012693445      3.52194817462448      8.47893640395261
  H   -4.68552652724823      4.61806191110370      7.16314418674994
  H   -2.80961107393384      2.69335047549017      8.64242471118703
  H   -2.75346502286718      4.46987440373750      8.74946120335640
  C   -2.33390108533560     -0.07985363772812      6.39540827091421
  N   -3.33855581869961      0.19260763044803      5.53122827505396
  C   -4.03499901254772      0.06174883770452      4.38584838639423
  O   -4.25972427338544      1.23147232585575      3.89053638141068
  C   -4.51083850384897     -1.17506428641892      3.79261422593266
  C   -5.16377902876425     -1.14724133022587      2.54763774497618
  C   -5.61398706713354     -2.33793220036358      1.98777359469470
  C   -5.42276840078155     -3.55324991534986      2.65226520999544
  C   -4.77437148096156     -3.56610360516845      3.89133874250381
  Br  -4.52134859145245     -5.21423753121817      4.80187827314254
  C   -4.31612238420890     -2.39031330415969      4.47240840512921
  C   -4.53761995538297      4.65782307650714      4.26246675862286
  N   -4.82699980925096      5.92105052692904      4.27100780415813
  C   -6.07590374981580      6.32753311416748      3.79284011825702
  O   -6.42742979888655      6.10817043078959      2.63561341222295
  C   -6.93178366929354      7.06924317060074      4.76501975887826
  C   -8.12787555234214      7.65138454735886      4.32296490169926
  C   -8.97052552057377      8.28301070067853      5.23416066757821
  C   -8.64493243869931      8.32536772246192      6.59371778008203
  C   -7.45749403848863      7.73005099235624      7.02029197967616
  Br  -7.01930242087622      7.73197956867401      8.87995001337652
  C   -6.58961584175110      7.11667727364429      6.12376122911918
  C   -5.87218399006329      2.09204232162923      6.52435787890165
  N   -6.88829468380736      2.59713512028782      7.17228724057101
  C   -8.12002961130590      1.95395692944707      7.01152055435866
  O   -8.21988001673986      0.73636435103409      6.83468723189051
  C   -9.30580061486714      2.85134037550333      7.11206071941514
  C   -9.17349642418240      4.21574926796434      7.41241456903741
  C   -10.30513024654925      5.02769161587035      7.46684213006680
  C   -11.57281966190349      4.49456743664136      7.22581695406810
  C   -11.68974765778820      3.13289464581525      6.93091660090474
  Br  -13.41885686631802      2.40093946788867      6.59722946776419
  C   -10.57603774050166      2.30419579653916      6.87265293181669
  H   -1.99433547361759     -1.06384595503554      6.74139982346179
  H   -5.30721650265602     -0.19576664178559      2.03646365520232
  H   -6.12219485613202     -2.33031567274253      1.02315310281309
  H   -5.77832598184947     -4.48531124451015      2.21310752328999
  H   -3.83252719086092     -2.41330449402688      5.44840702728337
  H   -5.29180514106173      3.89592168615205      4.01441364092732
  H   -8.38120923108460      7.59427061409645      3.26414655331361
  H   -9.89817675055442      8.74483138055800      4.89343113284708
  H   -9.30690113404782      8.81134530378141      7.31036558940911
  H   -5.65806571308800      6.66943063342868      6.46696153375541
  H   -6.00996101733673      1.27022493548147      5.80785641998485
  H   -8.18467842824121      4.62776609915552      7.60908142590579
  H   -10.20513357215625      6.08760777761246      7.70290244231042
  H   -12.46079418180453      5.12516081033912      7.26769742737185
  H   -10.66607477466058      1.24308390451330      6.64259115522754
  N   -1.51760667943439      2.05612695355753      4.22117046360453
  N   -0.67958945581531      1.72990903004802      3.41643360394720
  H   0.15236455807006      2.34649506103396      3.32493386164889
