72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670625-WpYu/orca
  N   -3.13974049138042     -3.82470085628729      1.43570097107338
  C   -3.04025811988450     -4.75126196493488      0.30300145013353
  C   -2.66279127049563     -6.09683526902522      0.85040111719520
  N   -3.59858203571334     -6.42676242748580      1.95522596373943
  C   -4.88807905422533     -6.92980203114118      1.41531320190182
  C   -5.90626188297010     -6.86068216157773      2.52240798406967
  N   -5.80288842103073     -5.51725086598883      3.10015822206783
  Mo  -3.98343638265061     -4.53801668649076      3.22057530627152
  N   -2.70311493187095     -5.62359888819752      4.34184120882963
  C   -2.01131746740104     -6.77726833445742      3.75213521688248
  C   -2.99673917774286     -7.45760056513897      2.84467847785625
  H   -1.69663623349772     -7.47880764426696      4.53800930341828
  H   -1.10298852025843     -6.45549651110211      3.21398037982079
  H   -3.78986886678726     -7.89661760716858      3.46417969748506
  H   -2.53246672101596     -8.24567329081816      2.23061087746861
  H   -6.91274343809609     -7.02811172608328      2.11174140061162
  H   -5.71862377394322     -7.62591235996491      3.29650790405094
  H   -5.19398398762573     -6.28280453552102      0.58327747636752
  H   -4.75461461496385     -7.95534479583762      1.03449635882429
  H   -2.26679367833916     -4.41206520869153     -0.40226384508799
  H   -3.99181495408253     -4.80293711849312     -0.25598228144063
  H   -1.64582390415995     -6.05485006609942      1.25955039537465
  H   -2.70103474755500     -6.88791070753650      0.08455982143207
  C   -3.03980786477118     -2.49179156501792      1.09906683735095
  C   -3.29047922538015     -2.06784411916012     -0.23488332871073
  C   -3.22404860255641     -0.73902640656527     -0.60727304733301
  C   -2.87849925738898      0.22308758086411      0.34931626553498
  F   -2.85373557856068      1.52283402203066     -0.01616004343839
  C   -2.58453396590106     -0.12344181493584      1.64580513804099
  C   -2.64469198920485     -1.47757468179709      2.04498599669144
  C   -2.29949442655307     -1.87368602883276      3.37777218595307
  O   -2.72861419971966     -2.96856094929427      3.87713757587732
  C   -1.39587318972634     -1.10889691937140      4.26567066100358
  F   -1.53203141406900     -1.53224545627150      5.54900784955285
  S   -0.27118137444539     -0.00047571582864      3.89096978391305
  C   -6.95220934426383     -5.04968422704329      3.70790229432044
  C   -7.87074317792895     -5.95426661549527      4.29239361816692
  C   -9.01633394036302     -5.51642949637093      4.93652476081495
  C   -9.29619642086901     -4.14710482841764      4.98313965558329
  F   -10.40337721838949     -3.73063694532978      5.62960255003730
  C   -8.46934433257237     -3.22234299596777      4.38606133845958
  C   -7.29232409265648     -3.65317964576237      3.73826423986943
  C   -6.47701797676485     -2.70255127491874      3.03064610753693
  O   -5.30418601819007     -2.93706734455236      2.62668564855610
  C   -6.99186715597159     -1.36179214092554      2.59921656937611
  F   -6.06760579477048     -0.40447560590863      2.82724160262881
  S   -8.36116086112309     -1.07495488922286      1.80244573971183
  C   -2.20749686486999     -5.21803439534970      5.57454805802984
  C   -0.86920301354836     -5.51706128157062      5.93066552333422
  C   -0.33151553435847     -5.13894940144486      7.14865902873881
  C   -1.14476960957663     -4.46134698061728      8.05996354083984
  F   -0.61834212803225     -4.06991769953250      9.23989868177617
  C   -2.45946360001221     -4.16237172923672      7.77772315050360
  C   -3.01738602265768     -4.52736511215288      6.53444781891337
  C   -4.38040883849178     -4.16799566773488      6.22741548616774
  O   -4.75944469381107     -3.93782237296881      5.00458180137812
  C   -5.42396728254290     -4.05234042915574      7.23360846521636
  F   -6.49471681751296     -3.35320895839993      6.75798305846712
  S   -5.50336526954489     -4.73314329727621      8.71652319079537
  H   -3.60388935726023     -2.79149099944264     -0.98320606801934
  H   -3.46532891316573     -0.42904680684376     -1.62457127812987
  H   -2.33064101453983      0.65143694568019      2.36467657899191
  H   -7.64622120835006     -7.01910045800151      4.29036570967597
  H   -9.69124963518003     -6.22161892440135      5.42283017972840
  H   -8.72139741415173     -2.16497771398860      4.43824962228596
  H   -0.21818653977857     -6.01269740245763      5.21388896855822
  H   0.71134931335943     -5.34188412075765      7.39268459247090
  H   -3.04965249596316     -3.61066183035300      8.50544199180705
  N   -5.05492809253312     -8.07556653173757      5.70077464888627
  H   -5.86445163156624     -8.65347617876242      5.94458510681850
  H   -5.21378132974254     -7.17572512480755      6.16410986962708
  H   -4.26486790833800     -8.49780284228160      6.19703166529407
