118
Coordinates from ORCA-job /scratch/magstr/orcajob__5655481-0857/orca
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  C   -3.44728166008916     -4.54628990122615      1.39344648148033
  C   -3.40306160787659     -5.96131479934356      1.94185153860790
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  C   -6.79181410396687     -5.71219427267947      3.48197648208369
  N   -6.30564255274332     -4.46088118946577      4.06874065871234
  Mo  -4.37130592688212     -4.11450162584107      4.23476731392937
  N   -3.60440642069296     -5.44773268487633      5.52631607723194
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  H   -2.96474662357659     -7.45722608811613      5.74396866971899
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  H   -6.96350231779586     -6.47412190085457      4.26916953147275
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  C   4.98631255339623     -6.64920203279232      1.98837430251060
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  C   4.09862001063039     -4.43255115789277      2.40849252882678
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  C   -8.53545107191371     -4.26228738019914      5.21508752329653
  C   -7.33998374461776     -3.54506882767970      4.58217771930029
  C   -7.77151049986061     -2.49068852911492      3.51635611277981
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  C   -7.28782154972456     -3.29168442760764      1.18240164679055
  C   -7.65578708956946     -3.90127897130403     -0.01263738491041
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  C   -8.42414155678967     -6.53767180941081     -1.80318579373133
  C   -8.22575454527096     -7.11146852944475     -3.06894678689368
  C   -7.44955004018786     -8.26292188968629     -3.19992991773940
  C   -6.84994399740681     -8.84518860953905     -2.07990788721602
  C   -7.04532950442666     -8.26900497467730     -0.82190207528442
  C   -7.83387222432047     -7.12757475459065     -0.67646758940584
  C   -9.92785992558825     -4.09532387723180      0.79962044868590
  C   -9.55235135899833     -3.45600976639804      1.98296943523802
  C   -5.16016432181739     -5.39573823873716      7.47142191336676
  C   -3.70267608327495     -5.40502695994191      6.99444749840043
  C   -2.93418816238904     -4.22688296317625      7.61471334979098
  C   -1.47978448419199     -4.14230238104226      7.23013282118251
  C   -0.64411778097359     -5.26955186879344      7.21016729706240
  C   0.69894100961237     -5.17901748301797      6.85108295318487
  C   1.25465053303218     -3.93500784483285      6.52276886493553
  S   2.91655718312306     -3.73492180597963      5.93489579145465
  C   3.78608484563220     -5.11582595759186      6.64286871071558
  C   3.77363900978778     -5.35947140398179      8.02479901213340
  C   4.51003749346536     -6.42068702782796      8.54827927763287
  C   5.28227905859288     -7.22929148657030      7.70648094487196
  C   5.30594671395457     -6.97517514101961      6.33430296384396
  C   4.55241435321150     -5.92834457934686      5.79746400588699
  C   0.44036665400219     -2.79463285841244      6.55604381472136
  C   -0.90903147035274     -2.90831664485853      6.89021618760105
  H   -4.24196592230866     -0.99484055740850      3.38964745868976
  H   -3.51143890826107     -0.14282449079176      1.99971754428500
  H   -4.90135197885038     -1.22762872376565      1.74682687196171
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  H   -1.28764701238740     -1.01881812281762      2.53734039386072
  H   -1.06816654045498     -4.16903326816945      4.40217136876563
  H   0.56724666992975     -5.97258155131447      3.91763731734340
  H   4.82757279232628     -7.69629748510362      1.72154343691150
  H   7.11099500623884     -6.88134892162242      2.22586234906147
  H   7.48545631732687     -4.49257612238800      2.85625530466378
  H   5.53575888115418     -2.93895042479679      2.97914870480462
  H   3.25437034085315     -3.74874729434165      2.48515484241519
  H   1.57394834062925     -4.06666361802420      0.18880109171344
  H   -0.02336199270597     -2.23316180371174      0.69996690395761
  H   -9.18357263684776     -3.52660334569824      5.71261245161433
  H   -8.19601163122358     -4.98314262163779      5.97257837265782
  H   -9.14785960391586     -4.80219658793703      4.47986694755745
  H   -6.85995370861707     -2.95985308307050      5.38020887135301
  H   -6.90009419781611     -1.84295210164498      3.34036220339068
  H   -8.56662701018232     -1.86998005805227      3.95954441548297
  H   -6.25231562321826     -2.98359202174444      1.33933581382503
  H   -6.91803610503442     -4.06104471086693     -0.80075780178577
  H   -8.67394774517194     -6.64758741383519     -3.94983600500852
  H   -7.30202058525792     -8.69899043300439     -4.18963179492090
  H   -6.23357218184253     -9.73874877330230     -2.18728538582487
  H   -6.58529637650613     -8.71531725278590      0.06237002048531
  H   -7.98933218546744     -6.69138428770259      0.31036023347702
  H   -10.95818920566555     -4.42226894266346      0.65096251738286
  H   -10.30428987467394     -3.27354773297968      2.75388032041723
  H   -5.70640255291338     -6.25866502507718      7.06432639784893
  H   -5.66287554106775     -4.48083502313980      7.12412167038592
  H   -5.21912617123751     -5.42947799819511      8.57018554588352
  H   -3.24079648699399     -6.33595868397000      7.36879124216713
  H   -3.02834976333600     -4.30756953772261      8.71213611314466
  H   -3.42896343467709     -3.29092585756597      7.31477575116458
  H   -1.05015509250249     -6.25010019012740      7.46830156544926
  H   1.31687496566886     -6.07708332224767      6.82102456209712
  H   3.18310548934467     -4.71879973558931      8.68126160670511
  H   4.49190773162593     -6.60950078425740      9.62329868544887
  H   5.86375017257872     -8.05352959352462      8.12280022100544
  H   5.90209096892742     -7.60026242236633      5.66692405385380
  H   4.55421886727126     -5.74180048848234      4.72379466587902
  H   0.86145476601534     -1.81978361562685      6.30162882106993
  H   -1.54268517470189     -2.01879185460199      6.87719880328169
  N   -4.23308152718496     -2.59553231597542      5.20873081429804
  H   -4.81819660268724     -1.86781902483895      5.64536389143606
