95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca
  N   -3.46744796816389     -3.46791874650099      2.02130553276750
  C   -3.04259396346773     -4.40725462371601      0.97964438733153
  C   -2.59960508797591     -5.71824771996040      1.61657532560442
  N   -3.51910980363316     -6.09408191784324      2.71661440719679
  C   -4.79863098245913     -6.65830327096868      2.22461298392358
  C   -5.89347582310297     -6.45684365632835      3.26618453836742
  N   -5.81473362149923     -5.10011070032389      3.80377544483983
  Mo  -4.03778015676124     -4.19394809930621      3.77355824999191
  N   -2.57473115155428     -4.84909007376767      4.95700810835541
  C   -1.94244387606191     -6.12514050857617      4.61578928389395
  C   -2.87111824391789     -6.95228939538786      3.73690605538611
  H   -1.72119746356174     -6.72768947825888      5.51229202071692
  H   -0.97202163497810     -5.96552297392260      4.10224188346786
  H   -3.66983582695247     -7.36956983354061      4.36359775802204
  H   -2.33067919989036     -7.79183545116335      3.26174897229815
  H   -6.86405069632756     -6.64648980028065      2.77391162265047
  H   -5.80635719038402     -7.21911096308786      4.06697849862169
  H   -5.06409170765793     -6.10137426742218      1.31506654341901
  H   -4.67887021462873     -7.72475781620600      1.95790421173133
  H   -2.18774988605480     -4.01542024181413      0.40353477365133
  H   -3.85441611784328     -4.58798052468822      0.24650253795770
  H   -1.60720603592937     -5.57392950596258      2.06294522708959
  H   -2.52934749094654     -6.52926711092121      0.86829160417897
  C   -3.69207105380616     -1.72299710503818      0.22700711548891
  C   -3.38012572927194     -2.03887667428678      1.69230194908384
  C   -2.02823105745186     -1.41458396834163      2.16201663866668
  C   -0.80003448017708     -2.14285568771191      1.70086026957143
  C   -0.27604529927724     -3.19171559292474      2.47436771482294
  C   0.82586407524574     -3.92371630505216      2.03842000213567
  C   1.44220046216799     -3.62729359805182      0.81473014519345
  C   2.62572146418450     -4.40648506751766      0.35017082354127
  Cl  4.19734813245739     -3.67860477238627      0.95442871054954
  C   0.93451303145258     -2.57044122524354      0.04615552997698
  C   -0.16828830662398     -1.83921381092793      0.48446957098040
  C   -7.86293167438971     -5.42252195591909      5.20505330200290
  C   -7.07715868178511     -4.51455066275995      4.25367148847884
  C   -7.94131450366712     -4.06081479572165      3.04150160598454
  C   -9.12759346841235     -3.23149510647147      3.44281124944299
  C   -10.41900274555446     -3.77570700605600      3.50371148554795
  C   -11.50369539708935     -3.01064540777242      3.92833832962386
  C   -11.32862823259225     -1.67303118589083      4.30709549127462
  C   -12.48585332015758     -0.85505719189637      4.77027828518351
  Cl  -12.71679358023796     -0.97714458622112      6.58681285660387
  C   -10.04109547375399     -1.12110766036795      4.24471359232337
  C   -8.96007493090510     -1.88860171791807      3.81829889842390
  C   -0.61306335420425     -4.40202651568876      6.46276901951990
  C   -2.10334348191400     -4.18772768885311      6.17945818849331
  C   -2.99700561875826     -4.53836680636290      7.41375131412935
  C   -3.20007753861720     -6.00975561201533      7.61911213458885
  C   -2.30549125328898     -6.79013946870797      8.36826619491199
  C   -2.45574825910492     -8.17377348843861      8.45152213338278
  C   -3.51532500965902     -8.81727645119241      7.79693254623723
  C   -3.65359288735718    -10.30022682045446      7.84558057812871
  Cl  -2.84076071804289    -11.09168344445521      6.39941097475077
  C   -4.43641668723884     -8.03824686112664      7.08330112084680
  C   -4.28072274542753     -6.65729396341808      6.99708854684900
  H   -4.65768553319409     -2.16145192926679     -0.06386523977971
  H   -3.75660343530323     -0.63418693053963      0.08803392800323
  H   -2.92383040707132     -2.10176555569392     -0.46201251614612
  H   -4.14425595303375     -1.54019680104778      2.30814392105756
  H   -1.99957593767545     -0.36412502884664      1.82990751129264
  H   -2.05110133233283     -1.41445384697033      3.26266457742094
  H   -0.76155085486534     -3.44429548347582      3.41959605974400
  H   1.22071042655431     -4.73528336856401      2.65526917514625
  H   2.71653977288240     -4.41379534117874     -0.74138923127602
  H   2.62313951012563     -5.43315351223648      0.73210358684850
  H   1.41456315620975     -2.31763627427065     -0.90222905919430
  H   -0.54936075867872     -1.01747987923820     -0.12617804395654
  H   -8.75738959657448     -4.90373856085422      5.57676593421236
  H   -8.19556102949720     -6.34457422884851      4.70490686633936
  H   -7.24487210643037     -5.70252254984417      6.06965902084981
  H   -6.81103827628423     -3.60469154399279      4.81341823343087
  H   -7.27958617615943     -3.48046106827661      2.37959182957163
  H   -8.27941259549785     -4.94676625952633      2.48010099731064
  H   -10.57286239780788     -4.81707097164872      3.21103913960591
  H   -12.50145962453743     -3.45428272899750      3.96782687580320
  H   -12.34641694312549      0.21328068530507      4.57311451766967
  H   -13.43419875671704     -1.19445985138703      4.34002214953456
  H   -9.88959834634090     -0.07814902223912      4.53302628919154
  H   -7.96514568703530     -1.43858143496932      3.76609099067251
  H   -0.30228873388474     -3.77012226204864      7.30705267668985
  H   -0.00382895996355     -4.12511308213546      5.59040132702449
  H   -0.38260753772228     -5.44422777653343      6.72298924822000
  H   -2.24504179696526     -3.10518134728790      6.03014000653042
  H   -3.97034815001855     -4.05733412978144      7.23736758647207
  H   -2.54751646825480     -4.07798238347401      8.30835136769631
  H   -1.47614216594916     -6.30590480296857      8.88885175070554
  H   -1.74053805675518     -8.76685433994717      9.02642123619580
  H   -4.69788146717983    -10.62642829369691      7.79364177861283
  H   -3.16529730521287    -10.73922822920996      8.72199702214350
  H   -5.27834635479522     -8.52464893932973      6.58379329739826
  H   -4.99306650104967     -6.06236699095080      6.42218624209649
  N   -4.55873717818240     -2.49825727458714      4.82574214059915
  H   -5.41413743363916     -1.96277611067745      4.66151262869742
  H   -3.88200854102629     -1.86331866562397      5.25532239936127
