125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655515-MxNr/orca
  N   -3.15163420355749     -3.40533232900540      1.92620011544898
  C   -2.76127567159586     -4.26460346495524      0.81059576191851
  C   -2.49973992065564     -5.65611674169508      1.33416696148628
  N   -3.51880618308431     -5.99165551126048      2.35722911676135
  C   -4.83076557964061     -6.33131020580138      1.75166786614338
  C   -5.92871611318939     -6.09157985635144      2.77207543949878
  N   -5.69985231793319     -4.80637200923473      3.43527722091366
  Mo  -3.90089740351675     -4.08340992169761      3.61157278724521
  N   -2.89270006534149     -5.21890557677665      4.82984729151170
  C   -2.12240490400227     -6.34978801152676      4.30198826081469
  C   -3.00197601768846     -7.04351336141672      3.27166557294969
  H   -1.83175381694604     -7.04816173443164      5.09642335771892
  H   -1.18548090069462     -5.99327117494760      3.84789887850193
  H   -3.85668759854875     -7.51551388298733      3.77376688552616
  H   -2.46107565389328     -7.81800665826181      2.70143643512341
  H   -6.90435516801386     -6.10427692659582      2.26014498752257
  H   -5.95194585879025     -6.90775076563190      3.51755554284800
  H   -4.97737253935423     -5.65965882148050      0.89525888940171
  H   -4.83630438488338     -7.37077976475441      1.38278352726734
  H   -1.84345248749244     -3.88749459107142      0.33396982589261
  H   -3.54845530126268     -4.26582421724963      0.03489149772363
  H   -1.51888655799289     -5.67151458085682      1.82642994238407
  H   -2.49478350857495     -6.40784893151458      0.52686826379883
  C   -3.32891764207660     -1.57414976002051      0.19900775152889
  C   -3.05495440939826     -1.94311991394954      1.65700772571166
  C   -1.69384163808696     -1.38927221010786      2.17299822667093
  C   -0.48818470352443     -2.18658362887920      1.75787227413969
  C   -0.06104537050095     -3.26910815964875      2.54193631791139
  C   1.01804986740514     -4.06151917024562      2.15774085681516
  C   1.72171159108197     -3.79251493140776      0.97535314091353
  C   2.88895164445214     -4.65788630773492      0.54616099750831
  C   3.77752389940594     -5.12246441209775      1.67823329951707
  C   4.40327145933231     -4.19090867177017      2.52142244234771
  C   5.23965059186146     -4.61246136127147      3.55479344000048
  C   5.46721890883207     -5.97639972748071      3.76433438874892
  C   4.84572722427880     -6.91200730172931      2.93617899350681
  C   4.00455435366642     -6.48510668751298      1.90393460558905
  C   1.31168887785398     -2.69940486239099      0.20118017113479
  C   0.22396234507350     -1.91042566528028      0.58313190237549
  C   -7.51337960567341     -5.16094325327954      5.11845358756768
  C   -6.87356974500213     -4.21165956413487      4.10491558338957
  C   -7.88919804152096     -3.67185006321563      3.06547931047191
  C   -8.89029568172123     -2.73638838814561      3.69016742091973
  C   -10.18090424879730     -3.16298904754591      4.03425978239416
  C   -11.08057997644981     -2.29879180178619      4.65527575253481
  C   -10.72337497966377     -0.97543050255618      4.95043359473470
  C   -11.70617577360762     -0.04463975891375      5.62872375868889
  C   -12.14492230733169     -0.54467705844743      6.98886794451705
  C   -13.45919542823105     -0.97211818718711      7.21154229541137
  C   -13.85444888380729     -1.45069612738963      8.46408149072103
  C   -12.93590303088165     -1.50646817697026      9.51320862066433
  C   -11.62052288281728     -1.08090625097098      9.30225339796806
  C   -11.22993638396389     -0.60670937003737      8.05028445760658
  C   -9.43637674325514     -0.54698543647709      4.60394709006468
  C   -8.53462183649403     -1.41355988909367      3.98395850886828
  C   -3.74903662860013     -6.58749533791570      6.75935510199041
  C   -3.24676447866232     -5.22867830985426      6.26996984720348
  C   -2.09527622698826     -4.64089516281641      7.13290897235449
  C   -0.76326181830001     -5.32500000771262      6.97991037268168
  C   -0.45089565568518     -6.50132941843678      7.67814026612640
  C   0.76001877910143     -7.16038744953823      7.46561711924886
  C   1.70145539272675     -6.66840397616979      6.55093925827962
  C   3.02821638397341     -7.36617186066873      6.35037783886745
  C   4.07290824094782     -6.92464798709972      7.35711003965958
  C   4.50656670662542     -7.79062079139253      8.36823999114381
  C   5.45922651173334     -7.37918152607271      9.30447050163223
  C   5.99266108724308     -6.09098731161124      9.24029487888814
  C   5.56726606402865     -5.21816979187620      8.23433153329926
  C   4.61499154566866     -5.63220547932518      7.30296817344432
  C   1.40085363646266     -5.48125701309927      5.87029959067124
  C   0.19324389940435     -4.81902765949737      6.08959783567573
  H   -4.29376071179804     -1.97696407647785     -0.13969231586191
  H   -2.54474010030181     -1.92524192719299     -0.48494435911469
  H   -3.37447207538900     -0.47944791898478      0.11770472939264
  H   -3.82961115966250     -1.45802164129816      2.26443206848528
  H   -1.60629125941874     -0.34563970824525      1.83329569498065
  H   -1.74531870727337     -1.36872152511767      3.27246211256397
  H   -0.58393921996212     -3.48973008412553      3.47488155860235
  H   1.33779333584430     -4.88808334208384      2.79617921528478
  H   3.48966931002718     -4.09745446354385     -0.18861270033829
  H   2.50581389431893     -5.54276937002486      0.01030062871625
  H   4.23040334699440     -3.12369022235716      2.36319988508774
  H   5.72254753627116     -3.87441053868453      4.19810861145220
  H   6.11897758570530     -6.30523518200881      4.57508758208981
  H   5.01583888236018     -7.97894245684009      3.09212563325736
  H   3.52352530089374     -7.22166071687079      1.25539215896704
  H   1.86011804681690     -2.45423139529014     -0.71158738864757
  H   -0.06508341365884     -1.05750445829566     -0.03566601053762
  H   -6.76671006026171     -5.51662945950358      5.84225963040668
  H   -8.30612046461038     -4.63727916842938      5.66928100295516
  H   -7.96973785806819     -6.03255259321416      4.62741407465102
  H   -6.50129847923846     -3.33889187087691      4.66076831541421
  H   -7.31733961812475     -3.14410736645761      2.28615223009830
  H   -8.41140654614679     -4.51270760862137      2.58407240462470
  H   -10.48553375335670     -4.18822434509820      3.80948312815035
  H   -12.07803268793668     -2.65677534446438      4.92074191477797
  H   -11.24507509299323      0.95026517327772      5.72788169764469
  H   -12.59504573143563      0.07894851158837      4.99008333105728
  H   -14.18292501514015     -0.92412853859624      6.39415972470461
  H   -14.88434315824590     -1.77695200489153      8.61990868910636
  H   -13.24270430072374     -1.87599440123865     10.49302668607616
  H   -10.89784946036951     -1.11591413854291     10.11975833866917
  H   -10.19963383987038     -0.27910741541542      7.88984122352756
  H   -9.14014116179995      0.48334875848403      4.81532457578383
  H   -7.53954673339752     -1.04956940707004      3.71126906627689
  H   -4.58001886793192     -6.94104832314551      6.13243590308752
  H   -2.96451772222372     -7.35539738890098      6.76587552241496
  H   -4.11944529400685     -6.48751226750360      7.78900135168045
  H   -4.08362646868182     -4.52248596476424      6.37841542616765
  H   -1.98912760796319     -3.57882317238241      6.86303173550379
  H   -2.42888554783261     -4.67580074754863      8.18228587789803
  H   -1.16068971251866     -6.90416239366558      8.40440410648998
  H   0.98425166338287     -8.07106886689105      8.02632737937508
  H   3.39283144855649     -7.15663737025703      5.33298087992361
  H   2.88882325444891     -8.45415555221775      6.43380359734979
  H   4.09585718220437     -8.80204466514335      8.41940506825919
  H   5.78672839989755     -8.06936596724378     10.08408858850772
  H   6.73821527517259     -5.76807666249046      9.96868779148680
  H   5.98195045653432     -4.21002942363831      8.17480173772669
  H   4.29019210682459     -4.94422630766534      6.51952187062136
  H   2.12646864982057     -5.06769735104674      5.16546594937889
  H   -0.01436495976450     -3.88788428560228      5.55773316169345
  N   -4.08661632655560     -2.44910227456929      4.66952735284692
  H   -4.93115811171501     -1.88293420093809      4.78724184495516
  H   -3.31730918116084     -1.99941479760135      5.17365583581588
