71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670658-UWRl/orca
  N   -2.94677963954003     -3.60829757716576      1.90306403982028
  C   -2.82890840358179     -4.29594822620030      0.63323302941274
  C   -2.54080903473771     -5.76202085742881      0.91431259197606
  N   -3.36744880312333     -6.22705285649269      2.06401386616334
  C   -4.42978987220827     -7.16814948273070      1.60457994683991
  C   -5.49858703146693     -7.21097648909948      2.66823771834673
  N   -5.81025476954783     -5.81918461388507      2.96226061016504
  Mo  -4.30563334057916     -4.41213133366675      3.20736009487120
  N   -2.84943363031913     -4.98275498438809      4.49020737265070
  C   -1.80733076209242     -5.84853133669069      3.93617320986278
  C   -2.49541910870024     -6.89143818853602      3.08313204936483
  H   -1.24374148084227     -6.35877422710638      4.73138043720100
  H   -1.08736707719696     -5.25447758327424      3.34389637273738
  H   -3.13401432748737     -7.50895839079802      3.72721931730359
  H   -1.77423554136728     -7.55217862247408      2.57686604063378
  H   -6.38741908121190     -7.73445958527342      2.28556182441525
  H   -5.15758298385675     -7.75773156803572      3.56638814928043
  H   -4.85706239258317     -6.76089808304973      0.67930189151115
  H   -3.99423830546422     -8.15851293611435      1.39560210728635
  H   -2.01717717207791     -3.87937824819604      0.01725369755555
  H   -4.80690456351281     -3.49573287625320      0.23903636431193
  H   -1.47705282587893     -5.84357112635580      1.17094261838168
  H   -2.72049020279297     -6.40317517669635      0.03913655967765
  C   -2.04340131558839     -2.57686390669353      2.16266523421095
  C   -0.77332579953937     -2.57065518147540      1.53310820056770
  C   0.14735939594280     -1.55967716012217      1.74434774372499
  C   -0.16171276493429     -0.49876517488185      2.60800609001723
  C   -1.37992310145644     -0.48439543599524      3.25811304085906
  C   -2.34436501263717     -1.50574411790552      3.07606682758550
  C   -3.57600900446443     -1.51039670303229      3.82248626242669
  O   -4.26971146350824     -2.61449723199485      3.89535250502132
  C   -4.16708109954917     -0.40930442026166      4.56097983496438
  F   -5.21667376883858     -0.86476836210281      5.32389656456787
  S   -3.84962774200653      1.19107611925978      4.57222127311255
  C   -7.10174674052987     -5.50507574115510      3.32951358449926
  C   -7.88926401114822     -6.40876430055571      4.07399631807253
  C   -9.15134604024077     -6.05240983264188      4.52415387021830
  C   -9.68332487866307     -4.78704563076158      4.22974355600345
  C   -8.97351831575960     -3.91513042182922      3.42174429993154
  C   -7.69250408929545     -4.25327580867662      2.93012145290083
  C   -6.99374958008480     -3.46551064138100      1.92995761778778
  O   -5.72344719796608     -3.49840176929784      1.82801525488755
  C   -7.66871950086369     -2.70533661795588      0.85648147823353
  F   -9.01385530667673     -2.62753907265381      0.99132277755204
  S   -6.92868048693799     -2.04076437552306     -0.43304774518040
  C   -2.58730609900094     -4.33967812253091      5.68134312066356
  C   -1.26322883441553     -4.18357267284007      6.15413178499791
  C   -0.98786527535689     -3.45800871639243      7.30316690887240
  C   -2.01848170823119     -2.88192869735702      8.06322598487085
  C   -3.32757484237319     -3.07287582488386      7.66750129104098
  C   -3.64492288946599     -3.79261871999543      6.49168330648578
  C   -5.02212235327927     -4.06202816349648      6.18434224039670
  O   -5.47210588172964     -4.45487955095772      5.07654293094673
  C   -6.08748703393303     -4.01168586284522      7.25131484586802
  F   -7.11888693284803     -3.24218877374498      6.85956322519940
  S   -6.09867983165278     -4.88336491440315      8.60082479856494
  H   -0.47561129087286     -3.40410364008988      0.89810097142800
  H   1.11983167193539     -1.60815451367849      1.25248801013454
  H   0.56091485841938      0.29712042724603      2.78927047156195
  H   -1.61749327682730      0.32445364681134      3.94471190006005
  H   -7.46609801519200     -7.37240522519711      4.35764351037291
  H   -9.71885317191705     -6.75291115514108      5.13889369561355
  H   -10.65653882110652     -4.49467182541817      4.62374107065443
  H   -9.39958350206743     -2.94575666682173      3.17596011788744
  H   -0.43351045510087     -4.58069820662513      5.57251140171056
  H   0.05156131179365     -3.32095063289661      7.60586256534592
  H   -1.79044124528860     -2.29927194271791      8.95505461815110
  H   -4.13923777608879     -2.64609423589891      8.25591908586901
  N   -4.05662839901320     -4.08330692241484     -0.17112957573820
  N   -4.22512646673302     -4.49043658600961     -1.38386603561366
  H   -3.38951756473794     -5.03336234415071     -1.66584419707961
