95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655534-HiWW/orca
  N   -3.79300831343036     -3.54630958689478      2.55822516713422
  C   -3.41551874319886     -4.38623205934405      1.41182843701496
  C   -2.80351056854338     -5.68946229650658      1.89446930308177
  N   -3.58597118991798     -6.22890124233879      3.03827997131816
  C   -4.87084659624204     -6.85144681484329      2.62578780935968
  C   -5.83552848958939     -6.75415530307484      3.80062224691207
  N   -5.77033387950674     -5.38620086996113      4.32651256405051
  Mo  -4.06159403063791     -4.41229873603776      4.29181220689593
  N   -2.46748046474273     -5.14129759379513      5.19137713903675
  C   -1.81437769989261     -6.36084303664856      4.71828076921121
  C   -2.79082244595486     -7.15790636619441      3.88154816290651
  H   -1.48828940202767     -6.98021394914366      5.56822014071042
  H   -0.90386115356976     -6.10746187477128      4.14512105625155
  H   -3.48895893208550     -7.68225477062117      4.54619900540690
  H   -2.28077524740788     -7.90923884577042      3.25662564353942
  H   -6.85148100267804     -7.00491207533267      3.46502082824210
  H   -5.57130423889390     -7.47719354129072      4.59002868445642
  H   -5.26759424032326     -6.27309271622281      1.78116482788925
  H   -4.70982059428048     -7.89172332351566      2.29673321832349
  H   -2.67292571286008     -3.87605127091267      0.77986028217251
  H   -4.29995303913217     -4.57579832748684      0.77667251862251
  H   -1.78685750325081     -5.48988279532308      2.25834643487605
  H   -2.74194597581300     -6.43128765474233      1.08063513787627
  C   -4.50093300084761     -1.79745040217802      0.90122363768201
  C   -3.93355306904254     -2.09850159042249      2.28843850639982
  C   -2.60621226168879     -1.34017724347851      2.58168772024536
  C   -1.39047270229022     -1.91813122320932      1.91252527847547
  C   -0.61800478131023     -2.88172072678015      2.57914960310091
  C   0.46942681103164     -3.48954677310978      1.95689256897003
  C   0.82450027684557     -3.14203339161529      0.64611947697106
  C   2.00459112931562     -3.77486542433043     -0.01669648466477
  Cl  3.54600562640132     -2.89409829923378      0.40382875629457
  C   0.07245399914960     -2.16234857206075     -0.01586139005127
  C   -1.01841036073016     -1.55822974080381      0.60872163984213
  C   -8.03842997696486     -5.32545466026367      5.33096735148110
  C   -7.04142049561698     -4.64382576995848      4.39073240336099
  C   -7.62262038717808     -4.38781304841562      2.97514744153035
  C   -8.66837529983899     -3.30616673847373      2.98854929925583
  C   -10.03640799912132     -3.60690121232573      3.01226441308907
  C   -10.99014840916837     -2.59161501052429      3.07684446954507
  C   -10.59999943350838     -1.24735606160885      3.11698965623817
  C   -11.61969675112669     -0.15974495293124      3.20847011877924
  Cl  -11.93357660043609      0.29642788381938      4.94886491777348
  C   -9.23219562772899     -0.94140853267079      3.08188087071301
  C   -8.28194452364264     -1.95718362370682      3.01929085145350
  C   -0.27702921027867     -4.62146289124288      6.33174984002880
  C   -1.79278635273731     -4.43001670008688      6.30094179303662
  C   -2.47801107100352     -4.78948249344527      7.66288217271674
  C   -2.78901816077184     -6.25194317321933      7.80899982160422
  C   -1.82463433462915     -7.18317805346537      8.22126879095654
  C   -2.09436494780721     -8.55206569349094      8.19113709190417
  C   -3.34284445275226     -9.02401947929120      7.76621612588640
  C   -3.60893484444111    -10.48723539726111      7.64832793534703
  Cl  -3.38865185741503    -11.03513076071207      5.91262931125843
  C   -4.33272633102700     -8.09348537432887      7.42030221174241
  C   -4.05696817108054     -6.72958896909746      7.43966682565171
  H   -5.45045441828968     -2.32767417695980      0.74014514417632
  H   -4.69915415652931     -0.71984993621520      0.82068374639961
  H   -3.81039672070377     -2.07032922969413      0.09238636667081
  H   -4.66231479063278     -1.71849537010927      3.02028590619804
  H   -2.74861326804935     -0.28883016036621      2.28689463072734
  H   -2.45356251002179     -1.35701628078408      3.67205102973926
  H   -0.88164206925244     -3.15463281960932      3.60271064645448
  H   1.06517779798656     -4.23087083729499      2.49560442911975
  H   1.93244284144919     -3.73940187477596     -1.10906105723862
  H   2.16054979445345     -4.80824792866684      0.31239796039986
  H   0.35238395602242     -1.86516766589711     -1.02890964980835
  H   -1.58681445109376     -0.79201988782435      0.07719412960308
  H   -8.94008497001908     -4.70463888653164      5.42071596737520
  H   -8.34298642881366     -6.31161435144771      4.95222548200065
  H   -7.60177431157179     -5.45127902312745      6.33076347522403
  H   -6.80395423106896     -3.65965512070553      4.82029705707116
  H   -6.78635051178579     -4.08308779068928      2.32580104164066
  H   -8.04548681747336     -5.31893438436872      2.56766093513755
  H   -10.35843529928945     -4.65012038885896      2.97598982267442
  H   -12.05260934133268     -2.84388662171303      3.09694123990981
  H   -11.28791121182403      0.76314811917601      2.72045567514161
  H   -12.59045227251361     -0.46643175747658      2.80469367116148
  H   -8.91545596853538      0.10379048797416      3.10377655891450
  H   -7.21906761877533     -1.70216750556044      2.98169556499753
  H   0.14554185267358     -3.96559453440833      7.10465118382628
  H   0.18197519567659     -4.34536070424106      5.37211546873168
  H   0.01764320453376     -5.65194598074415      6.57026447135197
  H   -1.97943210965668     -3.35603013594794      6.14722394296726
  H   -3.41229694440070     -4.21392310999619      7.72681805861065
  H   -1.81624142457234     -4.43816082801231      8.46884531614205
  H   -0.84542603402870     -6.83484041456617      8.55654894300081
  H   -1.32413207327670     -9.26548107831529      8.49219185066178
  H   -4.64102513131143    -10.75182675138293      7.90231997022699
  H   -2.91048871228907    -11.09089284958072      8.23682907748619
  H   -5.32260198928357     -8.44758640465916      7.12196419325327
  H   -4.83278556099753     -6.01498008913615      7.15604323259715
  N   -4.45502889122384     -2.95830774540746      5.34578129700568
  N   -4.68319620363675     -2.06881910577085      6.15868816635984
  H   -4.98139116512155     -1.17150272560822      5.72472847218096
