78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670593-nTnk/orca
  N   -3.34733013639366     -3.64940641148997      3.11438163240436
  C   -2.75558548374806     -4.39100120377237      2.00027764958907
  C   -2.32862927163078     -5.76837756267015      2.45788450971724
  N   -3.38069121149362     -6.34822818892211      3.33120640727873
  C   -4.61489414483449     -6.64532957758286      2.53301816780197
  C   -5.84555352511291     -6.33969031539509      3.36259694499805
  N   -5.66367290726970     -5.10672105211192      4.12690644799351
  Mo  -3.76267433466172     -4.73685984625517      4.88209398935938
  N   -2.59808810964675     -6.23044248288352      5.91916713888282
  C   -1.93485871474414     -7.22952686654421      5.09025741970296
  C   -2.89417383023061     -7.59045019851253      3.98279531543796
  H   -1.70309539057761     -8.13508393487587      5.67337439142279
  H   -0.97449798766119     -6.85911992602655      4.68323543172784
  H   -3.76874082382808     -8.09685321482540      4.41382584052212
  H   -2.43290988612010     -8.25894148301442      3.23547401376367
  H   -6.73476183207259     -6.30559272564096      2.71376419336335
  H   -6.02014052390805     -7.15979392051619      4.08526558821263
  H   -4.60158171177731     -6.01686029507678      1.63549197240951
  H   -4.59375208085873     -7.69502676882509      2.19938803828413
  H   -1.87539676753143     -3.86068066558469      1.59656376075475
  H   -3.46982808639926     -4.47398397268825      1.16114346391979
  H   -1.40207747941641     -5.70862222395001      3.04198034331606
  H   -2.14507540813889     -6.42573379067714      1.58899286287021
  C   -3.80928633704139     -2.40498418973361      2.81394564941662
  C   -3.76461535126694     -1.89639248141251      1.48210376180792
  C   -4.30244112294042     -0.67589601288344      1.12604475610427
  Cl  -4.19073038002773     -0.24346402209182     -0.55063533962696
  C   -4.92793104501106      0.17977901448542      2.08335358822842
  C   -5.61072173613639      1.43613550415461      1.76606850934877
  O   -5.70477892070073      1.96345348453915      0.65670278458405
  C   -6.26960677579837      2.28936671777240      2.85935541376868
  O   -5.75360393789614      2.59584943727644      3.91782997505416
  C   -4.91743025726745     -0.27860317873891      3.40134543760828
  C   -4.38502394170202     -1.51570673013103      3.80507667599042
  C   -4.49853745443009     -1.82360193076064      5.18257590747049
  O   -4.23682070102508     -2.96373595805473      5.70302176470981
  C   -6.63458107214637     -4.12945243556976      4.10194982463822
  C   -7.00669590751275     -3.50592343919116      5.31950633442043
  C   -7.92184300410846     -2.47411113274456      5.36900473568497
  Cl  -8.26193497487872     -1.79892763410789      6.93455803647453
  C   -8.53753624806709     -1.96374760368908      4.19124953490110
  C   -9.49116241928857     -0.85656334573536      4.14765599597914
  O   -10.16323108742952     -0.40903767933080      5.08020130278938
  C   -9.64937451619064     -0.03460161423189      2.86188665596311
  O   -8.71312413422581      0.37567108157971      2.20173534570142
  C   -8.18755367158790     -2.59521852255810      2.99045263313361
  C   -7.27575218845688     -3.64834604881303      2.90778829595017
  C   -6.84232303147484     -4.03826134996135      1.56026082208989
  O   -7.45661994342505     -3.81544084008776      0.52286288995840
  C   -2.15013034397969     -6.07662062574671      7.17858916774697
  C   -0.90522031555555     -6.60594398269004      7.63005338072588
  C   -0.43397333980139     -6.36904038474924      8.90729833134982
  Cl  1.16244623225271     -6.95139115712687      9.25155505623514
  C   -1.17761747392403     -5.63282485068152      9.88232126076631
  C   -0.74086152089713     -5.41455556622315     11.26415265383523
  O   0.12491420965537     -6.06587169812909     11.86022158116105
  C   -1.33779683358556     -4.25922180623024     12.07694910768519
  O   -1.95490243103338     -3.30300002270390     11.64618949238922
  C   -2.43829269062308     -5.18205771286090      9.46222455103741
  C   -2.93162219722615     -5.37499363591135      8.16990893678854
  C   -4.31731096809351     -5.13071812102107      7.91526293938679
  O   -4.86683804760182     -5.20434663036235      6.79326201036260
  H   -3.31898095513181     -2.48254932985437      0.68380575416671
  H   -7.21652520738741      2.75341799429641      2.49544836222832
  H   -5.36172270415340      0.34768823841253      4.17410890995130
  H   -4.88494754297664     -1.05338466262602      5.86392341693715
  H   -6.56278530065438     -3.87389218850225      6.24022538009943
  H   -10.69564993733792      0.32125935993073      2.70131782821311
  H   -8.60327985120421     -2.23025353563716      2.04980396797503
  H   -5.83878018007132     -4.51977185080196      1.51460148277628
  H   -0.25969874544287     -7.15049256890738      6.94443329995054
  H   -1.05224935031102     -4.35323833105075     13.15361506685004
  H   -3.08814469693983     -4.68707195242864     10.18306131032735
  H   -4.96233142843484     -4.93164298675014      8.79236310398814
  N   -1.65775402502222     -3.73547816558758      5.34542925210527
  H   -0.82337900377478     -4.30219741676351      5.17447306648610
  H   -1.61468803960722     -3.43362038063766      6.32399101956946
  H   -1.57631150304381     -2.89536049079428      4.76746549302280
