122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655508-IRRZ/orca
  N   -3.29286812751948     -3.44157137385562      2.12985636206617
  C   -2.93666392916886     -4.38981961360466      1.07185535887295
  C   -2.66863223250266     -5.75335521377139      1.69542664905265
  N   -3.64831602626591     -6.03261100639281      2.78707097695214
  C   -4.97240957396002     -6.48380052689465      2.25215218808260
  C   -6.07521918494452     -6.18076458352460      3.26030726879697
  N   -5.85239915828420     -4.83774326411769      3.81342256103987
  Mo  -3.97628654229395     -4.21755574863314      3.82626956479701
  N   -2.73945838353875     -5.02816468391913      5.15916023841129
  C   -2.13139586288048     -6.28922440154393      4.72732880703119
  C   -3.09657829255559     -7.00138872350234      3.78258280640090
  H   -1.91417744774122     -6.96875714345869      5.56828844270327
  H   -1.16060427695320     -6.11866880491942      4.22591454121599
  H   -3.94797053877845     -7.38487643626401      4.36129457575321
  H   -2.61885045322166     -7.84591935136590      3.25274301255768
  H   -7.04311546759863     -6.27053735307196      2.73203356005618
  H   -6.09110179367141     -6.95453105393474      4.05500388302915
  H   -5.15358686970843     -5.90682288997009      1.33426394462743
  H   -4.93052490970443     -7.55643401929124      1.98940248585197
  H   -2.01979077260369     -4.09053597444721      0.53371955697477
  H   -3.73529922902182     -4.46805823323808      0.30476271063934
  H   -1.67593605759799     -5.74466615815491      2.16286948237492
  H   -2.69662551447519     -6.56009836463195      0.93985658290044
  C   -3.37549264470292     -1.64710072931123      0.36246047695482
  C   -3.13664979750355     -2.01823809658198      1.83035535158289
  C   -1.77153750351682     -1.46750696781544      2.35633923358934
  C   -0.57000898066392     -2.27068350202559      1.94973486691110
  C   -0.22557516367266     -3.42291587306863      2.67747106708561
  C   0.86375890439274     -4.20691498042195      2.30878937644137
  C   1.66364978087912     -3.86279476832138      1.20963572462175
  C   2.86457675394034     -4.70811893929011      0.84282071008450
  C   3.77579456298676     -5.01545594852781      2.01353537506965
  C   4.23531825853731     -3.98613489929394      2.84921171648359
  C   5.08114765459583     -4.26086223883436      3.92400861774409
  C   5.48252905628435     -5.57380485990083      4.18815443272888
  C   5.02769227412715     -6.60629546744991      3.36708341791851
  C   4.18017668997788     -6.32739213109291      2.29048240648702
  C   1.32907922406834     -2.71123249089189      0.48797036666030
  C   0.22650663030849     -1.93043211677780      0.84902902813999
  C   -7.83940964788460     -4.95197073092194      5.33078572041730
  C   -7.04715800794976     -4.14658132256781      4.29554131555625
  C   -7.94765217948275     -3.66486496567573      3.12183995704640
  C   -9.02427029059792     -2.70983303922183      3.55389328557296
  C   -10.35089762285096     -3.12523266107996      3.74829945181377
  C   -11.32577301882857     -2.23995394173643      4.20438572167967
  C   -11.01119782887734     -0.90159882949700      4.48152745431638
  C   -12.07257320631397      0.05177660848630      4.98439712148802
  C   -12.71739159173732     -0.38709661513893      6.28321319453137
  C   -14.10953362552132     -0.47302638133625      6.40449095357225
  C   -14.70300132648060     -0.86959028721619      7.60649614051077
  C   -13.90713407495026     -1.18763889090882      8.70795903317810
  C   -12.51517485482519     -1.10802154310072      8.59780971220526
  C   -11.92777251951536     -0.71411305719051      7.39593814488046
  C   -9.69014217076319     -0.48238424468347      4.28521194025981
  C   -8.71430084453056     -1.37017872176504      3.82868585185210
  C   -3.27109849610039     -5.70766179897262      7.50584654228938
  C   -2.66735218961106     -4.65230943716240      6.56843694473773
  C   -1.26407131744105     -4.15580493411691      7.03621034496159
  C   -0.12805615372719     -5.13846144216332      6.93020934351784
  C   0.02164934151971     -6.20546965307512      7.82856669546466
  C   1.05216293191372     -7.13529632936420      7.67514353774348
  C   1.97573201784956     -7.02865891271242      6.62782289444871
  C   3.09526734852774     -8.02506971353358      6.47154717294309
  C   4.46021278697758     -7.55679373920498      6.94764601950463
  C   5.59687274942154     -8.30680582715612      6.60919306369648
  C   6.86939207917942     -7.90720666827483      7.01563001432560
  C   7.02913026817928     -6.74337985596944      7.77474215336221
  C   5.90474768568204     -5.99396784263712      8.12385435995774
  C   4.63085845245490     -6.39844188867717      7.71361750989302
  C   1.85147950338580     -5.94280087214126      5.74946699882282
  C   0.82145685641263     -5.01676404246307      5.90410207700292
  H   -4.34985912658940     -2.02221232129870      0.01730116690132
  H   -2.59753873062035     -2.05640218805348     -0.29798938375756
  H   -3.37046291485196     -0.55365616042117      0.24656241761599
  H   -3.90425487381631     -1.48728339366216      2.42520334595984
  H   -1.66286563653522     -0.41913532276950      2.03342304944492
  H   -1.84008765554164     -1.47304223124033      3.45596905628152
  H   -0.83930552713627     -3.70365655277333      3.53661657133115
  H   1.11785968189246     -5.09077425961913      2.89905407369875
  H   3.43760096888450     -4.18899987589488      0.05662565470065
  H   2.52989180540538     -5.66050158119818      0.39867858050775
  H   3.91277289028319     -2.95983974622238      2.65888823997376
  H   5.42393085564883     -3.44728323484790      4.56624831340635
  H   6.13032635332845     -5.79322020446310      5.03780984143876
  H   5.32724807848237     -7.63577037367763      3.57252107331685
  H   3.82231042889337     -7.14123165056371      1.65450123641145
  H   1.94679211848356     -2.41419785303407     -0.36366814134725
  H   -0.00852789311852     -1.03137708624199      0.27340889745146
  H   -7.17944038181557     -5.26423030454034      6.15347445719281
  H   -8.66105099596678     -4.35386680237769      5.74962624793235
  H   -8.28122640846468     -5.85492388958600      4.88165630629080
  H   -6.67490255045288     -3.23185779061871      4.79438171000914
  H   -7.28066911028321     -3.17730981231573      2.39286239037452
  H   -8.39950481228951     -4.53846142960075      2.62525218765935
  H   -10.61971509651848     -4.16393182571186      3.53950176206416
  H   -12.34915483549009     -2.59196956014619      4.35674391233136
  H   -11.61854638100513      1.04720684028954      5.11978246018598
  H   -12.86030286291647      0.17094014527213      4.22283398208689
  H   -14.73636456926932     -0.22716829086322      5.54354966260556
  H   -15.79043547945493     -0.93333669708638      7.67955681475379
  H   -14.36707059468284     -1.49968351036718      9.64720136866790
  H   -11.88462203478778     -1.35750436978407      9.45346423303460
  H   -10.83947422770252     -0.66777299207340      7.31097062644956
  H   -9.42319375845185      0.55769479330870      4.49025406162448
  H   -7.69018066435220     -1.01760462407604      3.67909084586214
  H   -4.30242053631025     -5.92831308155627      7.19473272849977
  H   -2.70326744965640     -6.64851146037169      7.49644109701259
  H   -3.28976533888867     -5.34436833704394      8.54442308347535
  H   -3.31049456417487     -3.75398160442214      6.65427027338413
  H   -1.02153587411303     -3.26715284619943      6.43361154483151
  H   -1.36934617264334     -3.82083454093515      8.08219992675745
  H   -0.67444831656957     -6.31187836610237      8.66309756476851
  H   1.14461807405913     -7.96039817347671      8.38641557797956
  H   3.18786607055468     -8.30789841068093      5.40967801378204
  H   2.83484048765933     -8.95111607892020      7.01141738412857
  H   5.47908704193683     -9.21161483373653      6.00685030878676
  H   7.74124436730992     -8.50100413873459      6.73410121194127
  H   8.02424664593226     -6.42388330491699      8.08887194090276
  H   6.01699658438212     -5.08327691289502      8.71549658848541
  H   3.75928484846359     -5.79793722067039      7.97910758105970
  H   2.57609227053561     -5.81528605959964      4.94080495776814
  H   0.74687169377463     -4.17693596018233      5.21048679372681
