127
Coordinates from ORCA-job /scratch/magstr/orcajob__5661782-DaUI/orca
  N   -3.12289098154090     -3.95626486648129      2.11443111688992
  C   -2.71702129194352     -5.03022055084615      1.19667983293711
  C   -2.51935892910848     -6.32566500118905      1.96364574884671
  N   -3.65714700484777     -6.55724074733419      2.88271870190314
  C   -4.90882431158829     -6.90179531793081      2.17903743114738
  C   -6.08653836668507     -6.58519151081517      3.07490539105266
  N   -5.96206206470569     -5.21809305746304      3.60234545940871
  Mo  -4.06262490129220     -4.54674512748554      3.77539719475644
  N   -2.99194670311439     -5.41762115700006      5.22686215300688
  C   -3.49602565922572     -6.79572862393523      5.33615076324319
  C   -3.33783194490956     -7.51008675052546      3.98604927412577
  H   -4.55726916262954     -6.79736776278843      5.63538071615950
  H   -2.96252845122169     -7.36353151191507      6.11628085310217
  H   -3.99061398361585     -8.39443254585079      3.92131883616368
  H   -2.30259114291402     -7.85290652682075      3.85268314451261
  H   -6.99212281916393     -6.71286540997753      2.46170020094236
  H   -6.15682245532290     -7.33997286565773      3.88645436098786
  H   -4.96728661444329     -6.27819540637334      1.27633888535254
  H   -4.91044907549091     -7.96264395748257      1.86896942393803
  H   -1.75741760275383     -4.81176417319347      0.70200453526492
  H   -3.45103023752807     -5.17354731794787      0.37783104562528
  H   -1.62537263686385     -6.22912931696186      2.59512765662789
  H   -2.37634062649273     -7.17992639418944      1.27524543783901
  C   -2.57002200879839      3.34192727227907      2.57469024941337
  C   -3.17016213798484      3.20943250282998      1.17621028418862
  C   -4.64202492327380      2.82130612576800      1.18121636862751
  O   -4.86075703159816      1.56378962473101      1.86427261182472
  C   -4.66701143439751      0.43780787619238      1.10508544129844
  O   -4.47391975830049      0.44154283048321     -0.10709700552626
  N   -4.73884193967161     -0.66045881057239      1.89835068347216
  C   -4.48863959603925     -2.00463991917551      1.42936281245321
  C   -3.02053784252700     -2.55057089084365      1.58704342967467
  C   -2.33769941868075     -2.43779592271252      0.19569858451901
  C   -0.80998051229712     -2.40252294007350      0.27449253112578
  C   -0.33608695936590     -1.09862408121272      0.95092814338846
  C   -1.39891163336691     -0.56633080659453      1.92825082257864
  C   -2.16832729714881     -1.71396057848313      2.58381664108335
  C   -9.80266319894492     -0.58337571244061     10.90571501100757
  C   -9.92346730988380     -1.67987664017919      9.84775618390223
  C   -8.57510527921387     -2.00330027583016      9.23462365427197
  O   -8.77157435301145     -3.04900999984841      8.25364585980140
  C   -7.63541780617549     -3.43657425509689      7.59319704099529
  O   -6.52629285880255     -2.95593331461195      7.78849243918540
  N   -7.93539153005004     -4.42833074879541      6.70899992157259
  C   -6.95231134512937     -4.98909310391701      5.80609358455320
  C   -7.18601562965433     -4.69564514590786      4.29890146551518
  C   -8.48798529642116     -5.39259512731084      3.83995833363420
  C   -8.93597322008790     -4.89813565720256      2.46373204700336
  C   -9.36822110948500     -3.41425638855029      2.53491729150266
  C   -8.79400382525994     -2.72774884909003      3.78296948181231
  C   -7.35438220357655     -3.16681319470868      4.05338495063903
  C   -2.02813453314088      3.39824891502913      6.38066556693676
  C   -2.55434786099194      1.96411437317128      6.41077093886904
  C   -1.43823393621999      0.96169800537202      6.19092336743674
  O   -2.01001345356010     -0.36186642725167      6.28599676677432
  C   -1.16365914354845     -1.38560485079807      5.97361737993786
  O   0.01782515362159     -1.24229946789226      5.67254579242012
  N   -1.81478215959654     -2.57852736864667      6.06150396673135
  C   -1.16893801556948     -3.77876409096058      5.57318768215802
  C   -1.78832188991685     -5.11053777456219      6.03328033948079
  C   -2.16759087791352     -5.05545620977044      7.52911853699907
  C   -0.97437419002117     -4.73262481849013      8.44264023848676
  C   0.30956829797312     -5.50165899718602      8.04694578624996
  C   -0.01064468229939     -6.66981873339122      7.11457936525698
  C   -0.66904145977741     -6.18944918626071      5.81353585715370
  H   -3.09037619087703      4.11592894245489      3.15980153063482
  H   -1.50615262007017      3.61412365118781      2.52609141627056
  H   -2.64902687405365      2.39609248428972      3.12864269486093
  H   -2.61162953977053      2.46498281706466      0.58715833835683
  H   -3.08528470983563      4.16477530233620      0.63144708091599
  H   -5.03522823131498      2.74750990833044      0.15812649266133
  H   -5.24001005845073      3.54598660816225      1.75234550691784
  H   -4.81371435002668     -0.50963563747171      2.90257407313559
  H   -4.77858500699555     -2.04370163276437      0.36990465963144
  H   -5.16101395009862     -2.67719387024975      1.97719226149991
  H   -2.70065829351341     -3.22690595565158     -0.47790713428410
  H   -2.68630080602684     -1.49339180659086     -0.25078298912714
  H   -0.37254359463986     -2.49802061658397     -0.73082431283905
  H   -0.44407385877071     -3.26717695313536      0.85169460395827
  H   0.60717370099717     -1.28271518057688      1.48846247599671
  H   -0.11913244333792     -0.33474043122218      0.18786585856082
  H   -2.09601041134945      0.09691488657075      1.39566868628060
  H   -0.92492817878589      0.04819125159402      2.70852083342288
  H   -1.44022965943614     -2.40323352582787      3.03424506423428
  H   -2.78404107045021     -1.33555887230012      3.40656541611274
  H   -9.40034137523649      0.34499183040543     10.47315531910237
  H   -9.13133442542931     -0.88982110479990     11.72199354515392
  H   -10.78181431944118     -0.35109614471291     11.34631575965960
  H   -10.61520545203136     -1.36465016251507      9.05041304994235
  H   -10.34516742945153     -2.59445483751632     10.29444208830667
  H   -7.85985529879223     -2.35209819597542      9.99620275352451
  H   -8.13509210339270     -1.12342109368127      8.73997010734082
  H   -8.89886612792385     -4.74374323566292      6.67904426236546
  H   -6.89816374123444     -6.08257124418448      5.94962077012720
  H   -5.98365634840934     -4.55798249493622      6.09056444406332
  H   -8.38675992988299     -6.48544442396732      3.87695863035864
  H   -9.27715453603190     -5.15005060314207      4.56987439898845
  H   -9.75257591351378     -5.52399890665081      2.07433623735677
  H   -8.09576146040053     -5.00556977386392      1.75899765448929
  H   -9.02138455246492     -2.88502359347034      1.63382891292085
  H   -10.46642194720280     -3.33539362117257      2.54030992441220
  H   -9.42001708388932     -2.94631277293737      4.66300612951801
  H   -8.82100092292831     -1.63441446354277      3.65934178915063
  H   -6.94830641492204     -2.60152994717637      4.90068869086523
  H   -6.74470945450883     -2.90136980712773      3.17853024992764
  H   -2.84456974302021      4.11936673170217      6.52418621517431
  H   -1.54659806859742      3.62681159775731      5.41818444899337
  H   -1.28612138418391      3.56810534001908      7.17556505298062
  H   -3.03878318035192      1.75625774534343      7.37792892109125
  H   -3.32202610923732      1.82200055535434      5.63359572036809
  H   -0.64452179606709      1.06879781032555      6.94804343891187
  H   -0.97453947785755      1.08596607500903      5.19951053187356
  H   -2.82628911286085     -2.54060981124524      6.13021769458500
  H   -0.12759409845542     -3.72946790429027      5.91447816855241
  H   -1.13425741947917     -3.80028466126695      4.46685980386644
  H   -2.96941245139014     -4.31690149347749      7.67072695656381
  H   -2.59752339070261     -6.03010071658746      7.80794260404974
  H   -0.78443163398670     -3.64985935535822      8.42192407154175
  H   -1.25822751863355     -4.97735673292494      9.47752780724618
  H   0.83266373935923     -5.86286808184874      8.94466725705368
  H   1.01295559774988     -4.82509739953085      7.53458194315576
  H   -0.68437817431926     -7.37513621437339      7.63052283196783
  H   0.90250654788144     -7.23616513844082      6.87413988276228
  H   -1.07224102491827     -7.05758992021527      5.27915634807197
  H   0.09838431233954     -5.76258735840043      5.14732666374971
  N   -4.44205091626823     -2.79150433003824      4.50299321277953
  N   -4.68204253559295     -1.73057684782010      4.88817653763962
