78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670610-WszZ/orca
  N   -3.40402851787376     -3.50347087260255      2.09219389710525
  C   -2.65161001071522     -4.23510261921824      1.04786777139047
  C   -2.39615266944703     -5.66232544142363      1.54644483814210
  N   -3.56785464196699     -6.15568709063508      2.36887816425385
  C   -4.75644178227001     -6.51649103294804      1.50364224267107
  C   -6.03777470330861     -6.46913649234891      2.34736492804627
  N   -5.99193097898856     -5.24453660505103      3.18170572164680
  Mo  -4.20732932860362     -4.48268003461320      3.65220791454478
  N   -3.31252471558140     -5.65917404256123      5.00790577960241
  C   -2.44533544829903     -6.75571135518099      4.50059524125032
  C   -3.13198124544621     -7.31124569845016      3.24319409888125
  H   -2.35293735790683     -7.55497043646220      5.25174349524751
  H   -1.42586877591494     -6.39959448525500      4.27600057427101
  H   -4.03782221604341     -7.85262828623466      3.54294622231585
  H   -2.48311715953762     -7.98696546808420      2.66569621660223
  H   -6.90817578265521     -6.45334074984123      1.67145154841933
  H   -6.13448090495575     -7.36565375060602      2.98546728323650
  H   -4.81710432124565     -5.75903535276739      0.71170390907077
  H   -4.60194477127475     -7.50212572624288      1.03869807144677
  H   -1.68355845848407     -3.75551841057963      0.82906982854700
  H   -3.23095668402916     -4.23370805399635      0.10732313156621
  H   -1.52519393759624     -5.66501454830440      2.21520617073985
  H   -2.20344516096287     -6.36648058336821      0.72307682472757
  C   -3.66313264059561     -2.12087631284909      1.93697156111672
  C   -2.64094317926453     -1.16225272809037      1.75984627928871
  C   -2.92653894240901      0.19971642739463      1.81654255494567
  C   -4.23440352320470      0.60936035306896      2.06526857211772
  F   -4.48914949123555      1.93163084239609      2.18585143237505
  C   -5.28582030995232     -0.30617267925071      2.18735142028847
  C   -6.68524892855809      0.06031405867210      2.49550187531151
  O   -7.62441559937104     -0.71433218465426      2.38348971478945
  C   -7.02971377979043      1.44360952167274      3.08923457066647
  O   -7.62222670620285      2.30415630812236      2.49374816414351
  C   -6.61897752630042      1.54581956185101      4.58769336412037
  O   -5.93319493116611      0.70845853882469      5.11419844036936
  Cl  -7.22557873010977      2.96992267624937      5.40242004589570
  C   -4.98223864992235     -1.67074276375625      2.07665589091938
  C   -7.14803684654494     -4.79538956028546      3.85916841294545
  C   -8.36410219141878     -5.49266022446392      3.92526528177647
  C   -9.43032252530361     -4.94591961575528      4.64126773229101
  C   -9.27965354850334     -3.72530175605257      5.28616500998187
  F   -10.31848146899491     -3.22599333645783      5.98557535329269
  C   -8.06783624726777     -3.00966007562212      5.26810145955871
  C   -8.00081581952281     -1.71173740624742      5.99890094129690
  O   -8.71178262421902     -0.75372280447786      5.77024841513025
  C   -6.93193600946241     -1.58383298780499      7.11739530625697
  O   -5.91387880842776     -2.24105870447423      7.13623658430626
  C   -7.28192780708319     -0.58344393964006      8.23391310060954
  O   -8.35766351538846     -0.55124771720681      8.74705588326631
  Cl  -5.90387092109954      0.40971142672944      8.72875703130478
  C   -7.01528099310610     -3.56258395347659      4.54428194973217
  C   -3.46041388476748     -5.48331322989720      6.40327403662059
  C   -2.35560233673304     -5.46705228340884      7.28482618538033
  C   -2.53438480703614     -5.26685221743464      8.65104880956698
  C   -3.82349022858238     -5.08686917734443      9.14493241869683
  F   -3.98508546907891     -4.86142904131093     10.46658446151531
  C   -4.94690909551390     -5.11965045432900      8.30808476522069
  C   -6.32899682664053     -4.96112234759661      8.79119932862849
  O   -7.30091509349787     -4.83403272297487      8.05340148209283
  C   -6.69463854566868     -5.06863440488582     10.27592789367286
  O   -6.78031616629709     -6.13098893302666     10.83991603221786
  C   -7.05084157386364     -3.70130355870252     10.90316759124062
  O   -6.70762363385665     -2.66966366890259     10.39255303683670
  Cl  -7.90383900730007     -3.81570333636494     12.43486100774540
  C   -4.74259578410444     -5.32469172951697      6.93669556654740
  H   -1.60820325822011     -1.48645004329682      1.62163078992203
  H   -2.14327593245743      0.94969874743201      1.70387287393163
  H   -5.80874291652555     -2.38258793685986      2.12854102940176
  H   -8.49114739040811     -6.45119889371943      3.42279733211013
  H   -10.38769762626295     -5.46285661185462      4.70838960136454
  H   -6.02500738635895     -3.12541241933189      4.36510962646131
  H   -1.34690836484299     -5.60176949662494      6.89063075505108
  H   -1.68835607918414     -5.23745160541937      9.33794327893214
  H   -5.62323284126329     -5.38729142467232      6.29474440402077
  N   -3.74785894360815     -2.57263805608316      5.10467432495445
  H   -3.69789431199040     -1.67673217318974      4.60785456972125
  H   -2.88772428450149     -2.66304216573054      5.65497963735449
  H   -4.53451337390242     -2.48504564259308      5.77219893896814
