111
Coordinates from ORCA-job /scratch/magstr/orcajob__5658567-LOub/orca
  N   -3.30845146110154     -3.58194320558219      2.46715419071261
  C   -3.50436897296243     -4.35667124730418      1.24489239262323
  C   -3.00019453103260     -5.77413090881916      1.47339426413733
  N   -3.68100537130338     -6.31519175618316      2.67227670177069
  C   -4.97939589215306     -6.92522055862574      2.33464180413386
  C   -5.88412385582787     -6.84693323639516      3.54189612961589
  N   -5.98739958218077     -5.46675500557497      4.02803960817496
  Mo  -4.16643696262647     -4.50426919486971      4.07484510575988
  N   -2.80132084045284     -5.53034521846834      5.14238622623033
  C   -1.94185911867156     -6.42987872031962      4.35963753867520
  C   -2.80890739333722     -7.24375310972982      3.42144129403906
  H   -1.37148678646073     -7.12613213893315      4.99288336906699
  H   -1.19374554921423     -5.85151867004772      3.78337100244426
  H   -3.44901151885326     -7.90825322928194      4.01859277699672
  H   -2.21563347973630     -7.86474338695274      2.72508567704327
  H   -6.86336220845769     -7.25618719230225      3.24713494770412
  H   -5.50465477046765     -7.52518775228422      4.33428238933411
  H   -5.41913018755980     -6.34357914090485      1.51329532192085
  H   -4.83975194330271     -7.96798457515891      1.99069085862891
  H   -2.98772502511715     -3.94157932351994      0.37067881528519
  H   -4.57645123430737     -4.39273716662951      0.97525006917151
  H   -1.92203492574240     -5.72881177688522      1.68316936650144
  H   -3.16248607654602     -6.44370000988423      0.60719574677466
  C   1.26158225577284      0.47241666763526      1.37464216906154
  C   0.25471138945083     -0.61166257236733      1.76586803066664
  C   -0.85024113938757     -0.91891629514153      0.72943419114945
  C   -1.70779130125123      0.33429665428781      0.47622774674126
  C   -0.20059284111383     -1.30929305823009     -0.61417921029214
  C   -1.72386424024156     -2.15534929554415      1.11452022679107
  C   -2.40725213435694     -2.36287575658093      2.49040358928507
  C   -1.36174401777427     -2.61192481013940      3.59609239680469
  C   -3.27880571588771     -1.14993419919941      2.85350131018240
  C   -7.23101041224121     -2.77123453762179      0.44268834891413
  C   -7.22252347362291     -3.81243808477277      1.56202494331646
  C   -8.57409826737667     -4.08979804155786      2.25301972222756
  C   -9.18550898768362     -2.78649897623471      2.79861419374022
  C   -9.57162906908520     -4.66575252460127      1.22746693805166
  C   -8.42871581123678     -5.18728490609822      3.34753390112460
  C   -7.36622872884343     -5.15626288682516      4.49782592612747
  C   -7.80923483784807     -6.22869803352150      5.52588670993312
  C   -7.41112534706865     -3.82515298660421      5.23590498638813
  C   -0.03238239335357     -2.65593880973253      9.74664794878395
  C   -0.78128573937145     -3.26269476909411      8.55785759942075
  C   -0.31219488646414     -4.66489165685112      8.09172555741271
  C   -0.52481531270779     -5.70189560880637      9.20347268445377
  C   1.19377242630714     -4.60884612769569      7.76931641750051
  C   -1.00225001500444     -5.05607376506723      6.75016951427680
  C   -2.48405389727099     -5.52455432851649      6.60558906171667
  C   -3.45964686503186     -4.60056570287738      7.33076371403481
  C   -2.71609281601031     -6.95157336436232      7.15310908068650
  H   0.77026913131468      1.43565314412188      1.17520476035418
  H   1.97938169111053      0.63509957173802      2.19175333270254
  H   1.84057553514263      0.20084396713681      0.48055614792606
  H   0.80104804115901     -1.54499191864873      1.98101214235190
  H   -0.22363715265520     -0.31131826106379      2.70953916078931
  H   -2.56988450546649      0.09413862830422     -0.16437828773085
  H   -2.09041932816185      0.77499853605962      1.40482933869779
  H   -1.11797876183709      1.10516625210222     -0.04039519806802
  H   0.49248772974971     -2.15560003478336     -0.48934468280580
  H   0.35848168690493     -0.46994654528145     -1.05060119990559
  H   -0.97139748744449     -1.60784290774701     -1.34117500748136
  H   -2.51689079475375     -2.16716876508435      0.34999967951369
  H   -1.10107245655524     -3.04859363221509      0.93202850123589
  H   -0.95285638394677     -1.69151225372560      4.03069104594955
  H   -0.52620515681006     -3.21119853598219      3.20180622582220
  H   -1.82517438388773     -3.20232054019106      4.39607076851362
  H   -3.90259083173673     -1.41214653002819      3.71322222487714
  H   -2.66837556668865     -0.27442299118796      3.11619643811419
  H   -3.93959532121357     -0.88092824022120      2.01728355635715
  H   -6.23168195246846     -2.69743961996060     -0.01112428235865
  H   -7.93583430223229     -3.02745822338237     -0.36176367606693
  H   -7.49585563537692     -1.77079081678521      0.81417619886024
  H   -6.48651326662101     -3.51966926404993      2.32529596659010
  H   -6.85570804137448     -4.76944741287383      1.15374903142089
  H   -9.52395758515388     -2.14506494201770      1.97170210723088
  H   -10.06280217490425     -3.00221700865022      3.42772891108100
  H   -8.47461228330413     -2.20612644279318      3.39841053959878
  H   -10.52700655275220     -4.91677459272604      1.71382827233031
  H   -9.17657702406484     -5.58379575869814      0.76529546316516
  H   -9.78634710366931     -3.94405744969499      0.42674154086966
  H   -8.30172866938301     -6.14262449557667      2.81246076025980
  H   -9.41514266994819     -5.26655001394931      3.83743664176726
  H   -7.04079132054896     -6.33317003294970      6.30619259961433
  H   -7.97450767096230     -7.21388168915486      5.06786442282344
  H   -8.75220818601165     -5.92500099457103      6.00373891380354
  H   -8.45197505336214     -3.58069832968868      5.49195794541987
  H   -6.83016961428600     -3.88702117368992      6.16519387062545
  H   -6.99263794850605     -3.01186930474677      4.63759272480348
  H   -0.06462367254466     -3.31160703376045     10.62924459748715
  H   1.02325772182697     -2.45471270275579      9.51737348687080
  H   -0.49210520298076     -1.69934007721899     10.03486389332232
  H   -0.70588348772334     -2.57684844846490      7.69621502254652
  H   -1.84783812862023     -3.31190303871692      8.81429978289616
  H   -0.28554399650690     -6.71531697545442      8.84910984731165
  H   -1.56072635328637     -5.70617338729580      9.57065712066891
  H   0.12985675937483     -5.49068530246419     10.06154508476553
  H   1.54815999810483     -5.58814186454878      7.41382395707414
  H   1.78853228378488     -4.34087715571265      8.65363559943270
  H   1.39996676665054     -3.86808864842481      6.98074484020652
  H   -0.38036853773539     -5.85014125733307      6.30749771092252
  H   -0.89328901870433     -4.18715923729207      6.08111075305542
  H   -3.36412950341877     -4.72277082429557      8.41792010804213
  H   -3.27638450010934     -3.55190200342012      7.07472994302702
  H   -4.49109256761832     -4.84946321496166      7.04142290434242
  H   -3.70727396265750     -7.30102967143129      6.82853035585404
  H   -1.96357339797322     -7.67022775168500      6.79969560071734
  H   -2.69265560043139     -6.96869266916159      8.24938098912363
  N   -4.64975372528130     -3.04472289259955      5.04643251279194
  N   -4.91253286517905     -2.05448309286410      5.85518382221741
  H   -5.04063617996838     -2.22034369277208      6.85718295322316
  H   -5.27041459217794     -1.17341313393228      5.48594691980315
