126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658509-JqTp/orca
  N   -2.28797805045673     -3.77990351249627      2.42107128804250
  C   -2.33864963449744     -4.90528444382433      1.49046566345800
  C   -2.76305950653514     -6.17227915025135      2.21848003615258
  N   -3.92501035558927     -5.90209852601745      3.09093166345322
  C   -5.19325186104131     -5.73336811181829      2.35097424442034
  C   -6.15027868196645     -4.86419118095542      3.15696970315657
  N   -5.44064185105440     -3.70397611833910      3.69604215255671
  Mo  -3.49563039465310     -3.85884077920152      4.03166085823864
  N   -2.96010932912414     -5.07419921108754      5.52346260399878
  C   -2.98210164530715     -6.51435260310579      5.28466720605378
  C   -4.02460281399930     -6.84877595427549      4.22151946991924
  H   -3.25856287886651     -7.06642817963002      6.19952397072367
  H   -1.98692129674637     -6.90138052558264      4.98460649049991
  H   -5.02583343972222     -6.72979532910209      4.65938591916879
  H   -3.92544972802165     -7.89428985257415      3.87279249117967
  H   -6.98168447414152     -4.56262589327577      2.49561925400691
  H   -6.60763513039139     -5.46507330415192      3.96879703204355
  H   -4.95147427263406     -5.22389424309404      1.40801472021118
  H   -5.65044720541922     -6.71092835679483      2.10564225849967
  H   -1.35258208537931     -5.10095110736533      1.03042839255576
  H   -3.03105037563193     -4.70703937163583      0.64588897050969
  H   -1.94255801842814     -6.50313109644381      2.87048159247303
  H   -2.98289151571583     -6.98821976121369      1.50448519798178
  C   -0.50833792674862     -2.61968232327030      1.08381055302745
  C   -1.85009124442484     -2.51122091894413      1.81742158391638
  C   -2.95356231535998     -1.90029948639668      0.93278004940031
  C   -2.71486375566222     -0.43054570486547      0.55114791195027
  C   -3.94549681235544      0.18239741514572     -0.06149635554384
  C   -5.01059375975955      0.60117831709902      0.75045726240812
  C   -6.18510337365725      1.10404676173189      0.19783593521926
  C   -6.34251667055933      1.21214778660291     -1.19576595753011
  C   -7.59199389504763      1.74152981845869     -1.78457775577928
  C   -7.57060788607091      2.51019390755322     -2.96230686743525
  C   -8.74973373094962      3.00645242089073     -3.51749758532517
  C   -9.97970719882986      2.74672556601335     -2.90764366434574
  C   -10.01729626093822      1.98525085036697     -1.73674257434158
  C   -8.83787543813992      1.48868094052257     -1.18257390494698
  C   -5.27267527462319      0.79914329641077     -2.00786021586719
  C   -4.09942372188425      0.29338284572639     -1.44958262116773
  C   -7.12253449304615     -1.94632444986450      3.12304123553411
  C   -6.30622152001076     -2.63290738130995      4.22392093517342
  C   -7.22066250875981     -3.12937949905287      5.36000220096462
  C   -6.43282268317136     -3.72007190007046      6.53793630040851
  C   -7.23586708541361     -4.61213725450049      7.44598518627079
  C   -7.79883720831783     -5.80321241458137      6.96012546514525
  C   -8.54002931212719     -6.64393901003521      7.78434904772623
  C   -8.74900671046072     -6.33268097106377      9.13977540583620
  C   -9.53517971596847     -7.22994880416794     10.01310813581215
  C   -9.51852953923439     -8.62358076467565      9.82213453758416
  C   -10.27063686805553     -9.47037449410388     10.63601844543262
  C   -11.05702042357055     -8.94325851274566     11.66271889382169
  C   -11.07730859401164     -7.56226509686186     11.87035892513432
  C   -10.32583343834563     -6.71697553233330     11.05654268137409
  C   -8.17647262651222     -5.14820193598380      9.63104868098620
  C   -7.43619953212077     -4.30831661714338      8.79939710908259
  C   -0.94151695077248     -5.03558605427736      6.98890147648040
  C   -2.41478208379473     -4.64463920693696      6.81879729936567
  C   -3.30272347574761     -5.05283564985577      8.02887042439828
  C   -2.91926609638810     -6.29579844462441      8.85428404714142
  C   -3.94034682885894     -6.52828376799096      9.93754152887741
  C   -3.95964054268664     -5.72478920126053     11.08720496251235
  C   -4.95144414653759     -5.87186352447101     12.05280918059540
  C   -5.96530260542104     -6.83541830795349     11.90990870515333
  C   -7.03040682390200     -6.97288062399180     12.92621909941299
  C   -7.57598725660068     -8.22888650137585     13.24301910514500
  C   -8.56890906534847     -8.35539551998491     14.21256506328845
  C   -9.04339742852250     -7.22854362282817     14.88791538704596
  C   -8.51910351634059     -5.97160314334759     14.57742603237073
  C   -7.52483493746461     -5.84581175093396     13.60759708975834
  C   -5.93601208726437     -7.65088765483782     10.76706137442222
  C   -4.94545013971280     -7.49423808866795      9.79928402435864
  H   0.23677635222307     -3.12290716784219      1.71745710270535
  H   -0.12479502830757     -1.61874444697377      0.83966941132641
  H   -0.59488478697972     -3.17889338194406      0.13988343870656
  H   -1.70944280380802     -1.81730050573369      2.66103480479253
  H   -3.89705381416016     -1.96715203342750      1.49839151296097
  H   -3.08957579802323     -2.49727661669454      0.01502894127991
  H   -1.86844005297534     -0.34700946886006     -0.14755201085530
  H   -2.43936175353697      0.12676196921646      1.46303131103383
  H   -4.91219999989393      0.53281361828548      1.83712758885147
  H   -6.98658544779487      1.44239455682503      0.85732300719465
  H   -6.61362221483007      2.74166691774485     -3.43356079354798
  H   -8.70683340237149      3.60791665745818     -4.42752142857138
  H   -10.90245787072250      3.13519551398792     -3.34174515120649
  H   -10.97305037134314      1.76856079279512     -1.25576360617308
  H   -8.88222213171668      0.87410934854452     -0.28149010391040
  H   -5.37147815641897      0.85144388932868     -3.09383981236740
  H   -3.28743212198163     -0.03177939966809     -2.10515054783118
  H   -7.88201100503066     -2.61642051332889      2.69227142518012
  H   -6.46732505024518     -1.59920196401631      2.31193898186212
  H   -7.65203038254016     -1.07399866602922      3.53490856985877
  H   -5.61053968627283     -1.89001167430530      4.64522621867529
  H   -7.92144621154918     -3.88161862188174      4.96150536835487
  H   -7.84573320737168     -2.29040975431723      5.70682251549317
  H   -5.97624044654194     -2.90700734442739      7.12317181170895
  H   -5.59096141815659     -4.29755687496992      6.11808878163582
  H   -7.65944196655296     -6.07393875275718      5.90987485485730
  H   -8.98445440335612     -7.54944197815716      7.36667393278139
  H   -8.89153297263573     -9.04921886552828      9.03633540844180
  H   -10.23572123029101    -10.54920641075102     10.47191099873040
  H   -11.64432682665750     -9.60476197921675     12.30180610917144
  H   -11.68232952602701     -7.13908572716717     12.67393979210972
  H   -10.36461471373106     -5.63855967510178     11.21808767216359
  H   -8.28114709526510     -4.90128946563621     10.68912716076675
  H   -6.98650486089880     -3.40203095120673      9.21251442653718
  H   -0.35430549194069     -4.64484839258325      6.14490830293626
  H   -0.53162122057602     -4.61302976221771      7.91888756966612
  H   -0.79983006502194     -6.12558987599010      7.02752697854702
  H   -2.44761251676382     -3.54689560216640      6.78299154880575
  H   -3.33355421360235     -4.20053828941255      8.72746549147162
  H   -4.33481475677587     -5.17556002077111      7.66983647613747
  H   -1.92467431609946     -6.15095707320772      9.30503988552710
  H   -2.85216887752908     -7.19123585050434      8.21875643345321
  H   -3.17935860052317     -4.97210537999113     11.22788923405668
  H   -4.92842111486945     -5.24557726328589     12.94674279713953
  H   -7.20198943234893     -9.11866513262714     12.73379580956355
  H   -8.97575708620831     -9.34179358538074     14.44210718931633
  H   -9.82190855282852     -7.32837717692749     15.64621711298116
  H   -8.89166286692661     -5.08159098750059     15.08835481292382
  H   -7.13647420815820     -4.85654378324258     13.35785381697608
  H   -6.72573764762800     -8.38806664833555     10.61415561532783
  H   -4.96240995691887     -8.12382772457853      8.90583698890471
  N   -3.08791274802888     -2.20246066568179      4.73497188377674
  N   -2.03444513913728     -1.57054687524313      5.29633021457541
  H   -1.09879863718563     -1.94003962630095      5.07444376290222
  H   -2.07202509033667     -0.55111548726865      5.24830242273371
