126
Coordinates from ORCA-job /scratch/magstr/orcajob__5677966-3OfR/orca
  N   -3.36625060150140     -3.38102785663096      2.14828457766284
  C   -3.00257535362828     -4.30856652695063      1.07064272553767
  C   -2.69877992453874     -5.68244756089916      1.65368249412261
  N   -3.65412108122473     -6.01747415104240      2.74201077241457
  C   -4.96801593020435     -6.48382974320479      2.21585153759760
  C   -6.06414011231287     -6.22619085871984      3.24353586077021
  N   -5.88180242657879     -4.88353907597228      3.81821051779403
  Mo  -4.02019966628548     -4.19263037379040      3.85553588538476
  N   -2.74962551819135     -5.03885330135807      5.15862387874282
  C   -2.10955696711047     -6.25882349867368      4.65284735450791
  C   -3.06602818561317     -6.98361425598571      3.70852743350466
  H   -1.83094052819160     -6.95877689362548      5.45828989184763
  H   -1.16345252416067     -6.02809385108977      4.12806706667359
  H   -3.89645635872574     -7.40175967781125      4.29433119710620
  H   -2.56599860245342     -7.81017025717500      3.16760716511324
  H   -7.03669083727194     -6.33961744251569      2.72812144568437
  H   -6.04522034817717     -7.01225214848999      4.02629762242271
  H   -5.17764693426292     -5.89152401018914      1.31326615627241
  H   -4.91704817738321     -7.55068767661518      1.92613448333201
  H   -2.09734258291809     -3.98168955930645      0.52855577891766
  H   -3.80685981152193     -4.38673114139789      0.30860860014599
  H   -1.70015655703812     -5.66279785361661      2.10807381882687
  H   -2.70835792533873     -6.46164070601614      0.86671787272895
  C   -3.36154648267695     -1.57447947400353      0.37937443154865
  C   -3.19975563919121     -1.95668712022495      1.85603988639451
  C   -1.86417625090009     -1.40166539648529      2.44862567211254
  C   -0.64195564566371     -2.17936292185208      2.05595375439541
  C   -0.30247959146194     -3.34749510447633      2.76019525918232
  C   0.79714184471935     -4.11527892745106      2.38615136439277
  C   1.60949325833053     -3.74042199853844      1.30665545703964
  C   2.81109866059486     -4.57782218019460      0.92604914033601
  C   3.72508508365166     -4.90856187709475      2.08805111333996
  C   4.16067296384749     -3.90281473434115      2.96403676565850
  C   5.01493624530970     -4.19988089416571      4.02632076869015
  C   5.44888654098415     -5.51200025906950      4.23699630528307
  C   5.01736258043585     -6.52163174786945      3.37572810284210
  C   4.16133601909050     -6.22051583664314      2.31218103487335
  C   1.28236923811687     -2.56980218617752      0.61276799682832
  C   0.17122707145037     -1.80405117641318      0.97887891651816
  C   -7.93652545301993     -5.08202470748071      5.24031640403734
  C   -7.11830408501974     -4.23821794139455      4.25562438842002
  C   -7.98216826879293     -3.75266920068151      3.05364518528562
  C   -9.05063659034380     -2.78206374010015      3.46517189105551
  C   -10.38222666456262     -3.17862850470674      3.66816979432136
  C   -11.34365825230510     -2.27817317748232      4.12248841994769
  C   -11.01188235223806     -0.94141974678709      4.38949204844639
  C   -12.05666862755711      0.02481110888226      4.90571789417906
  C   -12.58869082268489     -0.36049558915511      6.27046312678149
  C   -13.92902240553011     -0.72342079629923      6.44880573897368
  C   -14.41055291517099     -1.09746502534373      7.70693253481229
  C   -13.55361504891656     -1.11155665182773      8.80823789060123
  C   -12.21245389357565     -0.75070219386970      8.64214279637942
  C   -11.73629877639473     -0.38154622694970      7.38462593461349
  C   -9.68719611388113     -0.53896558540278      4.18195382815974
  C   -8.72464372172263     -1.44267869483754      3.72848715866777
  C   -3.26436231801441     -5.93894198536439      7.43760430245309
  C   -2.68751149381175     -4.78986449342357      6.59779401234390
  C   -1.29469390190279     -4.30516161209378      7.11216954110767
  C   -0.14604739003732     -5.26814095735129      6.97355196551837
  C   0.01253550347807     -6.36016893444293      7.83953028870620
  C   1.05002814983231     -7.27686074965558      7.65845918713562
  C   1.97213729868278     -7.13151690804158      6.61455179732472
  C   3.09742594066140     -8.11629974469195      6.42698478498536
  C   4.46257423391645     -7.65025221161941      6.90425804575787
  C   5.60502031824461     -8.36678042066904      6.51638173014687
  C   6.87724755296869     -7.96869029320418      6.92533387746259
  C   7.03103763699792     -6.84001013494861      7.73682825518715
  C   5.90108085573475     -6.12386609844320      8.13469191931830
  C   4.62765334129393     -6.52657306905736      7.72153666163699
  C   1.83876168772340     -6.02108936540164      5.76850010411681
  C   0.80148617727122     -5.10819561721334      5.95077341318297
  H   -4.31125045399436     -1.95636956999438     -0.02192325068224
  H   -2.54456143748746     -1.96640724201955     -0.24245092811174
  H   -3.36359926766846     -0.47946823114055      0.27529458329047
  H   -3.99766560457268     -1.41611965973953      2.39912324519869
  H   -1.75810862212084     -0.34234982463718      2.16112926831879
  H   -1.96862082510659     -1.44431837857349      3.54474660848350
  H   -0.92723528462584     -3.65613329829918      3.60248649978321
  H   1.04495499949504     -5.01593539958570      2.95317031128115
  H   3.38423504392425     -4.04491848390973      0.14897784071588
  H   2.47597136141031     -5.52153372993717      0.46407691385237
  H   3.81315371844692     -2.87789543147810      2.81502409112288
  H   5.33910318619960     -3.40453536763691      4.70034126924416
  H   6.10339632952304     -5.74965874868987      5.07651394941700
  H   5.34091999718323     -7.55104839096358      3.54070513257435
  H   3.82091713139275     -7.01687606111788      1.64526653397328
  H   1.91015587105472     -2.24838253392398     -0.22246481944975
  H   -0.06042186023938     -0.89148990555377      0.42345080984015
  H   -7.30838227397341     -5.38694788702772      6.09037445911605
  H   -8.79589326541988     -4.51510013424284      5.62658290746954
  H   -8.32639500751685     -5.99233454150425      4.75981647015853
  H   -6.81286223003477     -3.31996079983282      4.78530027517915
  H   -7.28855864018627     -3.27263201683693      2.34432023501797
  H   -8.43166340720262     -4.62063973239893      2.54548344758470
  H   -10.66538992362629     -4.21513490181726      3.46769937976667
  H   -12.37073346175527     -2.61693643222215      4.28066746823555
  H   -11.61590203629236      1.03335156667321      4.95225351477083
  H   -12.89961121010164      0.07912940805532      4.19846796049394
  H   -14.60401139382397     -0.71223313026283      5.58936113140915
  H   -15.45890121883134     -1.37839252965238      7.82497734402181
  H   -13.92644372227662     -1.40278843246350      9.79171462477715
  H   -11.53488842453521     -0.75875407808753      9.49820872407559
  H   -10.68457191444726     -0.11267774224588      7.25856625528172
  H   -9.40797524098970      0.50067581229464      4.37312805469508
  H   -7.69810127519747     -1.10210317260034      3.56467014257994
  H   -4.29211029751500     -6.15098204232904      7.10893133776995
  H   -2.67833151922226     -6.86311378115014      7.33906699289621
  H   -3.28606398013272     -5.67473857154618      8.50603179389306
  H   -3.34990495888740     -3.92405057034042      6.77121713706877
  H   -1.05365738119170     -3.38323706985861      6.56015863210411
  H   -1.41695682395721     -4.02876204516031      8.17365871852885
  H   -0.68471103270122     -6.49726608758882      8.66873512087408
  H   1.14880906315359     -8.12309102075662      8.34356405818961
  H   3.18391373674213     -8.37459320238502      5.35844531563850
  H   2.84660435079505     -9.05602260376454      6.94754194386396
  H   5.49188885481226     -9.24360829953256      5.87313138068869
  H   7.75335756781332     -8.53573894085654      6.60457306607664
  H   8.02575225935460     -6.52137019110345      8.05312367807799
  H   6.00864154495586     -5.24029761872717      8.76696416520887
  H   3.75160515812875     -5.95093388896184      8.02485699480669
  H   2.56100573654957     -5.86518577780397      4.96282242481487
  H   0.71647878306605     -4.25048455148083      5.28029828303898
  N   -4.44599610403316     -2.24737635343827      5.05059140745402
  H   -5.21074297965491     -2.30516440167363      5.73385385885573
  H   -4.71351134305837     -1.50110888653532      4.40083652357549
  H   -3.63316181494622     -1.88949056849607      5.56016668547333
