119
Coordinates from ORCA-job /scratch/magstr/orcajob__5655484-5wPc/orca
  N   -3.05010158164265     -3.47994968329757      2.16973012906605
  C   -2.73450132076494     -4.41612136475384      1.09183086197598
  C   -2.64143460132232     -5.81737324666818      1.64217640288399
  N   -3.71890970928135     -6.02239587068875      2.63713900545877
  C   -5.04084384192756     -6.23425109890016      2.00035152329923
  C   -6.13823039998931     -5.79702265977273      2.94962053542251
  N   -5.80086843967299     -4.49154308247801      3.53176002844377
  Mo  -3.92848423803134     -4.05163102689157      3.84363298594595
  N   -3.14997240994815     -5.29143309516963      5.15504292758590
  C   -2.44446647144680     -6.46472001650405      4.63425532759978
  C   -3.34261622426481     -7.09921458071738      3.58476343977587
  H   -2.22623396811230     -7.18133080446114      5.43904457548291
  H   -1.47408406454925     -6.17072364905744      4.20273325762746
  H   -4.25691578822735     -7.47267975617974      4.06536486752230
  H   -2.86020331621147     -7.93444441359437      3.04906329366351
  H   -7.08417795103175     -5.74454918040888      2.39121000846553
  H   -6.27930609518901     -6.53909788997329      3.75790113406363
  H   -5.08046771958419     -5.60589362577661      1.10108311633277
  H   -5.16341581227514     -7.28621838789252      1.69302239183518
  H   -1.76703261973625     -4.14777098540569      0.63599323737654
  H   -3.49668257524432     -4.33787808945736      0.29167159620200
  H   -1.68220934753233     -5.93084099521599      2.16384281212413
  H   -2.69629695997814     -6.57955142985830      0.84690696067190
  C   -4.02997020988712     -1.17325664776765      1.77681382698826
  C   -2.79879134358616     -2.07314992822945      1.75540579057466
  C   -1.63086495008443     -1.44031305327750      2.54791214647255
  C   -0.42095861201644     -2.32744220660112      2.59665502086694
  C   -0.32425249722319     -3.31643771554386      3.58145070804511
  C   0.74089214512989     -4.21581946613316      3.60830966963014
  C   1.74196149462375     -4.13191964535019      2.63335402343965
  S   3.07014463525508     -5.31391274922242      2.64176677331433
  C   4.49739965318898     -4.27902326109974      2.88028541733131
  C   5.72379040906478     -4.73981087489435      2.38099155100040
  C   6.88689185905612     -4.00164481857334      2.60503483619566
  C   6.83218511719446     -2.79567827707150      3.30755857039454
  C   5.60618428549542     -2.33787350626912      3.79880059539470
  C   4.44096525093846     -3.07771911294937      3.60040280145144
  C   1.66612625880249     -3.13799071347440      1.64582844255878
  C   0.59686730466880     -2.24552889874158      1.63414475499297
  C   -8.04544386381529     -4.49112018838176      4.65377290562362
  C   -6.94449269553970     -3.66852701545551      3.98068160379650
  C   -7.48374884526507     -2.76706306282244      2.83380125042296
  C   -7.89803118111842     -3.50748788353365      1.59366194587603
  C   -6.98820956233575     -3.70330727391773      0.54631473366930
  C   -7.31496000311177     -4.47713980712939     -0.56559837398100
  C   -8.58493154413397     -5.06174534933377     -0.66640007349856
  S   -8.96612025897889     -5.97667034794401     -2.13671202608592
  C   -9.96116491359193     -7.32518586995371     -1.54086889570793
  C   -11.07119347876962     -7.70755037941604     -2.30508593799924
  C   -11.82890770234832     -8.81721719806256     -1.92451133827400
  C   -11.49883016030665     -9.53634309526509     -0.77461578175274
  C   -10.39423770845119     -9.14752596041182     -0.00951052263679
  C   -9.61809470124683     -8.05528556017835     -0.39351883472911
  C   -9.52447099343261     -4.83388312355681      0.35132840405014
  C   -9.17809422937586     -4.07201967144984      1.46368426559989
  C   -5.00886685757924     -5.20712315348660      6.84686566360636
  C   -3.50764885021938     -5.34905606667168      6.59700044147549
  C   -2.72182425135663     -4.33152390520869      7.44577892104575
  C   -1.22104430077050     -4.39479636304218      7.31890869169810
  C   -0.51435687344440     -5.59388270321533      7.48642937461245
  C   0.87504125621839     -5.64828493119650      7.38126294559293
  C   1.60470654589651     -4.48216365803170      7.11041251792586
  S   3.35987280899910     -4.41886521174362      6.88839737669043
  C   3.88929975101275     -6.08739435585521      7.20971605211619
  C   3.97590801872265     -6.56773726043996      8.52340630257581
  C   4.43648989213541     -7.86352950777762      8.75680449839299
  C   4.82832583825179     -8.67308746466219      7.68612376260697
  C   4.75163466094447     -8.18841916344149      6.37884078275784
  C   4.27692374710489     -6.89734474950351      6.13574519185118
  C   0.91351681463551     -3.27031889320113      6.95296413559609
  C   -0.47442480693095     -3.23731485699575      7.05676419116071
  H   -4.40421154466649     -1.04223162331093      2.80062762651253
  H   -3.77076379133846     -0.18138487575958      1.38021333847273
  H   -4.83479012624857     -1.58597751551714      1.15397607255549
  H   -2.46699914971829     -2.14092404256951      0.70590221960324
  H   -1.97938495126782     -1.20959388566130      3.56635769206500
  H   -1.39134516581633     -0.48096183289661      2.06484017982789
  H   -1.09263698732811     -3.36350865708889      4.35432543282864
  H   0.82044781035325     -4.95764105306836      4.40382216911104
  H   5.76264090322449     -5.66979309604614      1.81087153590868
  H   7.83778896288008     -4.36659863723500      2.21351551012173
  H   7.74030798592568     -2.21428695064251      3.47144533588635
  H   5.55623542792424     -1.40122867546839      4.35682605166340
  H   3.49179345471578     -2.73059307146696      4.01287379701848
  H   2.45220649458483     -3.06657912620879      0.89279486670862
  H   0.54789772778706     -1.47501226833906      0.86077049753157
  H   -8.79764139870394     -3.81196375409815      5.07771790489720
  H   -7.63635242598367     -5.09767643924904      5.47191783772473
  H   -8.55914142028766     -5.15714603939105      3.94859437100899
  H   -6.55568910006916     -2.97739374830529      4.74370286021867
  H   -6.69446561888403     -2.04456587565118      2.58243354000560
  H   -8.33371088117567     -2.19759499340132      3.24229507138095
  H   -5.99046011601340     -3.26693743378232      0.61685215272894
  H   -6.58121367003833     -4.63531001832065     -1.35822749152765
  H   -11.34239423923024     -7.13140420197648     -3.19107523408630
  H   -12.69105233655195     -9.10994757089975     -2.52571697162324
  H   -12.09878126870198    -10.39606330164375     -0.47381724350956
  H   -10.12191106667762     -9.70950262300784      0.88991565056741
  H   -8.74684007867807     -7.76457456598378      0.19526197481644
  H   -10.52661420071790     -5.25542690826537      0.26885108028850
  H   -9.92286875525104     -3.90261537651120      2.24439542648156
  H   -5.57624747489476     -5.93733765492256      6.25466136284186
  H   -5.36279549040522     -4.19836099026049      6.59321922962045
  H   -5.22478886194266     -5.38297940202536      7.91005353246253
  H   -3.22172776527306     -6.35975496375433      6.93183892847959
  H   -3.01941426220363     -4.50132644464245      8.49542469093546
  H   -3.07049688068110     -3.31756616059839      7.20019235425328
  H   -1.05425941953210     -6.51583380937987      7.71598909715612
  H   1.39187639903055     -6.59758868354323      7.51372803232352
  H   3.68433267822570     -5.92264724703528      9.35351969571975
  H   4.50248103998524     -8.23808345562562      9.77949382351683
  H   5.19991167609096     -9.68162116832112      7.87383952367542
  H   5.05962796249867     -8.81682119939677      5.54159981125110
  H   4.19500835137946     -6.51316337397887      5.11863696979417
  H   1.46987402058834     -2.35839335542684      6.72288874913083
  H   -0.99174379317012     -2.28260083635383      6.92884896447690
  N   -4.00362776137878     -2.41287698696534      4.89574584687740
  H   -3.20483445591466     -2.01243884710230      5.39454600660655
  H   -4.81577333290501     -1.80816341929300      5.04279660413494
