112
Coordinates from ORCA-job /scratch/magstr/orcajob__5661764-NNwC/orca
  N   -3.33342540295803     -3.87973623148216      2.30356328215994
  C   -3.36901850601244     -4.91501866839604      1.26420769004583
  C   -2.97233315261771     -6.25658610384499      1.85081072611992
  N   -3.77500957804894     -6.50532379129700      3.06235337676872
  C   -5.11844516929960     -7.04385640686507      2.76851429120360
  C   -6.07306394564579     -6.52433690719179      3.82902769987872
  N   -6.05283973690995     -5.04837258779291      3.84543451427100
  Mo  -4.18254342637252     -4.37225967547403      4.03875885875540
  N   -3.10409352740035     -5.37097679909441      5.45025650601290
  C   -2.21276441682785     -6.40319821205846      4.91213365656687
  C   -3.04459727755622     -7.33148129767506      4.04589668311913
  H   -1.73458228455176     -6.99703513308486      5.70084176056736
  H   -1.38880263136211     -5.96651711625960      4.31285788203739
  H   -3.77863596003875     -7.84420100998991      4.68275100539589
  H   -2.43619139732247     -8.09636996698752      3.53076839024161
  H   -7.08204343110429     -6.91216163785605      3.65068614417094
  H   -5.76533128078533     -6.93015847524017      4.80937019827184
  H   -5.42851246843675     -6.67802296586423      1.78143620140037
  H   -5.09704389040878     -8.14779768609653      2.73529230254199
  H   -2.68684881291076     -4.69288227472730      0.43893586443514
  H   -4.37892130866864     -4.98053128863791      0.81778222237653
  H   -1.91556154189904     -6.21065939689185      2.15456017053037
  H   -3.08748368258410     -7.08105553594882      1.12447822435049
  C   1.37978911112811     -1.53839371920582      2.31707853725115
  N   0.14217987624632     -0.82577256263719      2.62227350027457
  C   -0.65777002213966     -1.46952936910720      3.67355324753098
  C   -1.38473000303663     -2.74211182412279      3.22350171510886
  C   -2.47029137644378     -2.65179004724781      2.10957793102098
  C   -1.76024007877570     -2.59630291263169      0.73827543412149
  C   -2.65284852552065     -2.29193189179965     -0.47021497316377
  C   -3.49684058014020     -1.03710107841020     -0.24305619170892
  C   -4.26375521686013     -1.15014789192573      1.07281058668217
  C   -3.30560742828423     -1.36279755624623      2.24144407872680
  C   -10.32079142264359     -6.42718706733223      5.69199319858873
  N   -8.88760822556419     -6.69399202268081      5.57259130785783
  C   -8.03612383843075     -5.60438148752249      6.07802143591056
  C   -8.01142608383186     -4.33211678751602      5.22202633773564
  C   -7.39386742700473     -4.37759248820227      3.79559349384029
  C   -8.38294103917668     -5.08268120066301      2.83695905647994
  C   -7.94222436707314     -5.11082995676543      1.36937069488457
  C   -7.27311383503778     -3.79077299021221      0.94458622741150
  C   -7.72803668557842     -2.65720672119564      1.85852416469577
  C   -7.25759632532168     -2.90205131000076      3.29689771628736
  C   -3.39108503695708     -0.51913907907546      8.59605488796067
  N   -3.00693461311131     -1.50202471359057      7.55016107333718
  C   -2.27436471061887     -2.69665429242492      8.08071256259875
  C   -2.05495017179140     -3.73752564498272      6.98150432179320
  C   -2.99513267969110     -4.98737986695893      6.88478436054181
  C   -2.36932661270216     -6.11872154946637      7.73058487329624
  C   -2.51880007668927     -5.90306751949605      9.23802304616956
  C   -3.99703349330333     -5.76030632555763      9.66522863069638
  C   -4.91665432160420     -5.75429259118455      8.44794525914189
  C   -4.43458946311691     -4.73099267375999      7.43080567910686
  H   1.98773699241808     -1.77156218507957      3.21700979497890
  H   1.99184718749519     -0.93783790102228      1.63072196965311
  H   1.15462900577698     -2.48796657629099      1.81194537032871
  H   0.37303918215887      0.12793779843023      2.90909645813506
  H   -0.02944561910494     -1.75173433370277      4.55438185685380
  H   -1.39674246564018     -0.73910060063583      4.03776247296513
  H   -0.65516785536858     -3.51252016568289      2.92441256147428
  H   -1.89794338137347     -3.14454401583585      4.11887439470056
  H   -1.15788864295041     -3.50530173522751      0.58039405577385
  H   -1.03445241455201     -1.77477301589500      0.84372524670483
  H   -2.01947386330771     -2.17593098436009     -1.36256623386145
  H   -3.33363574266309     -3.12906473910790     -0.68353355475064
  H   -4.18413106898296     -0.88260805568579     -1.08756620457968
  H   -2.83878910632104     -0.15321603655325     -0.20203537189067
  H   -4.86806285931855     -0.24596048183338      1.24626048694995
  H   -4.96720421325679     -1.99499996403483      1.02079077237343
  H   -3.84153375742770     -1.38946213550028      3.19975803594760
  H   -2.60460922568062     -0.51375190329566      2.27185525438934
  H   -10.62062678434162     -6.09400633854368      6.70073674815530
  H   -10.62462974890237     -5.64531927304548      4.98097356622386
  H   -10.88932798516188     -7.34405490023328      5.44517307895319
  H   -8.67025681798858     -7.54734323029281      6.09277245007191
  H   -8.34388459350733     -5.29441515188432      7.10075883682908
  H   -7.00786907899553     -5.99483007070145      6.16688756910411
  H   -7.44776746559000     -3.58172291327831      5.79979427023132
  H   -9.03281358047468     -3.91844404326043      5.13729142798514
  H   -8.64829040693058     -6.08205307951471      3.19886874170935
  H   -9.31439609026159     -4.50184023237628      2.91514012005245
  H   -8.83227795178971     -5.29904965089012      0.75026311033260
  H   -7.26676197851829     -5.95621576476880      1.18380673609396
  H   -7.49261265030131     -3.56548969910232     -0.10797030017701
  H   -6.18022805960128     -3.87879056591161      1.02475174225003
  H   -8.82481597387984     -2.57397615483509      1.81759005942512
  H   -7.33547571815029     -1.69050279951234      1.51278439795994
  H   -6.19778599990178     -2.60672563156878      3.37721598374191
  H   -7.81832892091106     -2.24019963342498      3.98104300767731
  H   -4.11843940775707     -0.98552049914242      9.26800953552980
  H   -3.85192438177891      0.35777100141496      8.12383173754361
  H   -2.50853189647197     -0.20374300916601      9.17748465957765
  H   -2.40035413718751     -1.05107165964361      6.86055484258461
  H   -2.86665388057960     -3.07748706712672      8.91906998632965
  H   -1.32115830401581     -2.33784609561139      8.49262141041936
  H   -2.12134313724733     -3.22279463253243      6.01494001781595
  H   -1.02495290980068     -4.10666382737989      7.05743969183656
  H   -1.30568178981332     -6.22156881441747      7.49011237283489
  H   -2.84670592461100     -7.07032991245857      7.46350734100940
  H   -2.05363476087759     -6.75216353138118      9.74958146471856
  H   -1.94002768224125     -5.02421428345565      9.54973586123284
  H   -4.28050771546251     -6.56185633509693     10.35308753239009
  H   -4.14239122140644     -4.81932420822255     10.21814271770727
  H   -5.94395711427792     -5.51517500615661      8.74804080208648
  H   -4.95619689997309     -6.75199113989581      7.98613265129463
  H   -4.50834156711784     -3.74612420567140      7.91323441132966
  H   -5.12056658442175     -4.71599937886982      6.57533396913516
  N   -4.39067700448984     -2.73509197597400      4.85841799344399
  N   -5.05948134130852     -2.11840719257554      5.91540890856756
  H   -5.43423085690648     -1.19565604699478      5.57924768298282
  H   -5.86785628819622     -2.67851619785634      6.28021350194991
  H   -3.99157603795282     -1.81461050664793      6.90719514951233
