90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668040-ShZD/orca
  N   -2.91483809679399     -3.75913400219384      2.49650178983725
  C   -2.55961864312627     -4.73345717381188      1.46803410991779
  C   -2.02492880106645     -5.96449349455268      2.14796055403311
  N   -3.02151768328269     -6.37466246944431      3.16984191996436
  C   -4.18563028891714     -7.03126520224942      2.51559602117352
  C   -5.37764477081729     -6.84726840811052      3.40956619189403
  N   -5.43836897288453     -5.43561057287126      3.77266226917396
  Mo  -3.65489905240706     -4.45364651282349      4.23041717934619
  N   -2.13808291936374     -5.26678879119014      5.37622444106954
  C   -1.57285703018130     -6.59299902295618      5.10328921777338
  C   -2.45286766802969     -7.33585917235762      4.14255720687532
  H   -1.49738678852728     -7.17454986279550      6.03764931334741
  H   -0.54085396771646     -6.49817718559925      4.72582151994994
  H   -3.29119156356630     -7.79193543465084      4.68292376900254
  H   -1.90778895481680     -8.12594674692336      3.60149863975323
  H   -6.28231389592782     -7.15386748755133      2.86798561082614
  H   -5.32933170656487     -7.50156970106137      4.30177691383880
  H   -4.37022132507670     -6.55379546511619      1.54671508602430
  H   -3.94863771029985     -8.09285785791740      2.34223520311371
  H   -1.79191682503189     -4.33734056506371      0.78831595984339
  H   -3.43785175532416     -4.97561827719650      0.83942626270112
  H   -1.08077054649131     -5.72998383794458      2.65767096723666
  H   -1.84794845627711     -6.79152827789093      1.44062628485460
  C   -2.86036115552663     -2.35224678594479      2.03955179518409
  C   -4.14691397936323     -2.02236555550759      1.22002882783173
  C   -4.28399655723823     -0.58666604809996      0.82130624719880
  S   -4.34384145518789     -0.02934867429499     -0.71462064623215
  C   -4.42020491176518      0.42621023109835      1.92487766180772
  O   -4.37126099920758      0.13534547647853      3.10779102808874
  C   -1.55071108753648     -2.08707464617251      1.30791276079767
  C   -1.42994894239798     -2.03030242772067     -0.08570345964431
  C   -0.16663571875895     -1.98752185796495     -0.68538127566906
  C   0.99742940738603     -2.03428402000577      0.08336507085727
  C   0.85768854295861     -2.09161704223283      1.46638189890963
  F   1.96963032066663     -2.14826256484759      2.24887350231662
  C   -0.38304125355188     -2.08678868927851      2.08292289201068
  C   -6.82846348907063     -4.94869870284789      4.07523483276699
  C   -7.26472507057484     -3.83783488293710      3.08497773790238
  C   -7.17827515452909     -2.46840523193383      3.69395570494557
  S   -8.25996889155682     -1.24721694644601      3.43471141602949
  C   -6.01245194948096     -2.22216320777961      4.49710945115690
  O   -5.04750803767018     -3.03324477132722      4.50057004257082
  C   -7.87514523083489     -6.04897144072471      4.17159814988885
  C   -8.16544919301480     -6.60148175487246      5.42548668932551
  C   -9.12126703337815     -7.61175110845214      5.55635390590724
  C   -9.80577745750359     -8.09175670141692      4.43953270677779
  C   -9.51043409531152     -7.52742164871164      3.20286709856222
  F   -10.16857215610443     -7.97390028014314      2.10330129855680
  C   -8.56836823295206     -6.51920995216780      3.04543102169317
  C   -1.67361501269434     -4.78928833915406      6.66564009807708
  C   -2.43536596770517     -5.47325057157044      7.88847264172867
  C   -3.87563413500508     -5.21394602848662      7.72612148495968
  S   -4.74126070849392     -6.02025904665170      6.57274016728899
  C   -4.44890879854007     -4.03243860181458      8.43288276684447
  O   -5.54718572322466     -3.55162805471628      8.21551531720361
  C   -0.14924837942872     -4.87622706855480      6.80183747637508
  C   0.65245666898552     -4.49641296880446      5.70756091502682
  C   2.04341665939428     -4.46606089189282      5.80131710943556
  C   2.67859569708989     -4.83435249135012      6.98757928660677
  C   1.87813732699041     -5.24097425205075      8.04832218514393
  F   2.46815167972157     -5.62463090376945      9.20346407459036
  C   0.48685415654272     -5.27252298774882      7.98153575300757
  H   -2.90199961674353     -1.73711643298563      2.94453125995956
  H   -4.99250805531917     -2.25214791685437      1.88622155895120
  H   -4.22065388131971     -2.66609678883158      0.33485727878362
  H   -4.57760223755770      1.46902062588444      1.56736018731254
  H   -2.31738777464774     -2.02776822505266     -0.71851784897155
  H   -0.08712448470125     -1.93511269122177     -1.77199518300933
  H   1.98886442621557     -2.02569952452732     -0.36931470242157
  H   -0.45465714562769     -2.12224619449958      3.16759117233992
  H   -6.78912880367421     -4.51668849577255      5.08632834377818
  H   -6.62078110251959     -3.87579196353266      2.18777070711963
  H   -8.29169610676224     -3.99508504194565      2.73673364085544
  H   -5.91702663362731     -1.28172628716859      5.05942603869295
  H   -7.64109699134574     -6.22710015303503      6.30602408529837
  H   -9.34364543411102     -8.02475654768876      6.54110653880232
  H   -10.56030220903051     -8.87463115087904      4.51568953170469
  H   -8.39189434038306     -6.11652249393570      2.04678759677435
  H   -1.95445238978234     -3.73861666296999      6.77486085062569
  H   -2.20308549985158     -6.54680301591529      7.90142780247745
  H   -2.04847920120700     -4.99872756766674      8.80240339129071
  H   -3.76955454991397     -3.59082284921570      9.20459837774065
  H   0.19519791068881     -4.29047974271240      4.73608518872354
  H   2.63557356943410     -4.16215121471183      4.93579949330495
  H   3.76326004356393     -4.82435242559173      7.09193372683685
  H   -0.06308208062534     -5.60083361682217      8.86201674079961
  N   -2.82726688159192     -2.63654054324790      4.93332828361205
  N   -1.62481432623375     -2.31487896306837      5.16073562662825
  H   -1.42437664623183     -1.31135215094183      5.27442661512871
  H   -0.82341681673092     -2.95099100199826      5.31975362948077
