78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668055-nhBS/orca
  N   -2.53486775448077     -3.43279025028156      2.67642105534764
  C   -1.63625451286892     -4.54569537476349      2.43110653436339
  C   -2.15859229817057     -5.78852031817641      3.11281572733008
  N   -3.62925065547172     -5.74843238417931      3.14459818058009
  C   -4.23302224157927     -5.68762345058084      1.79716453102915
  C   -5.70143271751286     -5.33647578864932      1.96616637139638
  N   -5.86997775894431     -4.59423643709706      3.21717535410071
  Mo  -4.29766095537743     -3.84483388330349      4.21335902603060
  N   -3.83735065022313     -5.23546326106213      5.68270007183423
  C   -3.86150776206974     -6.67230048906437      5.38984935569002
  C   -4.16183784542910     -6.88277292556665      3.91844151582630
  H   -4.64470961778328     -7.18056700527339      5.96363853202128
  H   -2.90985802777576     -7.12830285243785      5.69389559890819
  H   -5.24306017614727     -6.91359528537802      3.77012041377318
  H   -3.73977361373736     -7.83065059311233      3.55069574128238
  H   -6.04087196658025     -4.76409121088243      1.09527371328157
  H   -6.32962872354445     -6.23709345093036      2.00096083373469
  H   -3.72044977767255     -4.90006918037774      1.24317161111890
  H   -4.10338887600135     -6.64494977988663      1.26655210512831
  H   -0.62875829270358     -4.34329672296181      2.81187175137475
  H   -1.53180672798171     -4.71071305888997      1.35031733411882
  H   -1.81479759274730     -5.81695240172493      4.15349178645918
  H   -1.81116367373799     -6.70924554563578      2.60865292223660
  C   -2.04549648862541     -2.25224032758607      2.26042496831768
  C   -0.72070620632202     -2.09856758584773      1.72949894602423
  C   -0.21046464949510     -0.86755631557097      1.34638294298125
  C   1.20362188373623     -0.84409312396753      0.90357779061220
  O   1.94265092574871     -1.82080679897124      0.84043791302164
  C   1.78480622182777      0.49966430138015      0.43149791881218
  O   1.40905740417448      1.14942296861982     -0.48957989041103
  F   2.94393321414774      0.80716389932840      1.08964587860903
  C   -0.98197533635320      0.31993609047349      1.41835395390670
  C   -2.27937417410577      0.20703714508876      1.86273250876067
  C   -2.82773647493416     -1.03070842987898      2.27981439321244
  C   -4.20978502066499     -1.04450753978891      2.61370784411434
  O   -4.86456579895487     -2.01681350007521      3.07482883080085
  C   -7.21207305702296     -4.56059337200307      3.66436323403212
  C   -7.52852404764594     -5.23710267542542      4.83876116501566
  C   -8.85487164982698     -5.31890752295846      5.29351807889422
  C   -9.23201663809341     -6.02817426952990      6.53187413319793
  O   -10.38580392007227     -6.42114813549616      6.75939075849888
  C   -8.16852644892957     -6.23040458492596      7.60476528269700
  O   -7.16453599339137     -5.57665491535920      7.81297057011939
  F   -8.48729963129064     -7.23530541352507      8.45883354303173
  C   -9.88715353541091     -4.73863702443471      4.52663173174773
  C   -9.57735376389692     -4.03011553498349      3.38367638041575
  C   -8.24414721292134     -3.90145269719565      2.94607479012573
  C   -7.90450962120269     -2.99109446957620      1.83651650977220
  O   -8.74243295581566     -2.44051985959048      1.12573608428918
  C   -3.60859149355602     -4.88901660612380      7.00020816944641
  C   -3.82129435528743     -5.80877785670881      8.05086696926781
  C   -3.61880590808772     -5.47524216768873      9.39798686330595
  C   -3.89621858384494     -6.37631531935099     10.52951765736899
  O   -3.70698580486852     -6.02704343460319     11.70396788170116
  C   -4.40716678704290     -7.78271857642438     10.26917250338298
  O   -4.55326295452705     -8.38166432421371      9.23681224265883
  F   -4.67251161464537     -8.41384374091564     11.45090159512270
  C   -3.13558241706558     -4.17839103037149      9.73324162402580
  C   -2.85868259551805     -3.28599915407360      8.73401829492759
  C   -3.07574415529288     -3.58873845785864      7.35690260721358
  C   -2.59827497382171     -2.63177213030417      6.42660777008301
  O   -2.72641671997065     -2.64424720889081      5.16690286857975
  H   -0.05031271253996     -2.95133404858625      1.63567505746377
  H   -0.57889002361712      1.27991504301355      1.10045485559300
  H   -2.93012003231414      1.08465590609094      1.89635642618909
  H   -4.77450961186225     -0.11319369195758      2.41040852258371
  H   -6.72073526711080     -5.72796412852231      5.38111680600926
  H   -10.91835063080495     -4.83222644436104      4.87328923942193
  H   -10.35237191825036     -3.51508668953417      2.81507859458093
  H   -6.80571561506778     -2.79720133275384      1.70354153131939
  H   -4.19108896433738     -6.80195141373897      7.83168608935236
  H   -2.97776836117217     -3.93341345505193     10.78414613019823
  H   -2.45003628446421     -2.30153235484577      8.97759236424702
  H   -2.01748548130781     -1.79140232054991      6.85125879568654
  N   -5.38884226036973     -3.13508903991288      5.42198540884957
  N   -6.24955941496016     -3.07705504405775      6.42458984436157
  H   -6.30931762224885     -2.24079222683443      6.95478149779982
  H   -6.56766524216034     -3.93404240885290      6.90533446169183
