90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668036-KypI/orca
  N   -3.22130467197390     -3.90929019952406      2.50575489239889
  C   -2.87207408466217     -4.85777328657580      1.44806381112920
  C   -2.19181076624981     -6.03968517593281      2.08435669902179
  N   -3.04503808809823     -6.48087198668405      3.22104627166387
  C   -4.21940295398789     -7.21169076254892      2.66135802175614
  C   -5.41022767558040     -7.01879449497240      3.55591170020494
  N   -5.48434760407100     -5.61279662792764      3.89125119682089
  Mo  -3.61453392817418     -4.55609394827374      4.39482275423336
  N   -1.79424475887684     -5.16135266929552      5.08591102783471
  C   -1.28499712799495     -6.52144397730640      4.88504062420251
  C   -2.29272611370070     -7.36138526718032      4.14079553078816
  H   -1.06678138585020     -7.00376991137051      5.85152476227776
  H   -0.31906091652801     -6.47981848560717      4.34933216769695
  H   -3.01348291830222     -7.80835739074965      4.83402354176399
  H   -1.80818868269159     -8.16814862776722      3.56669596223664
  H   -6.32631143175252     -7.36466111676582      3.05696809384626
  H   -5.32649576721047     -7.62457565229704      4.47939901050272
  H   -4.44499782341446     -6.79739493994663      1.67273585252130
  H   -3.95601571955405     -8.27273022702840      2.53630767132949
  H   -2.18325245801983     -4.38994706402873      0.72674813540325
  H   -3.76386318413719     -5.16225022123042      0.86987226138143
  H   -1.21205695934780     -5.74744834593883      2.47786953269850
  H   -2.05179135663542     -6.87957473280231      1.38453331954477
  C   -3.14870208697341     -2.53087227352061      2.00345185615989
  C   -4.09422128751087     -2.33876182253588      0.78371111004248
  C   -4.69486179902097     -0.97447966303331      0.54082272217155
  S   -5.07359042692544     -0.46440984543433     -0.97392215522066
  C   -4.91445589098773      0.04080788118401      1.63375498309976
  O   -4.25027351938800      0.10229181995024      2.66583491253612
  C   -1.71092448753470     -2.09585861362954      1.72012836438497
  C   -1.42749397382622     -0.99939428292263      0.89474954021145
  C   -0.11138916047055     -0.57727370910531      0.69468351743282
  C   0.95726307206885     -1.23832140464235      1.30290055432418
  C   0.65996472495347     -2.32798680787890      2.10944455597947
  F   1.67722054273233     -3.00522241687563      2.71058071578370
  C   -0.63949004799910     -2.76698431012966      2.33169185219120
  C   -6.83353732927929     -5.04423880422088      4.06579856059655
  C   -7.16244853182039     -4.16908272217280      2.82737583333866
  C   -6.71310068306945     -2.73812464755521      2.95194735301936
  S   -7.34714067945013     -1.55515427473434      1.92589120060833
  C   -5.78567379089357     -2.32686615334761      3.91897390717410
  O   -5.01814337424178     -3.11061759098089      4.62176974575932
  C   -7.89938570204067     -6.08037225002464      4.37630625357740
  C   -8.10448019468010     -6.44504154519155      5.71338756896488
  C   -9.07286628314438     -7.39266455100435      6.04885374847494
  C   -9.85142347096363     -7.99520349168938      5.05883877986564
  C   -9.63655514312061     -7.61644973678745      3.73846766100023
  F   -10.38561619948951     -8.18432766796503      2.76105469685494
  C   -8.68195530612734     -6.67314019918104      3.37559872938989
  C   -1.23014122899335     -4.53468098132368      6.31477555006634
  C   -2.29761454998786     -4.66364900841693      7.41224565296181
  C   -3.70335498167062     -4.53111526924163      6.83261909411828
  S   -4.47980568268289     -5.95778351943547      6.27599789412592
  C   -4.54602527081746     -3.42606562606864      7.34062521411658
  O   -5.76348374940081     -3.36902522486882      7.29550979955531
  C   0.16671460936318     -5.01985392567922      6.66853368642360
  C   1.22798831022812     -4.62737722144422      5.83845662184194
  C   2.53135601625402     -5.04660386497192      6.10036723667063
  C   2.80744951011918     -5.85726050297358      7.20418255089682
  C   1.74697510968880     -6.22295183526947      8.02324310652937
  F   1.99159801476952     -6.99978759169681      9.10689441956248
  C   0.43478229686180     -5.82538257735586      7.78025752169266
  H   -3.54820725396364     -1.84939401404955      2.75720199615936
  H   -4.96278567411031     -2.99705387950080      0.95610936574450
  H   -3.62486634851365     -2.68071465853050     -0.14865907979416
  H   -5.62663963386663      0.84007578786274      1.34269937627428
  H   -2.23169913486010     -0.46128131583182      0.39500030922562
  H   0.08657321318268      0.28033539430542      0.05050283599790
  H   1.99120812256815     -0.92819676258399      1.15333314645024
  H   -0.80561830256790     -3.64196081802078      2.96338018794191
  H   -6.78202811129821     -4.38986263291629      4.94535598949284
  H   -6.75124049658280     -4.62567458631066      1.91098434750936
  H   -8.25392576030241     -4.15085218479180      2.68767715010864
  H   -5.69906055157666     -1.25287867976381      4.13025665629173
  H   -7.50724040757544     -5.96954835915325      6.49330345810717
  H   -9.23286907742953     -7.65966047093697      7.09422779830779
  H   -10.61754478712058     -8.73334235046751      5.29610925854182
  H   -8.57412904360966     -6.41303698196876      2.32157190509809
  H   -1.07432502352705     -3.47056961244230      6.11568770352209
  H   -2.23024972239339     -5.64470429400406      7.90227585145652
  H   -2.12818500465340     -3.90511896070623      8.19390398333491
  H   -3.95423449080340     -2.59076094442817      7.79856711759276
  H   1.03182786854440     -3.98656443975648      4.97641926338834
  H   3.34530176754951     -4.73417743578125      5.44482583674281
  H   3.81801214775982     -6.19241186716582      7.43724353686161
  H   -0.34419822937150     -6.14997389947566      8.46973693247832
  N   -2.58114895298151     -2.52332080551877      4.85512903447591
  H   -3.15276415316549     -1.78368637531495      4.44042676752195
  H   -1.63674521184709     -2.43075033259358      4.46551219559146
  H   -2.54156574519756     -2.30599417622311      5.85169331803438
