70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca
  N   -2.92548646907832     -3.49192507590107      1.93442846643494
  C   -2.95625789304299     -4.20484306416685      0.65777376270828
  C   -2.42684792077867     -5.59962104093279      0.93600133827717
  N   -3.19590847744463     -6.14411195174689      2.09229552012878
  C   -4.22010820950558     -7.12030848424597      1.65123078606776
  C   -5.35379748115691     -7.09310191472913      2.65013336158843
  N   -5.74976176530974     -5.69647727156957      2.75179303992599
  Mo  -4.24583569183824     -4.28219028043767      3.22456341499858
  N   -2.79302486406324     -4.86882716372292      4.50163743547270
  C   -1.68859545034987     -5.65277753501726      3.96072699282704
  C   -2.29555198818722     -6.74607175414194      3.10732687967363
  H   -1.09454901232027     -6.11285567959516      4.76501776357518
  H   -1.00833752733693     -5.01546720517274      3.36538009596338
  H   -2.89747927599154     -7.40185461801118      3.75125208354934
  H   -1.52489901126711     -7.35896627320932      2.61115341335979
  H   -6.18870973727393     -7.70800371442187      2.27871443990248
  H   -5.04337348383749     -7.51836393533248      3.62391143081357
  H   -4.60093341020259     -6.79141524531671      0.67614694979571
  H   -3.77357961103207     -8.12234760251086      1.53957609786691
  H   -2.38638760006405     -3.69310397288473     -0.12805904530216
  H   -4.00105477508781     -4.25021320883469      0.31422538508102
  H   -1.36429175608320     -5.54212807085461      1.20633086947843
  H   -2.52719719871426     -6.27046733616598      0.07037221272972
  C   -1.96556566709301     -2.52800619935387      2.16686762053603
  C   -0.80332523981240     -2.47395507455135      1.35408600000283
  C   0.22003908905851     -1.57445230282425      1.59204212717414
  C   0.11959038826690     -0.67138465151186      2.66014107855519
  C   -1.01172787963503     -0.67627536440997      3.45495390978212
  C   -2.08545274105574     -1.57555508190545      3.24639189615365
  C   -3.27689499737232     -1.53439383000874      4.06419395869740
  O   -4.14999268513608     -2.51303634054145      3.99525110960869
  C   -3.67466722373903     -0.49122976128018      4.98421176854945
  F   -4.90262160066684     -0.78090497023247      5.52937093208269
  S   -2.97139634189781      0.91307416294687      5.46736789706898
  C   -7.05855963414761     -5.42499068660337      3.06775943202711
  C   -7.87085563670936     -6.36897469390306      3.74088030682957
  C   -9.17193014483508     -6.06813798634538      4.10534029103791
  C   -9.73022974922452     -4.81623427755679      3.79919197107403
  C   -8.98444863585184     -3.89450387280788      3.08663812982334
  C   -7.65717155101165     -4.17144404899684      2.68906421235330
  C   -6.88466149574770     -3.26326831243798      1.86400293292595
  O   -5.61187639383703     -3.26508052220425      1.89245605562667
  C   -7.48524102359023     -2.35279041543983      0.87301864608333
  F   -8.82673565702520     -2.54876085649602      0.69228339949209
  S   -6.70469326814804     -1.23585433303020     -0.02001641011181
  C   -2.59642002801291     -4.22946575767634      5.71979057260905
  C   -1.29385655955754     -3.93952155929612      6.18143161709317
  C   -1.08649757054768     -3.17478910674858      7.32168952627692
  C   -2.17456843497615     -2.68021624321810      8.05049063573095
  C   -3.46245556426028     -3.00469872213238      7.65338085974510
  C   -3.70878164275861     -3.79850365742793      6.51518388644218
  C   -5.06251293670573     -4.21538167859718      6.17097675633573
  O   -5.40911501500754     -4.51590825863802      4.96832705119742
  C   -6.09818137843369     -4.42135926565203      7.17818942658986
  F   -7.32832610753062     -4.53982174099548      6.59349024461876
  S   -5.97446448889269     -4.63183576217760      8.79960197068013
  H   -0.68135344418409     -3.18647679445206      0.54065211494186
  H   1.10567707596591     -1.58615935499178      0.95447638361145
  H   0.92649591951741      0.03159421983308      2.87060335062284
  H   -1.09910417331871      0.03308597192984      4.27471660107625
  H   -7.43962074276525     -7.32237777933706      4.04333255660443
  H   -9.75393220202008     -6.80188652393002      4.66581847391838
  H   -10.74135447383768     -4.56923892289119      4.12305794199209
  H   -9.41738393120519     -2.92651168911679      2.84456715498498
  H   -0.43352551014766     -4.25243930966327      5.59191341621926
  H   -0.06643026017648     -2.92898692453156      7.62170314981117
  H   -2.01582201759205     -2.03893696021221      8.91746240652909
  H   -4.31266733266751     -2.62325700811159      8.21360728492055
  N   -7.61842310735744     -5.61165382409427     -0.58201226641230
  N   -6.52770037434769     -5.57047852945221     -0.74071507643077
