94
Coordinates from ORCA-job /scratch/magstr/orcajob__5655528-VVxa/orca
  N   -3.46308092772406     -3.49828469478435      2.11764835702204
  C   -3.02506350480015     -4.44837552716552      1.08903902089507
  C   -2.57595809318253     -5.73926853118314      1.74185523354609
  N   -3.51928910347220     -6.09225582479244      2.82697066183298
  C   -4.79028873851792     -6.65366411909235      2.31654585673090
  C   -5.86860966319635     -6.42832268458403      3.35799452378740
  N   -5.76384308737643     -5.06014505030852      3.87594695233850
  Mo  -4.05085095923251     -4.09706259576266      3.89084351495439
  N   -2.63664151307914     -4.84078161159240      5.03284742263074
  C   -1.98096154218049     -6.11479253078412      4.71462156249519
  C   -2.89465242275787     -6.95845639797445      3.85279230770977
  H   -1.75641342390581     -6.67325955401215      5.63434124554281
  H   -1.01586194667225     -5.92380963766474      4.21140927025443
  H   -3.69422859010493     -7.37010108718651      4.48119694481495
  H   -2.35511259827310     -7.79916360590001      3.38513937234424
  H   -6.85298067703990     -6.59286551118900      2.89449331001891
  H   -5.78467327052257     -7.15611479179491      4.18462760406185
  H   -5.05077857516452     -6.10730049176636      1.40001855614823
  H   -4.67472128409365     -7.72182518170500      2.06591625386483
  H   -2.17951521797737     -4.03339040636649      0.52104808749657
  H   -3.84099135599602     -4.62592685308650      0.36556450704507
  H   -1.58934835378685     -5.58225344365852      2.19658187743546
  H   -2.49444574021107     -6.56084406523668      1.01031483480668
  C   -3.76918445765848     -1.84283441100906      0.24965543073213
  C   -3.41752688748087     -2.06596903766233      1.72052732421731
  C   -2.06567877773473     -1.41408731561171      2.12869200447373
  C   -0.83672228589746     -2.13676833953904      1.65137833658639
  C   -0.24400244704025     -3.11996737155550      2.45894797493643
  C   0.86108148084200     -3.84368306076002      2.01777103585392
  C   1.41269712732060     -3.59961858109681      0.75233455751868
  C   2.61240411006524     -4.35762824943664      0.28503482617546
  Cl  4.15342557208952     -3.57256103377284      0.86588345879684
  C   0.83705393550932     -2.60617350725418     -0.05075770364298
  C   -0.27036338097169     -1.88404756438743      0.39307033353446
  C   -7.83911821047205     -5.35944808631917      5.25010849514920
  C   -7.05311029173417     -4.45959629257104      4.29737313706221
  C   -7.87978449607325     -4.04885165403113      3.05140765436428
  C   -9.07471892635721     -3.20844529516950      3.41486166310288
  C   -10.36178213759981     -3.75902084174559      3.47290376011398
  C   -11.45501220994934     -2.98414932284241      3.85771198795935
  C   -11.28922175832084     -1.63505220783029      4.19461572145053
  C   -12.45573109455219     -0.80947845790067      4.62834863687494
  Cl  -12.64184609021023     -0.84290012846714      6.44559555549664
  C   -10.00480778727408     -1.07716230910340      4.12776843543084
  C   -8.91456974380562     -1.85382475526187      3.74333368537520
  C   -0.64471464478893     -4.34880723418910      6.48926750387516
  C   -2.14716139246736     -4.16908336736179      6.26816254731499
  C   -2.99549878536124     -4.58047564013288      7.50941304014973
  C   -3.19316439739291     -6.06190308189424      7.66411551799545
  C   -2.23628269887753     -6.88254199700227      8.27969000722150
  C   -2.38003959831352     -8.27005886473806      8.28007374892247
  C   -3.49584612328152     -8.87316342760744      7.68484215077643
  C   -3.61622529320344    -10.35882379762608      7.61328063161540
  Cl  -3.04819950890547    -10.96528497417596      5.98086285700898
  C   -4.48764628202327     -8.05324123905493      7.12973768986591
  C   -4.33406177474263     -6.66988859064359      7.11768038456119
  H   -4.72614051906319     -2.32125069448395     -0.00152049422250
  H   -3.87418464097560     -0.76388900062696      0.07167028680465
  H   -2.99997969376473     -2.21912581308457     -0.43746407661745
  H   -4.18693453062823     -1.55951451806875      2.31762004380073
  H   -2.07435839382237     -0.37968401578699      1.75156194315949
  H   -2.04710476109075     -1.36171147599386      3.22794940149818
  H   -0.66623421733377     -3.31842812446794      3.44645824047444
  H   1.31571112333423     -4.59796100643885      2.66500028930213
  H   2.68608061317765     -4.38110087197939     -0.80753805607371
  H   2.63800267510793     -5.37874005663097      0.68142346352182
  H   1.26967635021134     -2.39057739524829     -1.03015135405414
  H   -0.69875760954494     -1.10732256784009     -0.24392911208953
  H   -8.73490789250376     -4.82650193329060      5.59499698440098
  H   -8.17242791493979     -6.28695009179305      4.76356344364735
  H   -7.23811956345693     -5.62187348224485      6.13139271512002
  H   -6.79985651574520     -3.53521975008371      4.83186578334701
  H   -7.21132720256126     -3.48540524119999      2.38159978307720
  H   -8.21128498359345     -4.94873005070546      2.51060449077018
  H   -10.50895649251033     -4.80924650715732      3.21062947867004
  H   -12.45106206628290     -3.43039490341675      3.89845405854988
  H   -12.33740522359696      0.24766108414428      4.36708657686230
  H   -13.40260740438535     -1.18864330343981      4.22948252064243
  H   -9.86321748220979     -0.02385840946372      4.37990622612619
  H   -7.92172099883597     -1.39962585670360      3.68555883958027
  H   -0.33366661259322     -3.71067034075107      7.32754953204955
  H   -0.07417873545275     -4.03919229879982      5.60261104247822
  H   -0.36673151093024     -5.38147062942318      6.73642779334057
  H   -2.32718271207792     -3.09603474215409      6.12388572256669
  H   -3.97853521451447     -4.09557346290048      7.41256626718968
  H   -2.50409636540927     -4.15507428667817      8.39802640854808
  H   -1.36180616308327     -6.43207471400327      8.75387168533630
  H   -1.61413876394228     -8.89589966180189      8.74327677177692
  H   -4.65230154422616    -10.70292447567132      7.70225651811658
  H   -2.98692639628239    -10.86726521470554      8.35096290836142
  H   -5.37911468972429     -8.50948878096384      6.69210078371096
  H   -5.10362077925499     -6.04103761075956      6.66558155630743
  N   -4.45596581382806     -2.60323090226438      4.68735882286675
  H   -4.70387150773513     -1.72830365777277      5.15862004240577
