94
Coordinates from ORCA-job /scratch/magstr/orcajob__5677973-mHZJ/orca
  N   -3.47260367336509     -3.51453371108304      1.98221221006980
  C   -3.00264028308248     -4.49077687196333      1.00092971490611
  C   -2.56455576655114     -5.77154310947977      1.69304235224720
  N   -3.49234823115321     -6.11611443732097      2.78719765880824
  C   -4.78392992007166     -6.65716039009294      2.31918054463262
  C   -5.86318526472768     -6.38311812947030      3.36005393886766
  N   -5.74809861057199     -5.00604451543569      3.84542085437955
  Mo  -4.01097168387945     -4.08200021486784      3.81563732543737
  N   -2.61066238279523     -4.83252755427360      5.04551772199927
  C   -1.93700312820424     -6.07825882509033      4.68221637419234
  C   -2.85108682293791     -6.94311861387016      3.82569727929593
  H   -1.67149749888461     -6.66567019068529      5.57533925368328
  H   -0.98456511601698     -5.88201528258716      4.14839028291999
  H   -3.64501732595738     -7.35206470976377      4.46333285284422
  H   -2.29873158785064     -7.79049121575682      3.37713787042785
  H   -6.84598100780308     -6.56311021435794      2.89162757151448
  H   -5.78526208966648     -7.10724689757415      4.19452970022153
  H   -5.04055992681836     -6.12628444820360      1.39153289575297
  H   -4.70873428688982     -7.73719151218652      2.09016089633659
  H   -2.13996913319095     -4.10965301721483      0.42833362010820
  H   -3.79505711379801     -4.70849861433188      0.25703767275504
  H   -1.57883448109440     -5.60845139930051      2.14819084651523
  H   -2.47306526470437     -6.60335904239006      0.96914832751153
  C   -3.88675937488737     -1.97022470255268      0.03474300548216
  C   -3.52612755646614     -2.11887551795755      1.51528691530630
  C   -2.21873573950703     -1.34627186450800      1.88728571807957
  C   -0.94693374475307     -2.04648318678153      1.50853080883030
  C   -0.35315086098123     -2.95514493541474      2.40058011761300
  C   0.78116152271319     -3.67774491903296      2.03763170737249
  C   1.36401144015721     -3.50686663307635      0.77420838921607
  C   2.58116255193834     -4.27739369068304      0.38809305502384
  Cl  4.11975744150320     -3.38628252948157      0.83771780052460
  C   0.79186125422445     -2.58162845666571     -0.11017414029157
  C   -0.34526331943446     -1.86259643782761      0.25356376416686
  C   -7.77722431516651     -5.22089412103215      5.29510050710218
  C   -6.99979843178488     -4.37330478998530      4.28581430011430
  C   -7.87007679908186     -3.97531275924901      3.06329589907385
  C   -9.05340544233238     -3.12995389867800      3.44321607613483
  C   -10.35447663098780     -3.65252354957787      3.45340118867914
  C   -11.43993458709106     -2.87296296593677      3.84954607992881
  C   -11.25366807376116     -1.54366993933516      4.25058887469950
  C   -12.41157835917922     -0.71013998714209      4.68380627076452
  Cl  -12.71634173429227     -0.86035768830538      6.48708377503923
  C   -9.95478565268694     -1.01501128663219      4.24108246858370
  C   -8.87269023282711     -1.79560688577163      3.84224882484712
  C   -0.76045545857566     -4.41905488056914      6.68765432922053
  C   -2.24352205465130     -4.25097411374681      6.34339243510835
  C   -3.18290496567679     -4.71458207880972      7.50133204400497
  C   -3.28137789799291     -6.20137997973581      7.66973682699650
  C   -2.35180343654949     -6.92926483705197      8.42997600781865
  C   -2.40826935681481     -8.32050764280979      8.49194250379107
  C   -3.40705702251442     -9.02652953857297      7.80633841881588
  C   -3.44560599203510    -10.51596838551888      7.83770729250565
  Cl  -2.54154296522034    -11.23522848463347      6.40885754770008
  C   -4.36290530470422     -8.30308672347080      7.08062611083368
  C   -4.29901740992273     -6.91362446888166      7.01493416860203
  H   -4.82154594065315     -2.50283165685058     -0.19326176136167
  H   -4.03862004644443     -0.90656265771897     -0.19791382237689
  H   -3.10345874985215     -2.35003133449257     -0.63594385578318
  H   -4.32252273496687     -1.62631617290582      2.09049414587142
  H   -2.26402203870568     -0.34901425049173      1.42158129613568
  H   -2.23497285651463     -1.20325421035614      2.97823049536541
  H   -0.80319609122115     -3.10691111248777      3.38400458800897
  H   1.22835584835749     -4.38205361459704      2.74394169941758
  H   2.64888753527674     -4.43362776492940     -0.69396771303832
  H   2.64595207468138     -5.23844796239432      0.90958147991721
  H   1.24667056551736     -2.42407265589602     -1.09103946455282
  H   -0.78037053862200     -1.14800723182347     -0.44880972290784
  H   -8.65431901840825     -4.66749519733680      5.65782539719191
  H   -8.13685830785239     -6.16132490954415      4.85075540442149
  H   -7.14513507611124     -5.46508591801436      6.16039590367202
  H   -6.69909634440451     -3.43794600723783      4.78067341480367
  H   -7.21564814757953     -3.42210442339198      2.37124138021678
  H   -8.21597372988700     -4.88147100373367      2.54072538985023
  H   -10.51611736728206     -4.68765445775256      3.14312197492165
  H   -12.44609333957317     -3.29904255722134      3.85022787074524
  H   -12.24273076649199      0.35834724687006      4.51229258814480
  H   -13.34904480653798     -1.02179176009160      4.21076893630797
  H   -9.79470870278708      0.02072128655986      4.55002769021475
  H   -7.86729269487303     -1.36724272000646      3.83880431081810
  H   -0.52196845231231     -3.83137238440287      7.58578013353499
  H   -0.13112404512134     -4.05120114051975      5.86399380253313
  H   -0.48179805235000     -5.46219435415042      6.89041832341449
  H   -2.43341055047861     -3.17057379780326      6.25427263436724
  H   -4.17927551118015     -4.30613444494584      7.27596965240505
  H   -2.83028233879587     -4.24267603303464      8.43277507192465
  H   -1.57184369134449     -6.39655395941727      8.97841112376605
  H   -1.66792096266311     -8.87098644792143      9.07729968983442
  H   -4.46362900811290    -10.91123726337749      7.75416251214496
  H   -2.95282110327029    -10.92973010439670      8.72386167977168
  H   -5.15800533310930     -8.83921026946504      6.55606698189714
  H   -5.03956516608191     -6.35713275962410      6.43755871056080
  N   -4.28952435981989     -2.51288706088674      4.68990658984722
  H   -3.65807504106584     -1.71534313747925      4.88151561087725
