104
Coordinates from ORCA-job /scratch/magstr/orcajob__5658518-ir1w/orca
  N   -3.41915341783480     -4.04831812771454      2.08327848883036
  C   -3.16801413356313     -5.30934408491927      1.38249737351153
  C   -2.91972998277116     -6.40447202698269      2.40657425902213
  N   -3.99320793828899     -6.38885846494470      3.43030872876848
  C   -5.22638860284842     -7.05331949292949      2.94896573551661
  C   -6.42771718195423     -6.47978772856729      3.67628161349027
  N   -6.36312182334513     -5.01381998003774      3.69925078103062
  Mo  -4.52860097627131     -4.20579863258208      3.74744760878768
  N   -3.54327340138881     -4.59067385000576      5.42798615779541
  C   -2.77279469850695     -5.83468065526182      5.48518514474873
  C   -3.53133761448247     -6.92318455543818      4.73576491588393
  H   -2.61098050023005     -6.17130946178278      6.52241906913984
  H   -1.76652214652857     -5.70645856122951      5.04263846249028
  H   -4.42252613715379     -7.20816045261899      5.31296982099978
  H   -2.91627069639840     -7.82920322152536      4.58814921597013
  H   -7.33802427049690     -6.83059501505630      3.15932530695194
  H   -6.48773787096083     -6.88962940321167      4.70618387419354
  H   -5.31954041918067     -6.82992920821292      1.87688209122191
  H   -5.15474035263166     -8.14974492205178      3.07101414604375
  H   -2.27513880440671     -5.24613657974106      0.73929989864074
  H   -4.00752904780565     -5.58835272180718      0.71345106660855
  H   -1.97160529493187     -6.19726599065618      2.92198849325658
  H   -2.84938953401946     -7.40171675401130      1.93564576869224
  C   -1.27403248534729     -1.45707602726865      0.25091347963255
  C   -1.79955657475179     -2.85921504511694      0.55593786966058
  C   -3.14824590984015     -2.83266136162523      1.29795080062142
  C   -4.30953393155931     -2.48728872994572      0.34365783814769
  N   -5.36491118314724     -1.83135104414069      1.07934098357405
  C   -6.60450393663597     -1.56430321311803      0.57068656131568
  C   -6.98636478595141     -1.89895423089019     -0.74928309536636
  C   -8.28699243934129     -1.63942380137179     -1.18209205923931
  C   -9.23986725824713     -1.05213388768714     -0.34910341799434
  C   -8.85536336008728     -0.69351231715528      0.95469047624138
  S   -9.98033595000495      0.05378287635076      2.10847935531124
  C   -7.55845909850609     -0.92800257791443      1.40119063843802
  C   -9.82024407843204     -4.15379724388859      2.22548966421899
  C   -8.31792933954074     -4.42675781226799      2.29226269756224
  C   -7.71889870825505     -4.43400119838343      3.71262644806345
  C   -7.76385630333147     -3.03887503110952      4.31842160630741
  N   -7.37376517648868     -3.03943653300813      5.71204601417608
  C   -7.11478661881867     -1.90094461610134      6.42943531596173
  C   -7.30139167773773     -0.61101043547278      5.88092056043287
  C   -6.98200640352990      0.51529607947872      6.63968915329282
  C   -6.47802892887512      0.41282955695510      7.93605303076441
  C   -6.30630860857230     -0.86894996878051      8.48648140255948
  S   -5.67397632174322     -1.12462495311994     10.12649555355623
  C   -6.62826662089372     -2.00765953375713      7.75213200341566
  C   -1.01450037180280     -3.76886763711844      7.30262980454966
  C   -2.24508298043740     -2.95704497299220      6.89450968654406
  C   -3.55016617300498     -3.72371918651055      6.61381522674708
  C   -4.07146136466686     -4.46650245881739      7.85558896453626
  N   -5.31207667929422     -5.13221687032116      7.51297591338270
  C   -5.97812043586133     -5.97528342838204      8.37844022259745
  C   -7.01566936142431     -6.80293398435988      7.89208259857988
  C   -7.72183679602078     -7.62133220307959      8.76472432812270
  C   -7.43229757670760     -7.64989629963065     10.13272387622656
  C   -6.40553156977471     -6.83111280175903     10.61908093798317
  S   -5.95597829214950     -6.78524662408917     12.33373057646989
  C   -5.67950564526641     -6.00196493438146      9.75352612288107
  H   -0.31663730029409     -1.50073998088005     -0.28764199699050
  H   -1.11394424767158     -0.88778053648925      1.17907364500925
  H   -1.97826272949088     -0.88550937000217     -0.37141839651757
  H   -1.07044786235207     -3.39281321110103      1.18720033367056
  H   -1.88742009368472     -3.43170597431673     -0.38266994403285
  H   -3.07838339876528     -2.00480777723784      2.02102164890591
  H   -3.94766126763504     -1.83134167733681     -0.47032928365628
  H   -4.66368559913387     -3.41993721394029     -0.13881122636022
  H   -5.24820413583326     -1.79810097765156      2.11137211074964
  H   -6.27193411521162     -2.37167173458555     -1.42272386931631
  H   -8.57016911609823     -1.91098274380491     -2.20156136614754
  H   -10.25458588076478     -0.86897781820702     -0.70325580678713
  H   -11.04704777583542      0.09272875504642      1.27806208665179
  H   -7.25905724413463     -0.63246547579717      2.40873586417522
  H   -10.18336787964861     -4.25696422873017      1.19301364081475
  H   -10.06997379799698     -3.13535408504849      2.55421126221170
  H   -10.38278854915206     -4.86196650217655      2.85442337054575
  H   -7.76958356918658     -3.68348085520008      1.69377727485317
  H   -8.10997992750536     -5.40690293549553      1.83378691000924
  H   -8.35516913669623     -5.08649733538876      4.34970060137752
  H   -8.78727816267820     -2.64162741302240      4.20611665254034
  H   -7.09979012740734     -2.38046698919388      3.73618739355347
  H   -7.11891131716440     -3.92368907059042      6.13999762854820
  H   -7.70129436309949     -0.49283183971540      4.87460513893345
  H   -7.13140937714556      1.50524132152095      6.20353329593010
  H   -6.23279956577120      1.30571123556040      8.51167501341905
  H   -5.41869326433929      0.17623632376076     10.39501864746060
  H   -6.49126732907463     -3.00264389704418      8.17895691135547
  H   -0.67062581169954     -4.42866680753931      6.49512897799782
  H   -1.20295553589616     -4.39103628282532      8.18994866943631
  H   -0.18181566589257     -3.09459241766159      7.55029212941043
  H   -2.47233119468459     -2.22184497651200      7.68569066938705
  H   -2.01622313681089     -2.37247470594799      5.98909621848106
  H   -4.30358822941527     -2.95238358463406      6.39509078447488
  H   -3.32739433106268     -5.18604621668311      8.24961336747494
  H   -4.24155712465535     -3.71981177466603      8.64962873756537
  H   -5.36098146920694     -5.36674857552619      6.51991847089833
  H   -7.26361058942932     -6.78305599075141      6.82826813026431
  H   -8.52153357215036     -8.25487499705134      8.37566473446808
  H   -7.99761780332270     -8.29452336367750     10.80602928553702
  H   -6.85938928903542     -7.70096923071201     12.75178590089881
  H   -4.88547533197963     -5.36921573673971     10.15104409737233
  N   -4.70494707207664     -2.14143550010320      3.93974414535102
  H   -3.83474179864177     -1.60105092037677      3.90084202777982
  H   -5.24276611821592     -1.74209056945319      4.71593795142353
