69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca
  N   -2.81771370143975     -3.56399903656818      1.83580519649249
  C   -2.99952871626298     -4.43239713727074      0.67607062031322
  C   -2.38257256894482     -5.78559005223354      1.02542782482621
  N   -3.18342187489724     -6.27349165261431      2.18809791812079
  C   -4.20857470430229     -7.26563174683344      1.77548255490164
  C   -5.41134611884371     -7.16509541532704      2.67923318837192
  N   -5.89378467100622     -5.78708453224528      2.71366865301612
  Mo  -4.35907929470114     -4.29306776205631      2.94597885226897
  N   -2.88446599147315     -4.77954664282077      4.40954744516228
  C   -1.74329839352906     -5.57489374689499      3.98472269444658
  C   -2.31901508934877     -6.77594955952802      3.26884822762821
  H   -1.15291771226233     -5.91019002351742      4.84973506549916
  H   -1.06452405081912     -5.01408820565057      3.31606337113156
  H   -2.94135645416955     -7.34904723598342      3.96922952823007
  H   -1.53700675128982     -7.43918970705308      2.86244424966007
  H   -6.18530605155452     -7.83854339870983      2.27925982614858
  H   -5.17192832288244     -7.51785552407144      3.70243233104983
  H   -4.50932835866611     -7.01577984223241      0.75415111677915
  H   -3.77635516873725     -8.28047692698163      1.80073027351083
  H   -2.62075891250089     -4.01882465519523     -0.27626784048063
  H   -4.88186139703081     -3.77749658674808      0.44307554394461
  H   -1.32684928359225     -5.69017074115993      1.30749563618781
  H   -2.46440416995585     -6.49308707569075      0.18866357013489
  C   -1.85863811784077     -2.62941980542071      1.98471498504234
  C   -0.76971967226926     -2.58505100385434      1.06550020467540
  C   0.23656977683882     -1.65363270333011      1.19506205364045
  C   0.18915727782748     -0.69680638445423      2.23108105730041
  C   -0.86261336755534     -0.69899725898257      3.12173861933789
  C   -1.91249904399817     -1.65306101012288      3.05104621487296
  C   -3.05546721532444     -1.61787257943409      3.91986877243075
  O   -4.05645756205725     -2.43341988146635      3.79977671539334
  C   -3.25427790264233     -0.65392843028304      5.01433230536032
  F   -4.58271901365674     -0.53665649681017      5.30247521880321
  S   -2.18440795718343      0.14263783622918      5.95704833224204
  C   -7.19951140147330     -5.58856258194415      3.01187092896411
  C   -7.99939314340968     -6.65449200608074      3.53015061351353
  C   -9.32579481457742     -6.48575191106851      3.86141548505332
  C   -9.95904495427280     -5.23816646141278      3.69431218995397
  C   -9.23445914960551     -4.18609690512646      3.18464310544656
  C   -7.86434890989948     -4.30869749227418      2.81914557021015
  C   -7.16166570767056     -3.16776998513048      2.32175484572754
  O   -5.87730115439091     -3.08490664949832      2.27132199365731
  C   -7.81690834179729     -1.93882156817638      1.83117368078180
  F   -9.05513687851783     -2.16022476929092      1.29476859223693
  S   -7.18757492183836     -0.44033185667858      1.82321057980975
  C   -2.72501972431758     -4.06268908513448      5.58221209784541
  C   -1.43911638787308     -3.72162801276728      6.06459829716906
  C   -1.26893245366034     -2.97634942712488      7.22447228544607
  C   -2.38005564365017     -2.54116054559978      7.95706622163855
  C   -3.65345561109735     -2.87855058434131      7.52104959404785
  C   -3.85789738434737     -3.64051663177075      6.35729731254661
  C   -5.18149432035228     -4.05300522698156      5.92908278562537
  O   -5.43116739965923     -4.39725400392200      4.71657884980332
  C   -6.31164397065066     -4.22823658130947      6.84707670999380
  F   -7.47789928336917     -4.36680562394512      6.15506342697506
  S   -6.34399430029071     -4.38201316449519      8.47423844420879
  H   -0.72308611416244     -3.32168669263841      0.26469695438884
  H   1.06994890821270     -1.65888098399383      0.49019324622363
  H   0.97621188965691      0.05227319795709      2.32234585804135
  H   -0.89867086233383      0.04592791396729      3.91248273558403
  H   -7.53617130009142     -7.61639459019491      3.73585812845769
  H   -9.87832967627348     -7.32559431042107      4.28742810182816
  H   -10.99872448061807     -5.09825196785273      3.98986527503813
  H   -9.71507701947826     -3.21530824949073      3.09411886024056
  H   -0.56088145229700     -3.99292166315446      5.48111027323644
  H   -0.26071719768308     -2.70726341619540      7.54303747771588
  H   -2.25178212264355     -1.93024179947888      8.85027038722555
  H   -4.52163261121193     -2.53007403382321      8.07469489631309
  N   -4.43023754828331     -4.64508740529109      0.75728386860783
