77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668082-4CVa/orca
  N   -2.73107154722141     -3.23652070123975      2.15675651713491
  C   -1.86339706239503     -4.12530216866651      1.36785303782279
  C   -1.69215632931205     -5.43604596859643      2.08866066069135
  N   -2.98112827466687     -5.79670011693274      2.72713194016336
  C   -4.04170678552350     -6.03756895246932      1.70430994962975
  C   -5.38109633127547     -5.92262206788394      2.38337749031889
  N   -5.30456847802188     -4.76298445740994      3.28230924169000
  Mo  -3.54138791886295     -4.02393975979908      4.01246009759909
  N   -2.53015585311422     -5.40975727078887      5.31072428344747
  C   -1.98868832187533     -6.65925133370231      4.76095727274566
  C   -2.82731422730326     -7.01113146202251      3.56931368957484
  H   -2.05364176147864     -7.46831157088984      5.50345889396352
  H   -0.92415511744813     -6.55461374550068      4.49210617176017
  H   -3.82706649853288     -7.32368679460508      3.89433007056564
  H   -2.38173523967898     -7.81928367642277      2.96774526908451
  H   -6.16462624180021     -5.78501673896191      1.62343276304455
  H   -5.65235937091350     -6.82623884374979      2.95964927485728
  H   -3.97813937915518     -5.25299436291888      0.94590249337947
  H   -3.87664210319314     -7.01948165641139      1.23337285957419
  H   -0.87074502397265     -3.67048495202578      1.22731704652757
  H   -2.28972630135766     -4.28158744565253      0.36356895913980
  H   -0.93608690986763     -5.34487625338286      2.87680106574300
  H   -1.37824079277596     -6.23478758346787      1.39674148981506
  C   -2.85845461868051     -1.99543057896959      1.65256519577653
  C   -2.20615965690530     -1.61248729266978      0.43341949205015
  C   -2.26707848321041     -0.34144409994313     -0.09313260344230
  C   -1.60281729154351     -0.13422167292467     -1.42442513258464
  O   -0.66531167659110     -0.82031459298774     -1.79390441786952
  C   -3.01524650070334      0.68880798295273      0.56361229158612
  C   -3.01692417041195      2.09346033073064      0.13124964370301
  O   -2.27344342131213      2.56402511911845     -0.71789626473274
  C   -3.70884401147980      0.34515194874969      1.70485039376252
  C   -3.66100255638360     -0.95520156089086      2.26686587874759
  C   -4.46952739088572     -1.16476011006277      3.39296350195759
  O   -4.59798800765019     -2.24690950344097      4.04589783103103
  C   -6.57436617021905     -4.18084605069617      3.50463351099333
  C   -7.27238529346257     -4.48063367959881      4.67791053205269
  C   -8.51288917480718     -3.90300387968684      4.97335217623448
  C   -9.08537215900896     -4.23356771847862      6.30573001293127
  O   -9.95548946906919     -3.59921908860750      6.87383750041718
  C   -9.10844195628732     -3.00366291611146      4.05928855067420
  C   -10.45371072120625     -2.38038888707699      4.25067397231707
  O   -10.80847416037643     -1.40709088562270      3.60585037508355
  C   -8.42573313936428     -2.72605060857651      2.87468087787674
  C   -7.18468681091512     -3.29938281531429      2.57035173780178
  C   -6.59557132281123     -2.92023183072188      1.26739364243947
  O   -5.58586867011300     -3.39051971790455      0.76444493522600
  C   -2.18313119568654     -5.15537676742023      6.59999813033705
  C   -1.06666568277776     -5.79153413984514      7.21311944511293
  C   -0.64718289476421     -5.48362460204962      8.49507365451600
  C   0.54978652496984     -6.23400843953835      9.00515284506730
  O   1.39320242393811     -6.69039284466859      8.25213157918958
  C   -1.37780798043146     -4.55401584238149      9.29658653477020
  C   -0.93085921976751     -4.10001890197691     10.62305482630756
  O   0.17577530181923     -4.31149438300793     11.09747924863761
  C   -2.53825173988151     -4.01165778276144      8.76609469532207
  C   -2.94794776505972     -4.27099683920702      7.44402355361137
  C   -4.23735469401576     -3.83479929301440      7.04150258576915
  O   -4.70427342057557     -3.91720257494986      5.87960111318901
  H   -1.63575266238382     -2.33387574806110     -0.14577881052675
  H   -2.04423784351667      0.64979513031343     -2.07172230990390
  H   -3.75692442473738      2.73684912145108      0.66783207459332
  H   -4.30842027603739      1.10406246425837      2.21607695403549
  H   -5.08743435040631     -0.32547863194126      3.74967012596876
  H   -6.82075669470469     -5.16890032306853      5.39281510922942
  H   -8.61772716807356     -5.12846494337520      6.78702067454223
  H   -11.12423053248421     -2.86447881441067      4.98824786403433
  H   -8.89298309341234     -2.04233845409163      2.16061116925191
  H   -7.17791408180983     -2.13023867016922      0.73432155331142
  H   -0.45794260046539     -6.50761781803378      6.66300684886723
  H   0.60000864336341     -6.38708038509071     10.10152862023703
  H   -1.69236586105330     -3.50414994300002     11.18353530988038
  H   -3.14902817790408     -3.34331023639312      9.38036541146455
  H   -4.91322283146520     -3.44420560690658      7.82321029653968
  N   -2.21228791558568     -2.82630745984377      4.90310226546422
  H   -2.36514410893460     -1.82680060811253      5.04055578582234
  H   -1.33980397501046     -3.10817967046794      5.35031367305165
