123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655504-LiBR/orca
  N   -2.99826028943003     -3.11124584833562      2.46231246392615
  C   -3.39540227610585     -3.67620468002649      1.17534224616982
  C   -3.08676731936247     -5.16194028426767      1.19259970930023
  N   -3.73302957907726     -5.75222744268638      2.38374099888142
  C   -5.10982954236113     -6.18280673000263      2.09893233248652
  C   -5.91055994695548     -6.19655563363702      3.38374857307204
  N   -5.82465146513181     -4.90402953113016      4.07842634811263
  Mo  -3.97430661311864     -4.03484421266687      4.01806514958886
  N   -2.62467486615660     -5.26612700715583      4.84663184654636
  C   -1.91939322153115     -6.17284637193683      3.93661939561076
  C   -2.91615600736056     -6.82003676937973      2.99145240872131
  H   -1.37782605833440     -6.96741471641793      4.47177027950879
  H   -1.16048825556247     -5.61862413943282      3.35073723648322
  H   -3.57966152566537     -7.47833526367975      3.56938056612145
  H   -2.42203452283574     -7.42790983828996      2.21037452941753
  H   -6.94663814357540     -6.44792921571685      3.11070308159947
  H   -5.56520852871562     -7.02130588942641      4.03860254074950
  H   -5.55205127751133     -5.44594639646646      1.41377217051493
  H   -5.12179431216020     -7.17153130375285      1.59883121933520
  H   -2.85766022351854     -3.21644822345991      0.33110646314579
  H   -4.47414590183877     -3.52235907947712      0.96255679187766
  H   -2.00113984418092     -5.29476467560531      1.28524647672277
  H   -3.42208466568904     -5.68165184761574      0.27549815489320
  C   -3.19088271279140     -0.75616974798939      1.70323586488419
  C   -2.28715059280045     -1.81597258725213      2.36378432293637
  C   -1.87937206269626     -1.31101344787951      3.75181545850507
  C   -0.98571051527403     -1.96415313175058      1.51967965178314
  C   0.05522633981039     -2.90495248471483      2.12315731382551
  C   1.12743113277494     -3.39858938654667      1.14721178149442
  C   0.59767242817861     -4.40806195684923      0.12348583066550
  C   1.64654842824214     -4.70544649289269     -0.96766389977920
  C   3.08842694109501     -4.60378940188934     -0.42721266414438
  C   3.14032778396101     -5.00545741924604      1.04810375100539
  C   2.30961594101131     -4.03437255289873      1.91237864959798
  C   -7.07271154614529     -3.23353209294193      5.46714897495394
  C   -7.16327473321981     -4.45352216961582      4.55316091560474
  C   -7.84193765217494     -5.56694281409795      5.38147234156610
  C   -8.07293035714385     -4.09495567967399      3.34023974541868
  C   -7.54238322404444     -2.95269435508765      2.47194553656610
  C   -8.18645587566710     -2.81673517250163      1.08343982250333
  C   -9.71410628995221     -2.69172462873336      1.11742241043505
  C   -10.26535612339915     -2.25838642870086     -0.25691513576481
  C   -9.41386735206397     -2.80372128362125     -1.42396990027663
  C   -8.76785267920893     -4.13768666672880     -1.04561855068870
  C   -7.77713343768495     -3.95532997361912      0.12170556808045
  C   -3.00167301901075     -4.43971685197732      7.14638718264415
  C   -2.36425298684359     -5.52959539369066      6.28398381077358
  C   -3.00133582254154     -6.87904317122024      6.67475310557645
  C   -0.84519907420495     -5.58189285948701      6.59765545850749
  C   -0.06025216482278     -4.32496662804637      6.22162938587371
  C   1.45649300159051     -4.52956650664973      6.14543051194409
  C   2.06531816970344     -5.03586572412480      7.46093364344465
  C   3.58209563197405     -5.22449189867546      7.35696972932494
  C   4.28188314058829     -3.94267085662671      6.89655619337664
  C   3.68098355908067     -3.42745937724004      5.58625906228096
  C   2.16668346135488     -3.24320443205761      5.70395381610974
  H   -4.12442242920354     -0.65917897854298      2.27678732300197
  H   -3.44697545686851     -1.03138115915470      0.66901086402551
  H   -2.69349756241281      0.22559226115300      1.67577600833151
  H   -1.15549230428445     -0.48886235038765      3.64261977236169
  H   -1.40962346752342     -2.10802037051491      4.34451739419400
  H   -2.73975704813689     -0.94056184817173      4.31654700915933
  H   -1.23877898224312     -2.29335149705079      0.49993336758904
  H   -0.55107476727523     -0.95674804588495      1.40383769467957
  H   -0.46389015427551     -3.77926063893768      2.55350625809981
  H   0.55366085572052     -2.40215114822235      2.96777737551295
  H   1.50713680407507     -2.52292340968517      0.58696785536551
  H   -0.33671396911864     -4.05252839856589     -0.33709100305507
  H   0.33841500618026     -5.33632244104779      0.66371922746946
  H   1.47196498934010     -5.71364472280513     -1.37630242459134
  H   1.51922588554038     -4.00430417881681     -1.80777640796810
  H   3.45397810834779     -3.56817628987641     -0.52743803102364
  H   3.76551788127572     -5.22875571660834     -1.02911979831501
  H   2.74524226878879     -6.03047679350699      1.15015074615406
  H   4.17967432873921     -5.04220843882121      1.40856028981053
  H   1.91385435495030     -4.56999581937652      2.79212226366634
  H   2.95116861190169     -3.23062598108088      2.30835468265769
  H   -6.44365577645446     -3.44482958263728      6.34227073028109
  H   -6.64943005932141     -2.37146126705921      4.94291543680759
  H   -8.08359690003392     -2.97402502859659      5.81551650964693
  H   -8.78862693564074     -5.19615026421319      5.80100661151656
  H   -7.18903037386599     -5.86548065952617      6.21550210911923
  H   -8.07470157844942     -6.46252066079590      4.78997494618950
  H   -9.07447548547840     -3.84468577795549      3.72745594085740
  H   -8.21198301499793     -4.99837215481537      2.72458047903899
  H   -7.67093269096805     -1.99675461987898      3.00509439962007
  H   -6.45293559278550     -3.08850521282645      2.34710064474602
  H   -7.79928998614334     -1.87227343988433      0.65864473875576
  H   -10.02292763639381     -1.97427607987266      1.89455052336417
  H   -10.14763065133570     -3.66303043155078      1.40868222205737
  H   -10.30003323997494     -1.15878240894841     -0.31333315447827
  H   -11.30545720499187     -2.60659220961611     -0.36004519295298
  H   -10.03223079964563     -2.90950619551914     -2.32824367765099
  H   -8.61838346430043     -2.08319202959661     -1.67789760332402
  H   -9.56139238981021     -4.84684384072628     -0.75501373235591
  H   -8.25739766213837     -4.58675375438263     -1.91128976992894
  H   -6.76775945446074     -3.74042052784218     -0.26729536672356
  H   -7.69701204868333     -4.90332229014597      0.67804291663209
  H   -2.82114580482779     -4.65934552212591      8.20889352063739
  H   -2.56832946022461     -3.45925046360298      6.91168026668531
  H   -4.08662504220101     -4.39515433128019      6.97340611041176
  H   -2.58702293097859     -7.70929122486346      6.08372744809321
  H   -2.82284212762907     -7.10515125821079      7.73720353468096
  H   -4.08685771340506     -6.83948493994396      6.50150052238599
  H   -0.74222951754677     -5.79109061179513      7.67450966118031
  H   -0.39668638838327     -6.45063190429043      6.08724533989995
  H   -0.27187326131743     -3.51466826684262      6.94069966589577
  H   -0.41696138256831     -3.96510954094203      5.24180175299908
  H   1.65008400018153     -5.30103377006087      5.37236708914012
  H   1.83886436786658     -4.30239242195035      8.25766791149207
  H   1.58943128114165     -5.98213792494115      7.76149323375891
  H   3.99135067699023     -5.55935434965742      8.32349079664239
  H   3.79307965873185     -6.02987926166518      6.63051967823323
  H   5.36373816321932     -4.11689798519716      6.78227474817358
  H   4.16813850047764     -3.16786331746773      7.67609555211880
  H   4.15955498421516     -2.48031315034216      5.28997174640085
  H   3.89303651244199     -4.15233762800036      4.77988697217808
  H   1.74916327968425     -2.89820711482119      4.74531951800250
  H   1.95042058483208     -2.44996104390147      6.44348631192234
  N   -4.32544487291486     -2.57356741811759      5.00804453809067
  N   -4.29922917235998     -1.67254147667065      5.99351389895783
  H   -5.08938391737369     -1.02224476535842      5.98676387095878
  H   -4.13368077719091     -2.05783323006069      6.93224646090120
