121
Coordinates from ORCA-job /scratch/magstr/orcajob__5655494-Bd6p/orca
  N   -3.22380653088334     -3.28925389162054      2.10194491806216
  C   -3.54501584016327     -4.01131260826785      0.86100528320388
  C   -3.21222515616551     -5.47666092730306      1.00787573040153
  N   -3.79810951567931     -5.98438249766051      2.26669360849197
  C   -5.24034446532659     -6.28527417363155      2.12881109671752
  C   -5.92386662275961     -6.07347310979815      3.46623516352266
  N   -5.58907392589094     -4.74377231519036      4.01107079662025
  Mo  -3.65740374888128     -4.29630287886584      3.80245181885559
  N   -2.45725648697290     -5.67668658344230      4.62802221225208
  C   -1.86921498881589     -6.54960146112738      3.60692772434725
  C   -3.00838763774549     -7.12913243352138      2.77956337709190
  H   -1.27034553074156     -7.36331572515586      4.04150828452621
  H   -1.17916043040819     -5.98314795441875      2.95564867270485
  H   -3.65235112869960     -7.73546294518660      3.43043281161414
  H   -2.66070541631598     -7.76055171835685      1.94133145630058
  H   -7.00678980218941     -6.19617352886010      3.30837795889096
  H   -5.62611474200898     -6.87061064252864      4.17467353062250
  H   -5.66105108194373     -5.57765830319283      1.40105933817597
  H   -5.39026422339673     -7.31043198189291      1.74349871962698
  H   -2.96890606350483     -3.62807370945938      0.00410500577334
  H   -4.61167354851235     -3.88452165867165      0.58662921153380
  H   -2.12204715488872     -5.58889057783235      1.07949181506129
  H   -3.56700247424913     -6.07215403055975      0.14638079345663
  C   -3.69290380185877     -1.18817806385420      0.82898845792510
  C   -2.74053133528684     -1.90680521395535      1.80779376317166
  C   -2.66381058528596     -1.04268905700742      3.06326684172281
  C   -1.31880524883642     -1.98532647738603      1.18028048602778
  C   -0.26242895122319     -2.62871337201783      2.07858720913739
  C   0.96982095839512     -3.16917312141940      1.34415495326275
  C   0.67256803640927     -4.40120219971395      0.48219635191107
  C   1.88475962418757     -4.78162983927792     -0.39124494394244
  C   3.22528805081353     -4.46050027489657      0.30375904973181
  C   3.08257051771028     -4.56929157688965      1.82275038325389
  C   2.08311067013184     -3.52350055073177      2.35504977623092
  C   -6.36245769487625     -2.75535261078091      5.29016336794863
  C   -6.77230129934260     -4.04789095393957      4.58738904763426
  C   -7.46587259334289     -4.94106443467280      5.63460676880588
  C   -7.78557924702949     -3.69827646656375      3.45929224398353
  C   -7.24637311819085     -2.72966625708329      2.40488132127100
  C   -8.05630406821600     -2.65380495169166      1.10190377897247
  C   -9.54134722831844     -2.33866078886274      1.31388519774333
  C   -10.23246953886236     -1.99109853468713     -0.02134388791802
  C   -9.61194503743472     -2.75107645129639     -1.21339427870176
  C   -9.06638390517190     -4.10786791652300     -0.76449785424465
  C   -7.90863698376670     -3.92688619155021      0.23721922723834
  C   -3.07786228342730     -5.30975293466370      7.01071539654476
  C   -2.24531503451830     -6.13728957177592      6.02641926075683
  C   -2.70999914388667     -7.60133852187506      6.18738755638655
  C   -0.74218162754753     -6.03622201644699      6.39441997625906
  C   -0.16559584469867     -4.62026319433726      6.34034482770048
  C   1.36062404659705     -4.56200682449378      6.23518179855399
  C   2.07523787722941     -5.24387129371605      7.40981977135658
  C   3.59949074888736     -5.16574221588416      7.27739582968081
  C   4.07982084668979     -3.72046456148575      7.11804175351183
  C   3.36910943638301     -3.02826669125650      5.95163682976167
  C   1.84844929292195     -3.11338525679142      6.09932435398968
  H   -4.71450193619822     -1.17758409152445      1.23691229256515
  H   -3.72152341666882     -1.65867007780657     -0.16296988948692
  H   -3.36744019716130     -0.14701918301124      0.69020277814084
  H   -2.29083665231336     -0.04641812628809      2.78374567259574
  H   -1.98755224820300     -1.46004334975642      3.81502912617398
  H   -3.65415160401580     -0.92028874242239      3.52035987616066
  H   -1.37666481292758     -2.53442753342977      0.22696849668583
  H   -1.01056120572232     -0.96064584976782      0.91234981319499
  H   -0.72695390441565     -3.46267473581774      2.63510675773508
  H   0.07172779449434     -1.90510588068234      2.84050628576842
  H   1.34438714333522     -2.37447427415321      0.67110952933767
  H   -0.21116745903614     -4.23931847113851     -0.15335550721219
  H   0.41408194801675     -5.23484697038390      1.16002735708967
  H   1.83732708157917     -5.85569788838258     -0.63222933050620
  H   1.83231992281906     -4.24593102490696     -1.35240177640023
  H   3.54505081839771     -3.43591038814987      0.05001940948286
  H   4.01611674126861     -5.12991694918367     -0.06727697533814
  H   2.73163460920440     -5.58461273344658      2.07431335164229
  H   4.05724960423955     -4.45129726968222      2.32027634280199
  H   1.61096343831567     -3.90392085191645      3.27549321024052
  H   2.61328816626662     -2.60158732890036      2.64358236855479
  H   -5.74875853260004     -2.95889825441269      6.17521426165739
  H   -5.79294512056304     -2.09284409466305      4.62749031920552
  H   -7.26904000776739     -2.22272259615807      5.61396959599366
  H   -8.28427096304628     -4.38873361649392      6.11939892963685
  H   -6.74517302119461     -5.23784121369471      6.41108954260297
  H   -7.89651395678632     -5.85233543435368      5.19652331557985
  H   -8.68431212979916     -3.27533142086020      3.93760361019242
  H   -8.12190218490802     -4.62989917419013      2.97618979681458
  H   -7.19005517092067     -1.71759937165553      2.83759909901804
  H   -6.20886147007987     -3.01647423012629      2.16251729114902
  H   -7.63161302898353     -1.81312582448026      0.52312171019812
  H   -9.65849115539296     -1.50927925458272      2.02968761375871
  H   -10.03155869434301     -3.21204036801901      1.77568527936345
  H   -10.16430603925594     -0.90704552541847     -0.20450747805095
  H   -11.30640012758337     -2.22552815283127      0.05138357532771
  H   -10.35520378149044     -2.87217614859593     -2.01587878334857
  H   -8.78530495220896     -2.16219865358343     -1.64500296413860
  H   -9.88309161591277     -4.68131567943911     -0.29397792065052
  H   -8.73250639285976     -4.70299701830944     -1.62823084910287
  H   -6.94762431869753     -3.87544761781994     -0.30162220544782
  H   -7.84982335777544     -4.81479005636765      0.88733052415452
  H   -3.01114516157707     -5.76721978342279      8.00854204774755
  H   -2.73147407299319     -4.27674988916880      7.08960913714371
  H   -4.13509201329077     -5.29668233893414      6.70640669511142
  H   -2.15615262823005     -8.30368368550141      5.54923352525370
  H   -2.56184546445764     -7.92175846541573      7.22884268090651
  H   -3.78142442995094     -7.68589174860077      5.95168332898057
  H   -0.60958187851914     -6.47130829717687      7.39857531237155
  H   -0.17045629688898     -6.68553046419564      5.70809313480710
  H   -0.48226402715092     -4.04629382777443      7.22762858324504
  H   -0.59757657999906     -4.10098516057711      5.46859092481303
  H   1.65117843787397     -5.10258363472974      5.31096578632535
  H   1.76129471307258     -4.74596815046632      8.34638060416420
  H   1.75902842842569     -6.29562405102858      7.49214985077947
  H   4.08231761434225     -5.63672124418939      8.14858438928857
  H   3.91275008714448     -5.74818441438136      6.39210389900609
  H   5.17184269058682     -3.69320775270778      6.97450884965296
  H   3.87020033751161     -3.16428830018224      8.04945804175341
  H   3.68832126248934     -1.97643034312205      5.87668842987616
  H   3.66516598551228     -3.51592440703196      5.00568528350175
  H   1.35037015007660     -2.63145703353185      5.24267085198023
  H   1.53533089495314     -2.55111954804115      6.99834374707034
  N   -3.42000249391536     -2.92197958303534      5.15463882698645
  N   -3.22153238321217     -2.15112040590478      5.98319267257213
