113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668102-KRAA/orca
  N   -2.64774261449878     -3.54474310963892      2.62693344448688
  C   -1.89963886423581     -4.50371310160298      1.78899957859568
  C   -2.18865395815680     -5.94272960630293      2.17292983803997
  N   -3.61153184718805     -6.05605650614567      2.55183352053913
  C   -4.52704730046919     -5.89489607000310      1.41084113705776
  C   -5.89985333327769     -5.52420673284495      1.92991233790887
  N   -5.81664434149392     -4.60598266336938      3.08128899390172
  Mo  -4.00251365660396     -4.30966503888472      3.87720548743059
  N   -3.11798286268087     -5.65361398186243      5.08392381695827
  C   -3.19861770955694     -7.06826874246748      4.71757163488771
  C   -3.90859963142920     -7.23575080947976      3.38408015091576
  H   -3.73773055893419     -7.64804302515414      5.48713234141486
  H   -2.18491528046077     -7.49931143177486      4.66630509671155
  H   -4.99595811474195     -7.26889647629742      3.53243498251599
  H   -3.60005546545011     -8.16858605512875      2.88208561199288
  H   -6.44578493966112     -5.05644270253036      1.09684133782954
  H   -6.47155450114178     -6.43010519575767      2.19827337611956
  H   -4.13481876916536     -5.08034094694915      0.78855645474410
  H   -4.56566122839220     -6.81019343762765      0.79529727018186
  H   -0.81389413859773     -4.34803034697164      1.88878663169060
  H   -2.13925116547647     -4.33796966363703      0.72521044467262
  H   -1.58781230901490     -6.22719028443896      3.04392373625976
  H   -1.94125135438074     -6.62991268419305      1.34599403464355
  C   -2.56226980473690     -2.14423579031998      2.06822786293321
  C   -1.10015523617717     -1.84070467025105      1.65923220097472
  C   -0.05862910084712     -1.99583762376247      2.76689827838613
  C   1.37126875958871     -1.93872420685316      2.22267288926281
  C   2.40981204551158     -2.52015335871871      3.16177371118512
  Cl  2.21426693450805     -4.32237064556954      3.31570518301385
  C   -3.02905829222494     -1.10625921036690      3.09931480284681
  C   -3.09940639155432      0.31888100251412      2.54113305705982
  C   -4.02717708281129      0.38206680864205      1.32546257466416
  C   -3.61131841802355     -0.63205542326868      0.25833855749063
  C   -3.50013250321779     -2.04669377457201      0.83759054080244
  C   -7.19431945348345     -4.29723924939440      3.62229961406388
  C   -7.67181984379442     -5.50745587262044      4.46701785208273
  C   -6.84592575055173     -5.79112994025864      5.71727547647893
  C   -7.01473016189531     -7.20555233708744      6.28099895731485
  C   -8.42514073406899     -7.46670943461141      6.78037519177265
  Cl  -8.56407541216795     -9.11609674364360      7.50209820105412
  C   -7.23627076437469     -3.02507066862554      4.48604045994612
  C   -6.95237386616861     -1.74133489251493      3.70559149616594
  C   -7.90605111093655     -1.56815461909815      2.52264834919357
  C   -7.90937212796953     -2.82135295812617      1.64470416237460
  C   -8.21784176299510     -4.06323713693598      2.48071020650263
  C   -2.53056965942160     -5.37151642127547      6.44333956479299
  C   -3.72736237013407     -5.28568188602529      7.42312653103912
  C   -3.42867763524911     -4.82828077903787      8.84919902991647
  C   -4.70533005110832     -4.79322037983257      9.69012659769181
  C   -4.49103849634967     -4.34636235951768     11.12395437048729
  Cl  -3.45966432637816     -5.51386523360098     12.05073109424952
  C   -1.56084873034507     -6.49009813915058      6.89263795879816
  C   -0.19968180026941     -6.37495587671189      6.20653030990198
  C   0.54586092913971     -5.12273463766869      6.71266090804358
  C   -0.44250425855299     -4.05123835232652      7.20202564849554
  C   -1.72672867349594     -4.03510397149945      6.36805162471016
  H   -0.82041629223586     -2.47385316032242      0.80293588234610
  H   -1.06846800079158     -0.81389563503890      1.26991102910953
  H   -0.20617753772396     -2.95561857499816      3.28679426532588
  H   -0.18883658378084     -1.21538589976995      3.53328006162293
  H   1.43122570989344     -2.47452687945950      1.26139259452225
  H   1.65966712752889     -0.89402268139183      2.01407261861163
  H   2.32740582183815     -2.12254508489727      4.18127466459577
  H   3.43052345979059     -2.36937678645630      2.79363519934073
  H   -4.04623577214383     -1.37783566495891      3.40784502647118
  H   -2.39467236265601     -1.15608770080657      3.99599496912879
  H   -2.09638611713245      0.68649078585325      2.27011929528862
  H   -3.46476496607714      0.99151474666562      3.33247360653748
  H   -4.04169847583986      1.39811968776824      0.90337055241846
  H   -5.05925712252792      0.16007032295809      1.65107576049733
  H   -2.64904981841960     -0.32971824682188     -0.18581230373423
  H   -4.34027085550407     -0.63925679018878     -0.56664832149652
  H   -3.16685936528734     -2.74153046468577      0.05088061744640
  H   -4.49977586990183     -2.38270382030343      1.16466494428978
  H   -8.72114759153453     -5.31393687852611      4.74042916529329
  H   -7.69277208963990     -6.40590708517858      3.82651268189909
  H   -7.06904635480432     -5.05443502828075      6.50562417043974
  H   -5.77610126335001     -5.65834537921672      5.47655201304282
  H   -6.31157801168341     -7.35516291712494      7.11485705223511
  H   -6.76127490081964     -7.95013558611696      5.50814372002646
  H   -9.16819263859996     -7.42488061786881      5.97514427617406
  H   -8.71101931352022     -6.75799148537581      7.56839139933816
  H   -6.57856742335651     -3.12265434827676      5.35535364603273
  H   -8.25957235929842     -2.97384772030929      4.89440108867877
  H   -7.01789605242807     -0.87382022614653      4.38170211442456
  H   -5.92207436929080     -1.76851749655935      3.31853460191540
  H   -7.62424240430771     -0.68301280244843      1.93158714410335
  H   -8.92840527285193     -1.38728691269854      2.89742580791298
  H   -6.92310186545723     -2.92893016796847      1.15974478754579
  H   -8.64871800677798     -2.72275603171500      0.83552359009249
  H   -8.33028930885376     -4.95886023676473      1.85455900332224
  H   -9.19417977044818     -3.92338176410739      2.97277309452213
  H   -4.46847675774826     -4.59859710627739      6.99039661197614
  H   -4.20537937998474     -6.28019127407528      7.45886792586902
  H   -2.70381282781479     -5.49737287781597      9.33612493203932
  H   -2.97946006570894     -3.82203626070751      8.83889930369711
  H   -5.18943144647674     -5.78367561522367      9.68563716524428
  H   -5.42580780744889     -4.08739186989399      9.23836919924273
  H   -3.97339734033529     -3.38013039786067     11.17764127828904
  H   -5.43622921920442     -4.28179117304954     11.67478423682878
  H   -2.01170415570187     -7.48249887100220      6.76982562626430
  H   -1.41640850678171     -6.37851673755827      7.97713423176351
  H   -0.34101735199591     -6.30525179631035      5.11419927692402
  H   0.39813820355510     -7.28083529142492      6.38094624287666
  H   1.22443897241779     -5.39673055348647      7.53453825368546
  H   1.17473562634046     -4.71824698340770      5.90662921991303
  H   0.02358591627063     -3.05526532077872      7.15951793507212
  H   -0.69372356225530     -4.22130366321466      8.25981278169453
  H   -2.36290139265351     -3.19928776666096      6.68248729739033
  H   -1.45646355600230     -3.85069613106015      5.31551700479038
  N   -4.27037234002747     -2.93178187232962      5.05787116682363
  N   -4.37904447702962     -2.10615886907788      5.95638924109838
  H   -4.72448941785562     -1.18278764209284      5.61928472599969
