127
Coordinates from ORCA-job /scratch/magstr/orcajob__5683436-B4hw/orca
  N   -3.34442623372797     -3.85125403935138      2.01591365444472
  C   -2.76730213800790     -4.89031701234033      1.14227011438717
  C   -2.19483837197324     -6.04453207438268      1.93108888296624
  N   -3.17144085881768     -6.50877924301541      2.94044172669101
  C   -4.35574624762349     -7.16906812322008      2.36766863243783
  C   -5.49018454402568     -7.02670337004165      3.35496054850259
  N   -5.60342360033581     -5.62109124133750      3.79521827806042
  Mo  -3.96603775951731     -4.48672572342516      3.79371805430935
  N   -2.58115246256546     -5.07334454017455      5.09111071343743
  C   -2.61977591556754     -6.52756201075039      5.33715996091109
  C   -2.52310921206590     -7.29771680110938      4.02178498863262
  H   -3.54707885001857     -6.79672882684967      5.87022031978714
  H   -1.78927090097430     -6.82827835594587      5.99150925463496
  H   -2.99742869310273     -8.28589023250969      4.10565748776917
  H   -1.47222286445985     -7.46210650141009      3.74746653581378
  H   -6.40706085910787     -7.37359975149315      2.86752196028221
  H   -5.32931737179216     -7.68208914795542      4.23078662816286
  H   -4.62290012126591     -6.64956547282171      1.43748344036704
  H   -4.15313026430511     -8.22740521689022      2.12947648963850
  H   -1.94768337145778     -4.48241153385521      0.53412826964587
  H   -3.53007328646953     -5.24439563453458      0.42701038890106
  H   -1.30696555314298     -5.70428104379055      2.48011874326588
  H   -1.89517224972085     -6.86832237496209      1.25866310166381
  C   0.51179094749979      0.76621601744366      3.97742242163384
  C   -0.41036418587058      1.87127853389078      3.46426471582083
  C   -1.72460827963585      1.97308642235314      4.22419836972394
  O   -2.44902889551415      0.71452609659377      4.22972583252356
  C   -3.11704194296167      0.40548551327217      3.08254569939419
  O   -3.28763852614876      1.16698420679671      2.13805387044415
  N   -3.56064143941321     -0.88352373929805      3.15710121218142
  C   -4.33444275400207     -1.49953248662317      2.10714345540857
  C   -3.62309473420560     -2.57689770142707      1.25118820303613
  C   -4.59622352785946     -2.89354697041782      0.06657304189458
  C   -3.90461619416827     -2.95758630444292     -1.29613074157275
  C   -3.22647822486134     -1.62314536489480     -1.64371023388516
  C   -2.54955119276225     -0.96923750443297     -0.41637889099433
  C   -2.30029865054363     -1.96567112026471      0.72148807171711
  C   -9.48971675031374      1.40124451894002      8.51690244131907
  C   -9.65251062652759     -0.07608858407637      8.15731752109063
  C   -8.45680243357623     -0.56986726097319      7.37150722581577
  O   -8.65728046662745     -1.98628211549008      7.08030841366666
  C   -7.61617911640057     -2.60240312676800      6.48739077904312
  O   -6.55937347009419     -2.02406777013499      6.19874352052279
  N   -7.87948000920822     -3.91639194877581      6.26510520093622
  C   -6.88909856714981     -4.83785123433132      5.74761765569442
  C   -6.97676196340947     -5.14576608473203      4.21458492029353
  C   -8.08576945818262     -6.21024932241802      4.02743501127527
  C   -8.64908690245153     -6.26161388508272      2.60519914807971
  C   -9.41615257388911     -4.96344181446910      2.28057394041526
  C   -8.88187829962893     -3.78319722279356      3.10938054228655
  C   -7.37749132833300     -3.89932297835865      3.36401012002477
  C   -4.84415072939743      2.60228070139430      9.15924924309818
  C   -4.82677152909455      1.26167938620431      8.42709260246293
  C   -3.41642790283421      0.84228524985115      8.06062910962008
  O   -3.50988811630699     -0.42503854521386      7.36630082275358
  C   -2.33902449905300     -0.92358595726773      6.88352584061796
  O   -1.23587680377655     -0.42282145630838      7.05000699489993
  N   -2.60044539223487     -2.07252685165380      6.18942963474105
  C   -1.58374191575295     -2.83354718411691      5.51036257125892
  C   -1.53191262580921     -4.33867528012065      5.85144041354554
  C   -1.69646972357563     -4.53995107389330      7.37068710837921
  C   -0.60530299256278     -3.82358949306512      8.18791358526836
  C   0.80001678429812     -3.93978765328844      7.55304919192682
  C   0.86000805189707     -5.07881061024024      6.53612615163978
  C   -0.13139501769777     -4.86162112763788      5.38491410020909
  H   0.72434767095515      0.88827781323211      5.04972055231222
  H   1.46757670301824      0.77039304132121      3.43496827949760
  H   0.05332454087162     -0.22444762292064      3.84516295093392
  H   -0.62698555002222      1.72802922980211      2.39439008263852
  H   0.08605757448499      2.85196674103390      3.55261615781372
  H   -2.36953765438162      2.75591872759463      3.80188837407187
  H   -1.54873307044582      2.17266129553044      5.28997758548342
  H   -3.40093171074620     -1.36990509921633      4.03397853321696
  H   -4.60853518734837     -0.68751231858048      1.42240659756716
  H   -5.26947731861655     -1.91497451433271      2.50900290965031
  H   -5.14031838331093     -3.82572146626619      0.28340785678771
  H   -5.36451103039042     -2.10418755543708      0.02782793239894
  H   -4.63959865555901     -3.22212407172036     -2.07142193005177
  H   -3.15643778448236     -3.76490307640061     -1.29987458601851
  H   -2.49144904593443     -1.79256432252967     -2.44476770408590
  H   -3.97671514480284     -0.93111267887937     -2.05596449228058
  H   -3.16066426954720     -0.14011601093000     -0.03349895908276
  H   -1.58984717017212     -0.51712477080771     -0.70532408478342
  H   -1.61974789316717     -2.74800135961832      0.36048743562741
  H   -1.78429059175743     -1.47497404405322      1.55903434653075
  H   -9.39611363927342      2.02465736522341      7.61523386691990
  H   -8.59217399106960      1.56522423111165      9.13237622959116
  H   -10.35646609755549      1.76287758613399      9.08552117082006
  H   -10.56803526754527     -0.22588499464004      7.56391952791979
  H   -9.75740503716049     -0.68082602977695      9.07164627845739
  H   -7.52282056707440     -0.45853941004045      7.94102993246662
  H   -8.34330836295787     -0.03062893698321      6.41874226336289
  H   -8.77811305301957     -4.26202317490611      6.58677100036389
  H   -6.98437113339692     -5.78954664544075      6.29265119672485
  H   -5.90365308347084     -4.42498800938111      5.98257593980419
  H   -7.74981248558033     -7.19236826229045      4.38811069200634
  H   -8.90683170945857     -5.92603201869256      4.70650136553916
  H   -9.30033625729077     -7.13931407982122      2.48624924411453
  H   -7.82869222065696     -6.38853526961572      1.88091564450525
  H   -9.32654163457595     -4.74192502011965      1.20648514034567
  H   -10.48945933710213     -5.09746003877093      2.48191969934176
  H   -9.40917314096087     -3.72504862694496      4.07294355488144
  H   -9.08641108162948     -2.83217904937473      2.59601391208911
  H   -7.01124118993259     -2.98280162445415      3.83937816986631
  H   -6.85350135521388     -3.97806848455075      2.39827389605913
  H   -5.87141213229341      2.89568603619376      9.41592215754049
  H   -4.41392711976809      3.40177643709860      8.53782192733745
  H   -4.26553022451097      2.55675589924751     10.09390133415806
  H   -5.28109982079273      0.47782801679611      9.05465297499529
  H   -5.42906666378387      1.32201457966240      7.50646210469341
  H   -2.78148413861903      0.72117550733607      8.95210108622714
  H   -2.93575763234972      1.57783291561740      7.39719064404568
  H   -3.55632740282371     -2.40948768622490      6.19505041423041
  H   -0.62749987982574     -2.36924871660196      5.77917259739463
  H   -1.67486750700580     -2.74057388204217      4.40871437684885
  H   -2.69230210002955     -4.18847061153427      7.67799175627948
  H   -1.66387538919434     -5.61614797763760      7.59306044094016
  H   -0.86462381437698     -2.76353291133714      8.31429733470316
  H   -0.59980498229831     -4.26296380994375      9.19642302112693
  H   1.55765923049231     -4.08992561343484      8.33524946960598
  H   1.06687103010483     -2.99554762734474      7.05114613819727
  H   0.63567646824249     -6.03302024955609      7.04278680458061
  H   1.87577344547442     -5.18108446695632      6.12523482108531
  H   -0.25083790195862     -5.80111170762200      4.82746525961174
  H   0.28009375684608     -4.13809729548016      4.66177733376613
  N   -4.70718917354788     -3.10553447761053      4.52479085087133
  H   -5.35607872351155     -2.49306240367133      5.08316557542523
