94
Coordinates from ORCA-job PSorga_gs
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  N   4.00236576157876     10.56279568661473     19.57915519595789
  N   2.94786293597020     13.67835345118566     18.29604746065401
  N   2.16618997282041     11.97097102655059     15.32914191182824
  N   2.75471651580231      9.41206241757282     14.21412403939510
  N   3.97221540618198      7.45014074042472     15.87220334186294
  C   3.94243596773088      9.00668717424193     17.71658712287564
  C   3.69447792957606     10.27854069543847     18.24611615503256
  C   3.13139784717526     11.26098067450199     17.42292145664667
  C   2.77637946094856     10.97012256837240     16.09235046959160
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  C   3.01954293734823     12.59739777800263     17.90668022462161
  C   5.28340306203116     10.52072811696742     20.14951962725556
  C   6.50400089174536     10.24665137650026     19.55135137586419
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  H   8.60178225007396     10.07208557668111     19.91596203170308
  C   7.55162737850774     10.60962473923588     21.71229899010791
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  C   6.32808752568272     10.90047740127962     22.29772072207432
  H   6.26800509355059     11.15995335410417     23.34679778891955
  C   5.17718407241864     10.85843506847602     21.51471730627744
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  C   3.07934205224889     10.92255430605130     20.57305301426905
  C   0.88732390542212     12.49948736307002     15.59788937544497
  C   0.07333520467713     12.31854019669557     16.70611667510950
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  H   -1.83478296361343     12.78841454546107     17.54396829056849
  C   -1.61871354110757     13.65552229754119     15.58882406062498
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  C   -0.80061473184112     13.82463026624793     14.48066916693954
  H   -1.14389293740963     14.39239032165529     13.62543932912462
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  C   1.52426707378948     13.17591615296600     13.49323859656912
  C   1.68210790804355     13.71042133510272     12.21750985575106
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  C   2.85758035165925     13.46011908705708     11.52454612687437
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  C   1.47637462115228      9.45177327708975     13.63672633080071
  C   0.24917743750173      9.71554925614342     14.22540293402500
  H   0.15919497486222      9.95934764649171     15.27304124733774
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  H   -1.84430484536193      9.89315618599586     13.84959377679109
  C   -0.78590772235440      9.34739979097994     12.05912475736659
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  C   3.69206583672583      8.46442172325322     10.87493508094757
  H   3.17413214412399      8.30203135376868      9.93834034182121
  C   5.06897158830081      8.31532340736510     10.95451768626303
  H   5.63010625381898      8.02241886951291     10.07706906426662
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  C   3.67816518832507      9.03546996368497     13.22667629604289
  C   5.27795562853552      6.93716779829140     15.74657289254458
  C   6.47806606021857      7.45431841158522     16.21071144378030
  H   6.51782806209147      8.35560701010012     16.80519120657160
  C   7.64418825831922      6.77326288945322     15.88513749001335
  H   8.59231923497613      7.15205822549038     16.24276680467296
  C   7.61214260141086      5.60708310935328     15.11527961904218
  H   8.53712604681173      5.09760722282662     14.88116577854889
  C   6.40742399569026      5.09931157328587     14.65108071315924
  H   6.38536535364413      4.20261842590459     14.04532125218241
  C   5.22624330234677      5.76616614551254     14.96290067454159
  C   3.83878215504844      5.54578175297422     14.61230890089526
  C   3.18011342839929      4.55886225885664     13.88348338771389
  H   3.73603812886935      3.74630675821719     13.43390736713644
  C   1.80165089322527      4.63269739290476     13.74493668209294
  H   1.27729706210921      3.87678412529432     13.17536979393951
  C   1.07728872510948      5.66723263812070     14.34589813792882
  H   0.00159505554443      5.70400557470307     14.23429182654783
  C   1.71243454153590      6.65465169421694     15.08622863954701
  H   1.14247083537035      7.44244287741843     15.55519435785810
  C   3.09327273407214      6.59476072080159     15.18688553785189
