109
Coordinates from ORCA-job /scratch/magstr/orcajob__5658557-PPUz/orca
  N   -3.10546119902929     -3.87369221138874      2.50077496450544
  C   -3.32120209936891     -4.61202130227077      1.25204475072010
  C   -2.93068777585393     -6.05964425556209      1.48378666309453
  N   -3.67647845827848     -6.56956512899350      2.65577081368030
  C   -5.03485746821118     -7.01701947074111      2.27579104265305
  C   -5.95483094846888     -6.84278020871091      3.46291568532261
  N   -5.83735971547175     -5.47526267681971      3.99567236929938
  Mo  -3.93986389080695     -4.82296194048350      4.08528514829019
  N   -2.79342618959588     -6.02683722368766      5.20783066624385
  C   -1.99414098811485     -6.93760717932379      4.37403814622891
  C   -2.91773867325735     -7.61808108963375      3.38094434331877
  H   -1.49386678682506     -7.71687983599726      4.96543381751020
  H   -1.19065546671125     -6.39940947183560      3.83326358414575
  H   -3.63707558419916     -8.23760964415957      3.93419536939850
  H   -2.37546033388686     -8.26219875955367      2.66556635405037
  H   -6.97999290641461     -7.06692129868649      3.12810232828961
  H   -5.71540167797802     -7.59697717615204      4.23869466995557
  H   -5.38209130035494     -6.37601471747992      1.45369905575511
  H   -5.01234249022725     -8.06158565916008      1.91517223490304
  H   -2.71104631768721     -4.24268362744392      0.42007220785076
  H   -4.37209696489722     -4.54734774061125      0.91069557859870
  H   -1.85821965587272     -6.09837425435296      1.72022248913154
  H   -3.12027420037266     -6.69836862590175      0.60126516899623
  C   0.83658254778393      0.79555264848897      1.23781123969203
  C   -0.04101831647548     -0.36279809654085      1.71826792036304
  C   -0.98783920886608     -0.97769675109581      0.66277268996632
  C   -2.02443752338519      0.06609612205749      0.20624637125532
  C   -0.17303218634773     -1.38827467281384     -0.58163211972868
  C   -1.67840048055475     -2.30613961451440      1.12171776008178
  C   -2.43288750390517     -2.51116122826072      2.46472064693684
  C   -1.42676342836181     -2.50398948672647      3.62790173507976
  C   -3.50697793048429     -1.42718986304890      2.64970832091326
  C   -6.79893182422530     -2.45401038273445      0.62944994721147
  C   -6.88099343972380     -3.50438872052269      1.73727692362998
  C   -8.24483186015685     -3.64931031438410      2.44441974978871
  C   -8.67648039228390     -2.31232303977150      3.07470510555703
  C   -9.32589588290457     -4.04365050915669      1.41886851469143
  C   -8.22669273452942     -4.80861865204118      3.48365964797477
  C   -7.12994440262056     -4.99239972235155      4.57920639988453
  C   -7.66745257090274     -6.04464847913255      5.57962652615937
  C   -6.93539429062410     -3.70580906286593      5.37364118539765
  C   -0.79361281155410     -2.64361663989304      9.82857150883477
  C   -1.37638364366245     -3.40575830539568      8.63695954637373
  C   -0.51283420915669     -4.55848496866208      8.06565797604158
  C   -0.29694173218003     -5.64786367713686      9.12572525732298
  C   0.86591620397118     -4.00639065223059      7.65576841221633
  C   -1.14433584082970     -5.09957837248128      6.75073467562555
  C   -2.41825762833672     -5.99135827427789      6.65947723037165
  C   -3.62140170729552     -5.46548484071152      7.45237101706322
  C   -2.16051024448574     -7.42466363217026      7.17827324477212
  H   0.23758691922880      1.62327292225113      0.83126142638586
  H   1.42317903396629      1.19719266463817      2.07673591804222
  H   1.54844999504559      0.48331308312874      0.46097435041926
  H   0.60720355132127     -1.15993025163623      2.11772129639287
  H   -0.64663934555565     -0.00202993718086      2.56360014590151
  H   -2.76545634974279     -0.39217767618443     -0.46635250972755
  H   -2.56632360139483      0.51452922736311      1.04775736507359
  H   -1.53662273044117      0.88010335708934     -0.34886123973127
  H   0.64741477561470     -2.07082791504946     -0.31094315637365
  H   0.25988987448687     -0.51371117976180     -1.08623343507995
  H   -0.81678777372333     -1.90553250659403     -1.30966937264183
  H   -2.38880695592356     -2.50158296541209      0.30491919012711
  H   -0.91263928518955     -3.10021924037768      1.06765219476330
  H   -1.00059877119326     -1.50976417818992      3.79961438693247
  H   -0.60691191095934     -3.20688720396290      3.41934175399461
  H   -1.90686938469141     -2.81675567325380      4.55902923657075
  H   -4.15448308083723     -1.66876822910449      3.49766517873776
  H   -3.05456244396682     -0.44372162228219      2.84002537363109
  H   -4.13488328425312     -1.34992431068102      1.75098837646670
  H   -5.78706714416743     -2.43945237447732      0.19713505504302
  H   -7.50336285211545     -2.65238916879559     -0.19135710579651
  H   -7.00286746154118     -1.44255587324056      1.00964491875010
  H   -6.11172847063395     -3.28560207548208      2.49256166678454
  H   -6.61147227320465     -4.48891770330687      1.31982101219636
  H   -8.93118020666678     -1.58118862835235      2.29364877206163
  H   -9.57175769788791     -2.45280344969004      3.69941903272826
  H   -7.89314916611392     -1.86914604345908      3.70121412768566
  H   -10.28789683385113     -4.22643364721850      1.92238433793024
  H   -9.04563559703385     -4.96425446256633      0.88301468483601
  H   -9.48819965000859     -3.25104059810451      0.67453919324912
  H   -8.27812417128237     -5.74768755954693      2.90783450937002
  H   -9.18968027863805     -4.75618318762784      4.02102497621797
  H   -6.89129631142604     -6.27860200211280      6.32312071500000
  H   -7.97095975440995     -6.97923114674068      5.08805294805642
  H   -8.54488478575096     -5.64639364496142      6.10879468002758
  H   -7.91465813711852     -3.33666107461580      5.70887987660092
  H   -6.31865528000224     -3.88986073514940      6.26166878414338
  H   -6.45414242326315     -2.92221532646724      4.78138793349112
  H   -0.57306922893767     -3.30945750995871     10.67605868775909
  H   0.13285321434013     -2.11108696708208      9.57112638356221
  H   -1.51356412599879     -1.89209622188107     10.18381045198598
  H   -1.58135990893472     -2.69522758383330      7.81820686952254
  H   -2.35430296905771     -3.81066085687495      8.93048489694962
  H   0.22788188079733     -6.51597595911077      8.69990187676140
  H   -1.24682459753411     -5.99827047638000      9.55349429289649
  H   0.31625434823589     -5.26487871508696      9.95469624050725
  H   1.49186801351005     -4.80760326236400      7.23411748822158
  H   1.40309191313547     -3.58169132500550      8.51536030092293
  H   0.76416032023678     -3.21899485033070      6.89230139534333
  H   -0.35435164847035     -5.66489253428194      6.22478335326257
  H   -1.35038985826570     -4.21991121042344      6.12111204120419
  H   -3.46279395597026     -5.60981172222482      8.52982162936072
  H   -3.81088321369799     -4.40462198335793      7.28078606498550
  H   -4.51818880174045     -6.03387410241458      7.16259237321968
  H   -2.94834080234198     -8.10221109817677      6.81469246686359
  H   -1.18344961391397     -7.82686387100745      6.87791442029228
  H   -2.18910813742723     -7.44116452122060      8.27385843979989
  N   -4.05434001803259     -3.28723977299749      5.26947268080365
  N   -4.05942141262467     -2.36879043154579      5.96392316209482
