89
Coordinates from ORCA-job /scratch/magstr/orcajob__5668033-XVtU/orca
  N   -3.38094446889799     -3.51279774886711      2.35890660545098
  C   -3.61137091670582     -4.43799299714116      1.25424611074781
  C   -2.76005821258204     -5.66512775913714      1.53692872634243
  N   -3.14651919745062     -6.16693666446311      2.85996327251601
  C   -4.31195604803671     -7.06516413866410      2.80553518823950
  C   -5.16038759048973     -6.77983075031681      4.02098495588709
  N   -5.44899561763832     -5.34419852539479      4.02591466549694
  Mo  -3.87578321321385     -4.07834123813447      4.21413909508850
  N   -2.28529593610769     -4.87345683292310      5.10271848012809
  C   -1.30423924650404     -5.61753468403774      4.30657618300265
  C   -2.03031043218258     -6.74590882762011      3.61304337895268
  H   -0.50087832379414     -6.01801455852153      4.93891695903931
  H   -0.82893348285509     -4.94916406452129      3.56820686891189
  H   -2.43686201571923     -7.43112165562715      4.36942933379480
  H   -1.36010210100360     -7.31743067242521      2.94815470933656
  H   -6.08056401006487     -7.37675310972905      3.98835340304160
  H   -4.63373476383247     -7.06623899201226      4.94985741086015
  H   -4.89287044840971     -6.83961188482605      1.90145215851799
  H   -3.98707937853726     -8.11846609110905      2.75289873827625
  H   -3.32927333036572     -3.99958712906531      0.28805182618587
  H   -4.67810588729493     -4.70832349626015      1.19235310924778
  H   -1.70449759719183     -5.36314541991189      1.55863777954269
  H   -2.88711221985473     -6.44775231565497      0.77001537431409
  C   -2.78315365060546     -2.23022267932149      1.94445801202037
  C   -3.66343771337424     -1.44971956852278      0.93401148313501
  C   -3.21966128196969     -0.02736111178962      0.80263834534699
  S   -2.49152400784634      0.61794163866350     -0.52308291337990
  C   -3.48130334022710      0.87761307250754      1.95915729909886
  O   -4.07536331788752      0.53074402824245      2.97208952514204
  C   -1.35756815922613     -2.47471004259385      1.46311474170435
  C   -1.00415793782465     -2.64825396790716      0.11921786898956
  C   0.31790261777389     -2.93183372593675     -0.23607547928109
  C   1.31229173136501     -3.04323792241135      0.73661598944243
  C   0.94447526287777     -2.85226032042466      2.06458330269731
  F   1.90135458673619     -2.94475601926462      3.02941987885420
  C   -0.35978573608648     -2.57278555020295      2.44477386253266
  C   -6.88924199328493     -4.97818477833772      4.09843309509071
  C   -7.34293386725280     -4.46778330480283      2.71883692686469
  C   -6.92021637195419     -3.06714734365010      2.35154354057208
  S   -7.43635168383850     -2.39334343110836      0.88480033981634
  C   -6.14064416489410     -2.25981718379773      3.19604647917015
  O   -5.42728971752898     -2.64127238137447      4.21700969104975
  C   -7.78598428128474     -6.08511951690632      4.63692278786195
  C   -7.82881603002437     -6.31468449168388      6.01910496650657
  C   -8.61946061094558     -7.33557927322033      6.54713795371305
  C   -9.39168380107286     -8.14673220299485      5.71162274442116
  C   -9.34173389560170     -7.89962475935859      4.34562168777777
  F   -10.08741458165774     -8.67516233825580      3.50888955631530
  C   -8.55936924790382     -6.89368854817510      3.79063145587131
  C   -1.92558898230288     -4.68930957106512      6.53011024583862
  C   -2.64201614700857     -5.74449835140292      7.37859091010342
  C   -4.11882647483484     -5.48375521450787      7.51781598718864
  S   -4.91250449962755     -4.25447111389502      6.66012039735459
  C   -4.83357632320943     -6.24077553293971      8.51820774001845
  O   -6.04337921960723     -6.16274586974220      8.78465064076716
  C   -0.42463513317558     -4.61024418453869      6.76452186544692
  C   0.27357056358642     -3.46941537819799      6.34353689848551
  C   1.65343338502103     -3.36641968615981      6.51343249379296
  C   2.37325477940718     -4.40010557463601      7.11696602137128
  C   1.66730900760327     -5.52031545815579      7.53620849480863
  F   2.34356048323233     -6.53987233372248      8.12864116288322
  C   0.29224594508127     -5.64911913052310      7.37244361207884
  H   -2.71792333872325     -1.64330326757625      2.86857775771997
  H   -4.69391190595318     -1.45476899935245      1.32278684749492
  H   -3.67805052358576     -1.92146446954638     -0.05549963143591
  H   -3.09936122431394      1.91533990731255      1.81969459762890
  H   -1.74941465503402     -2.53687438744249     -0.66763265492062
  H   0.57968182386242     -3.05963807589127     -1.28745355853029
  H   2.34978734986278     -3.25889636280143      0.48119104440174
  H   -0.60982005195930     -2.43079965628399      3.49633396569331
  H   -6.97245154852017     -4.15289800153306      4.81700387198091
  H   -7.02846663167364     -5.17199052903639      1.92991115083030
  H   -8.44507860168884     -4.46751128720085      2.69226404348174
  H   -6.12098075373425     -1.17880887600960      2.98551690787090
  H   -7.22590455505732     -5.70321789304683      6.69361109992298
  H   -8.63112235974369     -7.49828232351626      7.62582602445242
  H   -10.02227531254941     -8.94653714585370      6.10040527358403
  H   -8.56613548465237     -6.76016383977229      2.70870785425877
  H   -2.35331586648573     -3.72105147701914      6.83595530271088
  H   -2.44902824762136     -6.75237459047040      6.96692121443209
  H   -2.20002073012280     -5.74389055373446      8.39041792441907
  H   -4.18586580997669     -6.95987263733796      9.08253183180574
  H   -0.26628708328936     -2.64785566487745      5.87007963920174
  H   2.17761228881792     -2.47320340878964      6.17171368593428
  H   3.45155036346553     -4.34434096448771      7.26517571306045
  H   -0.19467546445941     -6.56085581259463      7.71768672179712
  N   -3.05920134917657     -2.36322880549469      4.87304271453989
  H   -2.31017191045754     -2.29559121823519      5.56000926788481
  H   -3.69878916912236     -1.57227398092859      4.96134544538514
