128
Coordinates from ORCA-job /scratch/magstr/orcajob__5661791-Obfc/orca
  N   -3.22039313101966     -3.45176629257430      2.46153145249626
  C   -2.82116051610975     -4.34861604834359      1.35631025175040
  C   -2.62216441376769     -5.76926560830528      1.85120850565607
  N   -3.75710432946503     -6.18665860745577      2.70700936192484
  C   -5.00242215028195     -6.41516690092193      1.94828884638366
  C   -6.17081339013032     -6.28734818538749      2.89744239336020
  N   -6.02253646603854     -5.06915772485078      3.71415134867372
  Mo  -4.16967182928024     -4.35457167714724      3.94955059570183
  N   -2.99409157241833     -5.43883912264610      5.14248244575337
  C   -3.45649382523809     -6.83475247541687      5.07795816613974
  C   -3.41662274519446     -7.32153774876577      3.61733955265878
  H   -4.48740109322528     -6.90132435159502      5.45999215689809
  H   -2.84289267993827     -7.49136444286987      5.71224076040490
  H   -4.12337806614877     -8.14940817599562      3.46657024086588
  H   -2.41697848959638     -7.68969316829850      3.35302002015489
  H   -7.08474489977724     -6.26285957215251      2.29072312953782
  H   -6.24620252227147     -7.18268796029507      3.54482736679803
  H   -5.07718437604357     -5.63572697972020      1.17730645931493
  H   -4.99005196659741     -7.39821206374718      1.44761211837034
  H   -1.85321429550937     -4.03216158678716      0.94227797660968
  H   -3.54317874252960     -4.30476155563451      0.52091865220138
  H   -1.72147079105169     -5.80526187212306      2.47825823404383
  H   -2.48577818103673     -6.46614721390114      1.00579955212043
  C   -2.44716102500704      2.92873701079084     -1.17027080749616
  C   -3.22381893520157      2.01512170439912     -2.11678000172149
  C   -4.69151178557748      1.86026349194499     -1.75011703832014
  O   -4.86146847435346      1.33473193403154     -0.40438973004277
  C   -4.75318211593553     -0.01776940507117     -0.28402590480269
  O   -4.61744003286132     -0.80317038750145     -1.21416836433723
  N   -4.83640358531652     -0.36824751271373      1.03458463018720
  C   -4.61826696551628     -1.71971708575339      1.48385309490425
  C   -3.21495141218815     -1.99019594294512      2.10227415717144
  C   -2.11027375985198     -1.63333284515063      1.08833995669885
  C   -0.72777294419252     -1.64114048790341      1.74028840122229
  C   -0.61814995389117     -0.52078302590426      2.80513680996017
  C   -2.00185727647996      0.02164100455227      3.19344277344377
  C   -3.00254077832790     -1.12050754474027      3.37423685774918
  C   -10.15232237870157     -0.56569614216275     10.92571310655179
  C   -10.17081214707552     -1.76055232583614      9.97263457724048
  C   -8.85271055627407     -1.89108170371594      9.23870764066328
  O   -8.95467979014531     -3.03898205594327      8.34455383196724
  C   -7.86374961771129     -3.30488856472865      7.60029474140634
  O   -6.81815353787513     -2.64291411699740      7.66655324047055
  N   -8.07461954230482     -4.38018472649320      6.80141168654224
  C   -7.07867847158822     -4.92819194420153      5.90511882810879
  C   -7.27237217764890     -4.57928691883200      4.39953952381844
  C   -8.55874501760593     -5.27798473142665      3.90039899989366
  C   -9.08268616795662     -4.68412365412467      2.59115861631038
  C   -9.58637216253289     -3.24246183545955      2.81426124156648
  C   -8.90350874879845     -2.59796319836455      4.03104724131131
  C   -7.44707531099268     -3.04689121351183      4.17458871014229
  C   -0.97321835219796      2.58951629054680      9.06805287205418
  C   -1.72213794862261      1.43073968099612      8.41073292459140
  C   -0.77113759016230      0.32825421468444      7.99069785085931
  O   -1.55990690501511     -0.73321472086838      7.39363904339496
  C   -0.84237487387811     -1.74951906410437      6.84183823497958
  O   0.38143485367319     -1.80690819942992      6.81462940083470
  N   -1.69359336918243     -2.69212484556550      6.33400150832004
  C   -1.18424252501035     -3.76658928905600      5.51542609735996
  C   -1.69250433454931     -5.19628912562693      5.81832866802637
  C   -1.88538327965980     -5.40588550984172      7.33625536216045
  C   -0.58926899571383     -5.18460097686175      8.13699538948102
  C   0.66223649800891     -5.76632363685437      7.44179620887889
  C   0.27540796610261     -6.79283640474201      6.37883676478029
  C   -0.59582240946845     -6.17528082346320      5.27568087640318
  H   -2.88116980585601      3.93998500052366     -1.14763749810660
  H   -1.39795579803005      3.02025885680886     -1.48352744021113
  H   -2.45751246590044      2.53832932380846     -0.14224770714837
  H   -2.76178410218241      1.01656895384152     -2.15823298934968
  H   -3.19024058362367      2.41556862999249     -3.14361793242430
  H   -5.21124588223640      1.19968205271651     -2.45689985411885
  H   -5.19886011552181      2.83433279392941     -1.71753644507706
  H   -4.89382377291771      0.38473437064950      1.71305918255114
  H   -4.77350700605204     -2.37473521737262      0.61584764389197
  H   -5.36723425298483     -1.97461475104415      2.25004903999921
  H   -2.16130717534065     -2.26539814517675      0.19364829597270
  H   -2.32747738927333     -0.61883063475201      0.72456426483443
  H   0.04977155484320     -1.52262205464354      0.97235486498225
  H   -0.55136097430321     -2.62517137015161      2.20683376687155
  H   -0.11189602003833     -0.90456719994844      3.70437992134621
  H   0.00489647137416      0.30295366353471      2.42666990592353
  H   -2.36202454326063      0.73120533726572      2.43113921051813
  H   -1.93356592743703      0.59017459911961      4.13323565778045
  H   -2.61921833233483     -1.76541180417119      4.17262218870262
  H   -3.96695007462333     -0.73391410769281      3.73637590948214
  H   -9.98011142695248      0.37591812618526     10.38338229879401
  H   -9.35916057440031     -0.66789950776746     11.68126819226714
  H   -11.10947212926604     -0.47587449651973     11.45610179908045
  H   -10.98328703427476     -1.64831188628159      9.23756868470237
  H   -10.36694078038984     -2.68970403565636     10.53031920841000
  H   -8.01422473184741     -2.05831499195172      9.93087932635634
  H   -8.63015708071238     -0.99715459112023      8.63695448509620
  H   -8.97844563706159     -4.83404429095239      6.88857791236765
  H   -7.07607512819749     -6.02519383284188      6.00923702407340
  H   -6.10002028028166     -4.56504738942622      6.23852831603592
  H   -8.41915986972066     -6.36559103864281      3.84264045582928
  H   -9.32975297987899     -5.12967801183722      4.67353102427898
  H   -9.88269038068833     -5.31638165309344      2.18026666090221
  H   -8.27802662770714     -4.67995036839698      1.83829258901938
  H   -9.39403987674745     -2.64083516619891      1.91314820231664
  H   -10.67658018808741     -3.24085945587791      2.96225346950496
  H   -9.45504118003756     -2.84128623013464      4.95234399403742
  H   -8.93237791701588     -1.50150013479942      3.94668520877854
  H   -6.97847253259768     -2.48304441826143      4.98698179464676
  H   -6.90534104627073     -2.78433822873965      3.25366612210259
  H   -1.66758366195361      3.38621749665859      9.36685958585135
  H   -0.23446350402616      3.02877766534395      8.38104889466949
  H   -0.43591056675384      2.25753119709441      9.96889006440870
  H   -2.46961289702273      1.01685480683868      9.10605689681753
  H   -2.27243203246550      1.78617922290626      7.52479435467183
  H   -0.21824643126031     -0.07942666610190      8.85159590601030
  H   -0.03478144274232      0.68472492682199      7.25453178614011
  H   -2.68178193024614     -2.45214229228476      6.34720680847807
  H   -0.09843292951189     -3.74554375518707      5.66593723917947
  H   -1.35552008241864     -3.57298797969909      4.43927537664763
  H   -2.67232691835466     -4.72649683534969      7.69285822275569
  H   -2.25236874757843     -6.43070691521159      7.49875552590426
  H   -0.44586675609686     -4.11136194825788      8.31995555861984
  H   -0.72577638579189     -5.65330869828137      9.12306431567362
  H   1.33047674767170     -6.22477022690222      8.18440553659862
  H   1.24197387922458     -4.95666018185108      6.97033202083989
  H   -0.27062491128639     -7.62442210822939      6.85582599148659
  H   1.17196975257914     -7.23664228300655      5.92070407256478
  H   -1.04747440681992     -6.98827574573741      4.69510497420270
  H   0.03650688574187     -5.61835124042222      4.56546210907970
  N   -4.55046595163973     -2.99378711759857      5.12175337193469
  N   -4.73874316989781     -2.15398796401111      5.97698060996791
  H   -5.55778553125363     -2.34957808356713      6.64197841191893
