94
Coordinates from ORCA-job PSorga_trip
  N   4.65268605989689      7.05067651734771     19.28902786492096
  N   3.99722841581168     10.54988157313493     19.59550754385559
  N   2.94585079885233     13.70185729304574     18.26037664360139
  N   2.11229115744759     11.93185097166209     15.30661763770443
  N   2.75471255725847      9.40611387791249     14.22573882984386
  N   3.99004889811799      7.44870971924142     15.82152900802287
  C   3.94245732202573      8.98215366462901     17.75482728137355
  C   3.68303620481950     10.26501401518343     18.25944849464933
  C   3.11889073360885     11.27007572693505     17.45866751084841
  C   2.74105798169778     10.95108511711406     16.09658031001825
  C   3.05995382533155      9.69427809428400     15.57347413251251
  C   3.67969891835129      8.71308063349651     16.35626978059381
  C   4.32173476254802      7.92846236125780     18.61014595913985
  C   3.04174752203906     12.60261697560756     17.90885860643533
  C   5.26361376577812     10.42252638066269     20.17904239856166
  C   6.46615988795366     10.04235125707723     19.59826663666982
  H   6.52117870672464      9.76058353282662     18.55795072212250
  C   7.59326237469964     10.02410489955649     20.40786903649952
  H   8.54104029216457      9.71683581313135     19.98648098092887
  C   7.52371052327898     10.38800719834641     21.75540036549560
  H   8.41966451206054     10.35886902499962     22.36121700315353
  C   6.31957866634421     10.79123121333445     22.32368849948863
  H   6.27459946767919     11.08803046380243     23.36337950570591
  C   5.17839209840359     10.81149345143179     21.53325007850417
  C   3.79937796757060     11.18562828628144     21.78051763720476
  C   3.11501534039031     11.62325092434738     22.90643232230864
  H   3.63294390979112     11.76108360211109     23.84675918183997
  C   1.75153539614404     11.87921192876563     22.80770758779722
  H   1.20773699113640     12.22743721500836     23.67576608404393
  C   1.07233300418423     11.68695132940036     21.60177685536151
  H   0.01120310408148     11.89045370750002     21.54866043020231
  C   1.73571135647190     11.24695358377333     20.46483637645923
  H   1.20917874978327     11.09886386571703     19.53427186015451
  C   3.10106600276503     11.01467533367995     20.56544040700946
  C   0.82557527494348     12.41675931529468     15.52606577198399
  C   -0.02586006517962     12.17964696719669     16.60051251555377
  H   0.29003237599584     11.57851225684222     17.44016256648677
  C   -1.29008820150530     12.74738648713133     16.55670417318917
  H   -1.97181296870723     12.58748284607730     17.38187204260369
  C   -1.69538011391666     13.53239304529376     15.47007330967769
  H   -2.68657486894766     13.96572628540019     15.46831244342403
  C   -0.84042097518763     13.76359469139053     14.39863679059677
  H   -1.16457470876393     14.36446944611940     13.55861873299056
  C   0.43204797754718     13.20458431891165     14.41905031986703
  C   1.54619745070664     13.20791140188260     13.49252051500568
  C   1.76211108956307     13.79172437955109     12.24934934004963
  H   0.98868257674484     14.38458159155701     11.77792381306907
  C   2.98680592312051     13.60127075984408     11.61933308724769
  H   3.16406850783101     14.04244860844899     10.64778808067720
  C   3.99847527134028     12.85676100528988     12.23287307185930
  H   4.94937065082841     12.73137786382187     11.73184800707148
  C   3.80770705023693     12.27212905353510     13.47780106623660
  H   4.59622510083342     11.71177088639931     13.95699655159697
  C   2.57006236666439     12.43429613798570     14.08296841612219
  C   1.47919775629140      9.41382705304832     13.65689007194507
  C   0.24608267315284      9.61145964652340     14.26417508551126
  H   0.16405241066626      9.82448131786586     15.31842774984883
  C   -0.88628351855027      9.53220528022069     13.46458348129925
  H   -1.85720495095341      9.70422481417156     13.90927277141507
  C   -0.79156450968474      9.23539191642645     12.10286811899477
  H   -1.69241812285505      9.17941106667888     11.50633114213838
  C   0.44460602414622      8.99734548247521     11.50939412823581
  H   0.50991515411190      8.74108325572539     10.45991066536425
  C   1.59044253206218      9.08490672462303     12.28740505172341
  C   2.99875997762378      8.87131345694204     12.01875164703157
  C   3.71904208538136      8.56409423061069     10.87279722228154
  H   3.21160199062636      8.40562178123138      9.93001826345596
  C   5.10529949209268      8.47243388613726     10.95243495220052
  H   5.67731794689270      8.22636249751358     10.06771538138504
  C   5.77045751433301      8.71159611036458     12.15746639768456
  H   6.84968223007871      8.64743968781896     12.19759300112742
  C   5.07025663031343      9.03204734176594     13.31272117536190
  H   5.59007295638046      9.23804493930756     14.23466538240834
  C   3.68447598976752      9.07878983913390     13.23590518773877
  C   5.27989902993128      6.95928745235554     15.63786434032029
  C   6.48975689937593      7.50819989080846     16.04998255215580
  H   6.51840166816762      8.41885940444308     16.63061981002161
  C   7.65298725392702      6.84392452296469     15.69227330350124
  H   8.60881666986280      7.24279676013432     16.00494182859920
  C   7.61093336747561      5.66001722391627     14.94567404563051
  H   8.53580390746312      5.16263006691554     14.68606505349589
  C   6.39856310654421      5.11504033116417     14.53943980956158
  H   6.37538074135803      4.20236987518995     13.95811145452472
  C   5.21891319079413      5.76331673056687     14.88425108970633
  C   3.81711250304262      5.50804565158026     14.61984192444822
  C   3.13243191720742      4.50130859680342     13.94796717008206
  H   3.67134964780647      3.69122471776419     13.47341006793748
  C   1.74364225782281      4.54830036703007     13.89854367878570
  H   1.19872827802293      3.77368586760543     13.37533964112010
  C   1.04041453218418      5.57847675664344     14.52986734389668
  H   -0.04102237221534      5.59108160621499     14.49009393648245
  C   1.70354138768448      6.59017799777740     15.21261408519334
  H   1.15706651636728      7.37508302146045     15.71391338943559
  C   3.09025024593946      6.55414792949681     15.23005640960642
