122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655480-hjHc/orca
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  C   -2.89976500000000     -4.21211300000000      0.82603300000000
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  C   -2.44397700000000     -6.75885300000000      4.24121100000000
  C   -3.33899100000000     -7.17051800000000      3.06755900000000
  H   -2.29656400000000     -7.64146400000000      4.88548900000000
  H   -1.44978100000000     -6.49533700000000      3.84842200000000
  H   -4.25228600000000     -7.60150100000000      3.48436600000000
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  H   -7.05289300000000     -5.71559400000000      2.30532300000000
  H   -6.16876700000000     -6.69880000000000      3.48223500000000
  H   -5.14650600000000     -5.37482300000000      0.94463700000000
  H   -5.17399800000000     -7.12594700000000      1.27993100000000
  H   -1.94042600000000     -3.89019800000000      0.37790400000000
  H   -3.64603800000000     -4.16863600000000      0.00523700000000
  H   -1.72926000000000     -5.75770200000000      1.74122600000000
  H   -2.77900100000000     -6.35081600000000      0.42894400000000
  C   -4.17262400000000     -1.05239400000000      1.77173200000000
  C   -2.95593400000000     -1.97894200000000      1.66468600000000
  C   -1.84498100000000     -1.47489900000000      2.63284100000000
  C   -0.70718100000000     -2.43925800000000      2.66317800000000
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  C   0.24440400000000     -4.51076700000000      3.41624600000000
  C   1.40603100000000     -4.24217900000000      2.70601500000000
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  C   1.50715800000000     -3.08713700000000      1.94400300000000
  C   0.46083900000000     -2.18537000000000      1.95061100000000
  C   -7.87633100000000     -4.76797100000000      4.72373900000000
  C   -6.77878200000000     -3.91086900000000      4.07145700000000
  C   -7.42415900000000     -2.88969900000000      3.06763000000000
  C   -7.96590000000000     -3.48049900000000      1.81019400000000
  C   -7.15353500000000     -3.57381300000000      0.68163200000000
  C   -7.62302600000000     -4.13258600000000     -0.49077300000000
  C   -8.92899200000000     -4.59779700000000     -0.55441700000000
  S   -9.54189100000000     -5.26618800000000     -2.09150800000000
  C   -10.30948800000000     -6.77817200000000     -1.55819800000000
  C   -11.38681700000000     -7.25856400000000     -2.29259800000000
  C   -11.98913700000000     -8.44926300000000     -1.93015100000000
  C   -11.52461300000000     -9.16106100000000     -0.83575800000000
  C   -10.44434400000000     -8.68241300000000     -0.11229900000000
  C   -9.82802200000000     -7.49817900000000     -0.47330400000000
  C   -9.76591400000000     -4.47944100000000      0.54648200000000
  C   -9.28188300000000     -3.92938200000000      1.71749200000000
  C   -4.70755500000000     -5.77747500000000      6.73589400000000
  C   -3.22144300000000     -5.86508400000000      6.35478700000000
  C   -2.41757900000000     -4.86768400000000      7.23793700000000
  C   -0.94282900000000     -4.86040200000000      6.97421100000000
  C   -0.17677600000000     -6.01173900000000      7.14043400000000
  C   1.18963600000000     -6.00156200000000      6.94162200000000
  C   1.82692100000000     -4.81478200000000      6.60504400000000
  S   3.58321000000000     -4.73707900000000      6.33209700000000
  C   4.23487100000000     -5.83362800000000      7.56896900000000
  C   3.69307400000000     -5.90018600000000      8.84544900000000
  C   4.26522400000000     -6.73823000000000      9.78506200000000
  C   5.38303200000000     -7.49220700000000      9.46477400000000
  C   5.93110500000000     -7.40770600000000      8.19498700000000
  C   5.35922900000000     -6.58174500000000      7.24435400000000
  C   1.07991900000000     -3.66085600000000      6.41930300000000
  C   -0.29018700000000     -3.69266300000000      6.59568800000000
  H   -4.68108500000000     -1.23070800000000      2.71664500000000
  H   -3.86890000000000     -0.00912100000000      1.71417800000000
  H   -4.86830200000000     -1.25310300000000      0.96010700000000
  H   -2.55259400000000     -1.87280200000000      0.64265700000000
  H   -2.27995600000000     -1.38503700000000      3.62782700000000
  H   -1.50587900000000     -0.49212300000000      2.30094100000000
  H   -1.76905100000000     -3.85384200000000      3.90135300000000
  H   0.20563100000000     -5.40918100000000      4.01383600000000
  H   5.28826700000000     -6.04312500000000      1.78918800000000
  H   7.43535400000000     -4.83170400000000      1.92712000000000
  H   7.53339600000000     -2.61538200000000      3.01617300000000
  H   5.48377600000000     -1.63555600000000      3.98662200000000
  H   3.35265100000000     -2.85469500000000      3.86763100000000
  H   2.39967200000000     -2.89001100000000      1.36779100000000
  H   0.55035100000000     -1.27149500000000      1.37948900000000
  H   -8.55067100000000     -4.13132300000000      5.29272900000000
  H   -7.42781600000000     -5.48857100000000      5.40297800000000
  H   -8.45888800000000     -5.30777100000000      3.98239400000000
  H   -6.35680200000000     -3.27907200000000      4.86423500000000
  H   -6.64225500000000     -2.17794500000000      2.80542900000000
  H   -8.21867900000000     -2.36668000000000      3.60335500000000
  H   -6.13545500000000     -3.21789100000000      0.74313600000000
  H   -6.98925600000000     -4.20924700000000     -1.36264800000000
  H   -11.74427700000000     -6.69431400000000     -3.14128100000000
  H   -12.82790800000000     -8.81799000000000     -2.50212400000000
  H   -12.00063500000000    -10.08706500000000     -0.54950900000000
  H   -10.07050400000000     -9.23646500000000      0.73644300000000
  H   -8.97943000000000     -7.13157300000000      0.08588400000000
  H   -10.78920200000000     -4.82188400000000      0.48330000000000
  H   -9.94221800000000     -3.83735400000000      2.56788700000000
  H   -5.24143600000000     -6.61890900000000      6.29859600000000
  H   -5.12901900000000     -4.86160800000000      6.32701000000000
  H   -4.84438200000000     -5.80079900000000      7.81550100000000
  H   -2.87229900000000     -6.87498100000000      6.63120500000000
  H   -2.58481100000000     -5.15447700000000      8.28032600000000
  H   -2.81561900000000     -3.86369600000000      7.09369100000000
  H   -0.65479900000000     -6.93613200000000      7.43136700000000
  H   1.76514800000000     -6.90820600000000      7.06386100000000
  H   2.82779400000000     -5.30436600000000      9.09720100000000
  H   3.83889600000000     -6.79391900000000     10.77605000000000
  H   5.82726800000000     -8.14175300000000     10.20416500000000
  H   6.80422900000000     -7.99014600000000      7.93979800000000
  H   5.77433500000000     -6.50914300000000      6.24957100000000
  H   1.57754800000000     -2.74286700000000      6.14335300000000
  H   -0.85379500000000     -2.78119600000000      6.45636300000000
  N   -3.77501000000000     -2.61223400000000      4.90534800000000
  H   -2.84178100000000     -2.32860700000000      5.20030800000000
  H   -4.30397600000000     -2.77127000000000      5.76165600000000
  H   -4.19180800000000     -1.79278100000000      4.46587300000000
  N   -1.69663100000000     -3.81206200000000      3.86758000000000
  N   -0.32609900000000     -3.47818300000000      4.03057400000000
