31
Compound 1
 C                    -2.71789   2.88676   0.20214 
 C                    -1.33942   2.81025   0.19596 
 C                    -0.67881   1.55598   0.10385 
 C                    -1.47668   0.37654   0.02362 
 C                    -2.88946   0.47713   0.03101 
 C                    -3.50081   1.71633   0.11862 
 H                    -3.20798   3.85319   0.27174 
 H                    -0.74012   3.71498   0.26078 
 C                     0.73224   1.42452   0.09764 
 C                    -0.83756  -0.88473  -0.06259 
 H                    -4.58464   1.76694   0.12242 
 C                     0.54115  -0.97413  -0.07014 
 C                     1.35615   0.18611   0.01066 
 H                     0.99309  -1.95612  -0.16145 
 C                    -3.71169  -0.74775  -0.05564 
 C                    -1.65289  -2.11492  -0.15448 
 O                    -3.03287  -1.95748  -0.14303 
 O                    -4.91628  -0.77666  -0.05659 
 O                    -1.21373  -3.23416  -0.2352 
 H                     1.33526   2.3242    0.18776 
 C                     2.83638   0.06491   0.00384 
 C                     3.635     1.00846  -0.66367 
 C                     5.02431   0.89692  -0.66197 
 C                     5.64339  -0.1613    0.00594 
 C                     4.86178  -1.10766   0.67087 
 C                     3.47237  -0.99668   0.66913 
 H                     3.16246   1.81871  -1.21218 
 H                     5.62328   1.63219  -1.19246 
 H                     6.72626  -0.24929   0.00564 
 H                     5.33383  -1.93212   1.19813 
 H                     2.87628  -1.72686   1.20943
28
Compound 2
 C                  2.57827200    2.93690800    0.12858400
 C                  1.20530600    2.79166000    0.14274400
 C                  0.60757300    1.50370900    0.09236400
 C                  1.46365600    0.36477300    0.03033600
 C                  2.86875700    0.53564600    0.01606500
 C                  3.41849700    1.80592100    0.06458600
 H                  3.01937700    3.92834500    0.16665400
 H                  0.56222700    3.66672700    0.19186500
 C                 -0.79397000    1.30270700    0.11132400
 C                  0.88678700   -0.92876900   -0.01938300
 H                  4.49831400    1.91080500    0.05268000
 C                 -0.48348800   -1.08928500   -0.01291600
 C                 -1.35682100    0.03154500    0.05833200
 H                 -0.88303600   -2.09495500   -0.08089900
 C                  3.75010500   -0.64854400   -0.05139600
 C                  1.76212900   -2.11931400   -0.09259700
 O                  3.13142400   -1.89295400   -0.10177100
 O                  4.95431000   -0.61833100   -0.06641500
 O                  1.37755700   -3.26027500   -0.14190900
 H                 -1.43733800    2.17583400    0.18521500
 C                 -2.80761400   -0.18278800    0.07524500
 C                 -3.49829600   -1.31489800    0.44793500
 S                 -3.93119100    1.07242500   -0.41556400
 C                 -4.91227600   -1.17961300    0.35104800
 H                 -3.00969400   -2.21433200    0.80622700
 C                 -5.29652300    0.05402600   -0.09779500
 H                 -5.61182000   -1.96691400    0.60934700
 H                 -6.29786400    0.42607500   -0.26816500
31
Compound 3
 C                 -2.87034800    2.97456800   -0.11472800
 C                 -1.50157400    2.79434600   -0.13929700
 C                 -0.93608600    1.49169600   -0.09527100
 C                 -1.82061000    0.37505600   -0.02831600
 C                 -3.22063100    0.58155800   -0.00289000
 C                 -3.73864000    1.86545700   -0.04569600
 H                 -3.28616100    3.97706200   -0.14838500
 H                 -0.83686200    3.65290100   -0.19213200
 C                  0.45965200    1.25541900   -0.12450700
 C                 -1.27572700   -0.93267500    0.01509300
 H                 -4.81532800    1.99750400   -0.02545700
 C                  0.08980000   -1.12775000   -0.00258900
 C                  0.99197400   -0.02959600   -0.07860800
 H                  0.46295500   -2.14383900    0.05964500
 C                 -4.13088500   -0.58001700    0.07010100
 C                 -2.18018900   -2.10069400    0.09373400
 O                 -3.54344800   -1.83970300    0.11399000
 O                 -5.33392000   -0.51973100    0.09482000
 O                 -1.82484200   -3.25137500    0.13880900
 H                  1.12364200    2.11283500   -0.19966500
 C                  2.43525000   -0.27974900   -0.10616900
 C                  3.09658500   -1.43793900   -0.44410900
 S                  3.59821500    0.96699600    0.32031400
 C                  4.51392700   -1.32985900   -0.37049100
 H                  2.58659800   -2.34106300   -0.76114600
 C                  4.95512700   -0.09423200    0.02477200
 H                  5.19057400   -2.14452200   -0.60798700
 C                  6.36549600    0.37747900    0.21329600
 H                  6.60966200    1.21507400   -0.45145900
 H                  6.55277500    0.70947700    1.24174500
 H                  7.05965900   -0.43929700   -0.00708200
39
Compound 4
 C                     3.91069   2.83352  -0.26918 
 C                     2.53039   2.79324  -0.27422 
 C                     1.8345    1.5604   -0.15391 
 C                     2.60154   0.36384  -0.03395 
 C                     4.01613   0.42679  -0.03044 
 C                     4.66212   1.64645  -0.14598 
 H                     4.4263    3.78486  -0.36066 
 H                     1.95628   3.71159  -0.36977 
 C                     0.42093   1.46664  -0.16076 
 C                     1.92651  -0.87653   0.08073 
 H                     5.74685   1.66812  -0.14058 
 C                     0.54618  -0.92795   0.08094 
 C                    -0.24217   0.24917  -0.0415 
 H                     0.07006  -1.8952    0.20075 
 C                     4.80348  -0.8166    0.09783 
 C                     2.70672  -2.12449   0.21559 
 O                     4.09124  -2.0047    0.21284 
 O                     6.00718  -0.8793    0.11084 
 O                     2.23857  -3.22996   0.32451 
 H                    -0.15427   2.38004  -0.2871 
 C                    -1.71916   0.16577  -0.0378 
 C                    -2.51405   1.17929   0.52279 
 C                    -3.90057   1.11062   0.52672 
 C                    -4.57927   0.00978  -0.04797 
 C                    -3.78033  -1.01803  -0.60221 
 C                    -2.39486  -0.93367  -0.59345 
 H                    -2.03788   2.03055   1.00236 
 H                    -4.45678   1.91303   0.99616 
 H                    -4.24161  -1.88872  -1.05214 
 H                    -1.82704  -1.73763  -1.05414 
 C                    -6.742     0.93946   0.64253 
 H                    -6.52997   1.9479    0.26678 
 H                    -6.55213   0.93334   1.72746 
 H                    -7.80374   0.74464   0.48111 
 N                    -5.96163  -0.05797  -0.06983 
 C                    -6.61377  -1.2874   -0.48968 
 H                    -6.34659  -2.14632   0.14525 
 H                    -7.69574  -1.15201  -0.44266 
 H                    -6.35627  -1.5387   -1.52605 
31
Compound 5
 C                 -3.11922900    2.86993500    0.20200700
 C                 -1.74009500    2.80758300    0.19653700
 C                 -1.06683900    1.55997800    0.10460400
 C                 -1.85277900    0.37261800    0.02406900
 C                 -3.26649900    0.45871400    0.03082900
 C                 -3.89035100    1.69162600    0.11807900
 H                 -3.61914300    3.83130900    0.27141000
 H                 -1.15018400    3.71841300    0.26180700
 C                  0.34539000    1.44259300    0.09982400
 C                 -1.20103700   -0.88209200   -0.06184500
 H                 -4.97462000    1.73140600    0.12131700
 C                  0.17832000   -0.95788200   -0.07014400
 C                  0.98169900    0.21041800    0.01156900
 H                  0.63907800   -1.93567300   -0.16314800
 C                 -4.07621000   -0.77458200   -0.05621800
 C                 -2.00391900   -2.12078600   -0.15385700
 O                 -3.38492300   -1.97756600   -0.14335300
 O                 -5.28026500   -0.81577200   -0.05769400
 O                 -1.55233900   -3.23508700   -0.23406400
 H                  0.93873200    2.34850600    0.19235400
 C                  2.46242800    0.10387800    0.00380500
 C                  3.25305800    1.05652200   -0.66146000
 C                  4.64293800    0.96690900   -0.66518500
 C                  5.24601000   -0.09217400    0.00385100
 C                  4.50042000   -1.05777400    0.67036700
 C                  3.11158600   -0.95324700    0.66497400
 H                  2.77517200    1.86443100   -1.20780700
 H                  5.25822500    1.69302400   -1.18605500
 H                  5.00711900   -1.86640000    1.18650800
 H                  2.52607300   -1.69262500    1.20343100
 F                  6.59004600   -0.18648800    0.00336000 
31
Compound 6
 C                  0.62006100   -2.22771500    0.11681800
 C                  1.58514000   -1.23785500    0.07671700
 C                  1.19988000    0.12294500   -0.01885900
 C                 -0.18613100    0.47737600   -0.06229300
 C                 -1.16968800   -0.56722300    0.01507400
 C                 -0.74312400   -1.88826300    0.08591300
 H                  0.93382200   -3.26405400    0.18721200
 C                  2.19106700    1.13625000   -0.08679600
 C                 -0.51204800    1.85195300   -0.22026900
 H                 -1.48663900   -2.67683500    0.15047400
 C                  0.47069300    2.81982600   -0.29082200
 C                  1.83085500    2.46619900   -0.21401300
 H                 -1.55437200    2.13961300   -0.29891400
 H                  0.19361000    3.86238400   -0.41483600
 H                  2.61175900    3.21770200   -0.26513800
 C                  3.62412400    0.77710900   -0.02957600
 C                  3.01359500   -1.60742400    0.12655100
 O                  3.93605300   -0.57096000    0.07542000
 O                  4.53583100    1.56485600   -0.06696800
 O                  3.43569200   -2.73376300    0.20784000
 C                 -2.63065700   -0.28266800    0.02230200
 C                 -3.47412800   -0.91577300   -0.90524900
 C                 -3.20554400    0.57313800    0.97749300
 C                 -4.85031900   -0.69146500   -0.88643000
 H                 -3.04163000   -1.57336700   -1.65432300
 C                 -4.58270100    0.79137400    0.99924600
 H                 -2.57196300    1.04845000    1.72108300
 C                 -5.40899800    0.16285400    0.06568100
 H                 -5.48547400   -1.18317300   -1.61816800
 H                 -5.01073100    1.44836500    1.75147900
 H                 -6.48143200    0.33601400    0.08186600
28
Compound 7
  C                 -0.52409000   -2.17467100    0.14591900
 C                 -1.53519800   -1.23215900    0.09042400
 C                 -1.21372500    0.14578600    0.00552700
 C                  0.15348200    0.56899500   -0.01384400
 C                  1.18618900   -0.42894200    0.09665800
 C                  0.81985300   -1.77173400    0.15285100
 H                 -0.78836100   -3.22526200    0.20603400
 C                 -2.25260300    1.10911300   -0.07870300
 C                  0.41236900    1.95595600   -0.17850500
 H                  1.59525600   -2.52602700    0.24231800
 C                 -0.61579100    2.87406800   -0.26816900
 C                 -1.95737900    2.45501700   -0.20435700
 H                  1.43953500    2.29280200   -0.25398800
 H                 -0.38810600    3.92762600   -0.39938700
 H                 -2.77391700    3.16653300   -0.26858200
 C                 -3.66737800    0.68028700   -0.04167500
 C                 -2.94400800   -1.67149800    0.11330700
 C                  2.61010800   -0.06590900    0.15802600
 C                  3.23726300    0.89048100    0.92720700
 S                  3.79680700   -0.95392400   -0.78108200
 C                  4.65256600    0.91181200    0.76980300
 H                  2.70109400    1.53185300    1.61783000
 C                  5.10021600   -0.02537300   -0.12124200
 H                  5.30783500    1.59236800    1.30231700
 H                  6.11672000   -0.21929000   -0.43669500
 O                 -3.91509400   -0.68125400    0.05460200
 O                 -4.61521200    1.42354100   -0.08859200
 O                 -3.31096900   -2.81793500    0.18000400
31
Compound 8
 C                 -0.85170600   -2.16667400    0.15660600
 C                 -1.87611300   -1.23900100    0.08709700
 C                 -1.57288800    0.14320100    0.00444400
 C                 -0.21165400    0.58592900    0.00287700
 C                  0.83463300   -0.39644700    0.13230200
 C                  0.48557900   -1.74480300    0.18246100
 H                 -1.10161800   -3.22095000    0.21391500
 C                 -2.62419600    1.09145500   -0.09612900
 C                  0.02918100    1.97555400   -0.16541500
 H                  1.27004700   -2.48808900    0.28414000
 C                 -1.01062400    2.87883600   -0.27207600
 C                 -2.34666300    2.44113700   -0.22264500
 H                  1.05228700    2.32629100   -0.23105700
 H                 -0.79607900    3.93482000   -0.40606300
 H                 -3.17248700    3.14055600   -0.29976000
 C                 -4.03298100    0.64259900   -0.07603000
 C                 -3.27789700   -1.69843400    0.09194500
 C                  2.25000300   -0.01304700    0.22024900
 C                  2.84818800    0.96432500    0.98322100
 S                  3.47545800   -0.90809700   -0.66659700
 C                  4.26646900    0.99599900    0.86192500
 H                  2.29054600    1.61418800    1.64857600
 C                  4.77029300    0.05054300    0.00640100
 H                  4.89869400    1.69660400    1.39816100
 O                 -4.26253400   -0.72193700    0.01950300
 O                 -4.99077500    1.37232700   -0.13632800
 O                 -3.63010600   -2.84989400    0.15490100
 C                  6.20022200   -0.19622700   -0.37157600
 H                  6.52302000   -1.21132300   -0.11074500
 H                  6.36774900   -0.06505800   -1.44749900
 H                  6.84874800    0.50888000    0.15734400
39
Compound 9
 C                  1.75582000   -2.22972100    0.20615400
 C                  2.69765700   -1.21745300    0.13641100
 C                  2.27665700    0.12562100   -0.03158400
 C                  0.88232500    0.43927500   -0.11746900
 C                 -0.08017500   -0.62440900    0.00627000
 C                  0.38674200   -1.92954300    0.14434700
 H                  2.09536900   -3.25276600    0.33158800
 C                  3.24203500    1.16092900   -0.13537100
 C                  0.52665800    1.79189400   -0.36878100
 H                 -0.33479100   -2.73418100    0.24740700
 C                  1.48462000    2.78192500   -0.47518500
 C                  2.85047600    2.47183700   -0.34482100
 H                 -0.51983900    2.04428100   -0.49553200
 H                  1.18279400    3.80642400   -0.67165100
 H                  3.61299900    3.23987000   -0.42193500
 C                  4.68216900    0.84511300   -0.03081400
 C                  4.13128000   -1.54524600    0.22891600
 O                  5.02798100   -0.48594400    0.14692000
 O                  5.57343800    1.65584900   -0.08878200
 O                  4.58478500   -2.65415500    0.36965800
 C                 -1.54140900   -0.38118500   -0.00802900
 C                 -2.38928200   -1.15893300   -0.81510700
 C                 -2.15493900    0.57377000    0.82154300
 C                 -3.76646300   -0.98459100   -0.81805600
 H                 -1.95564700   -1.90635700   -1.47441500
 C                 -3.53179100    0.75386900    0.83993600
 H                 -1.54480000    1.16568400    1.49820200
 C                 -4.38135200   -0.01190700    0.00614800
 H                 -4.36577100   -1.60753900   -1.47089500
 H                 -3.94783800    1.48768000    1.51939400
 N                 -5.75048800    0.18325500   -0.00508400
 C                 -6.60239700   -0.73307500   -0.74501500
 H                 -6.52871100   -1.76855500   -0.37833700
 H                 -7.64082300   -0.41110400   -0.65029200
 H                 -6.35115200   -0.73239200   -1.81290300
 C                 -6.35893300    1.08352200    0.96013500
 H                 -7.43305300    1.13405400    0.77367600
 H                 -5.95739400    2.09946800    0.86076800
 H                 -6.20574200    0.75649800    2.00037700
31
Compound 10
 C                  1.00971800   -2.23307100    0.11633300
 C                  1.96108100   -1.23013300    0.07812900
 C                  1.55747200    0.12515200   -0.01983100
 C                  0.16687300    0.46076500   -0.06892000
 C                 -0.80258400   -0.59723900    0.00807800
 C                 -0.35787200   -1.91216600    0.08247200
 H                  1.33725900   -3.26496700    0.18885900
 C                  2.53515500    1.15161200   -0.08531800
 C                 -0.17648900    1.83052000   -0.23149600
 H                 -1.09004500   -2.71119900    0.14873200
 C                  0.79330100    2.81151500   -0.29933100
 C                  2.15775400    2.47641000   -0.21568000
 H                 -1.22184600    2.10471700   -0.31749500
 H                  0.50270600    3.84990600   -0.42709100
 H                  2.92861100    3.23833600   -0.26470900
 C                  3.97301000    0.81197200   -0.02250600
 C                  3.39454000   -1.58032300    0.13272300
 O                  4.30290300   -0.53157300    0.08466500
 O                  4.87358200    1.61234000   -0.05712200
 O                  3.83095100   -2.70096800    0.21545900
 C                 -2.26679600   -0.33283300    0.01088000
 C                 -3.10266200   -0.98952900   -0.90815800
 C                 -2.85713000    0.52535100    0.95534100
 C                 -4.48203300   -0.79241900   -0.89860300
 H                 -2.66350500   -1.64983200   -1.65030000
 C                 -4.23538200    0.72859400    0.98117000
 H                 -2.23403300    1.02095100    1.69382400
 C                 -5.02675000    0.06647100    0.04900500
 H                 -5.13237400   -1.28802800   -1.61170200
 H                 -4.70013300    1.38040800    1.71346800
 F                 -6.35926400    0.26193700    0.06629700
48
Compound 11
 C                    -0.98126   4.37613  -0.30077 
 C                    -2.09543   3.5679   -0.28148 
 C                    -1.97746   2.15902  -0.14112 
 C                    -0.67766   1.56554   0.00511 
 C                     0.46146   2.43316  -0.01645 
 C                     0.29662   3.8014   -0.17766 
 H                    -1.0831    5.45169  -0.41225 
 H                    -3.08975   3.99665  -0.37915 
 C                    -3.13535   1.34399  -0.16232 
 C                    -0.62342   0.13646   0.11533 
 H                     1.18868   4.41879  -0.20314 
 C                    -1.78071  -0.61797   0.07728 
 C                    -3.06831  -0.03729  -0.05787 
 H                    -1.67372  -1.69286   0.17351 
 C                     1.86911   1.94304   0.10884 
 C                     0.65538  -0.62815   0.2666 
 P                     2.09584   0.31042   0.96166 
 O                     2.82701   2.63045  -0.21232 
 O                     0.71843  -1.83177   0.06366 
 C                     3.87847  -0.66147  -1.07213 
 C                     3.62845  -0.45619   0.30762 
 C                     4.5953   -0.84834   1.26421 
 C                     5.78611  -1.43636   0.8258 
 C                     6.05007  -1.65113  -0.52726 
 C                     5.08505  -1.25318  -1.45572 
 H                     6.52729  -1.73309   1.56468 
 H                     5.27598  -1.40628  -2.51591 
 H                    -4.09796   1.83391  -0.28662 
 C                    -4.25793  -0.89186  -0.08902 
 C                    -4.33948  -2.23416  -0.37776 
 C                    -5.66547  -2.75086  -0.32944 
 H                    -3.477    -2.83587  -0.64272 
 C                    -6.61244  -1.81645  -0.00222 
 H                    -5.91286  -3.78737  -0.53596 
 C                     7.32959  -2.31488  -0.97711 
 H                     7.17247  -3.38482  -1.16852 
 H                     7.70513  -1.87281  -1.90653 
 H                     8.11399  -2.23016  -0.21815 
 C                     2.90091  -0.2677   -2.15455 
 H                     1.94951  -0.79818  -2.04671 
 H                     2.6972    0.80762  -2.13978 
 H                     3.30485  -0.51293  -3.14128 
 C                     4.39976  -0.65538   2.75493 
 H                     4.26365   0.39955   3.01788 
 H                     3.51973  -1.19247   3.12614 
 H                     5.27147  -1.02557   3.30321 
 S                    -5.86083  -0.2599    0.25919 
 C                    -8.09322  -1.99861   0.14448 
 H                    -8.65559  -1.36856  -0.55557 
 H                    -8.35812  -3.04146  -0.05605 
 H                    -8.43851  -1.75324   1.1564 
59
Compound 12
 C                    -2.47525   0.69649  -0.04121 
 C                    -2.32712   2.07485  -0.01032 
 C                    -1.05719   2.70259  -0.03578 
 C                     0.13818   1.9117   -0.13296 
 C                    -0.02696   0.48825  -0.17535 
 C                    -1.2891   -0.07644  -0.11505 
 H                    -3.20719   2.71222   0.01738 
 C                    -0.95959   4.11838   0.03019 
 C                     1.39658   2.59718  -0.13022 
 H                    -1.3448   -1.16005  -0.10649 
 C                     1.44085   3.98073  -0.03654 
 C                     0.26435   4.74854   0.03284 
 H                     2.41652   4.4556   -0.02281 
 C                     1.12107  -0.46786  -0.25389 
 C                     2.71403   1.8943   -0.2052 
 P                     2.69751   0.20321  -0.96883 
 O                     1.00188  -1.65448   0.01382 
 O                     3.76284   2.44392   0.09875 
 C                     4.98222  -1.35655  -1.15476 
 C                     4.08348  -0.75487  -0.24225 
 C                     4.28287  -0.9151    1.15192 
 C                     5.37067  -1.67308   1.59282 
 C                     6.26586  -2.27994   0.70797 
 C                     6.05498  -2.1058   -0.65977 
 H                     5.52238  -1.79205   2.66377 
 H                     6.74362  -2.56469  -1.36585 
 H                    -1.87813   4.69755   0.08642 
 C                    -3.80402   0.0474    0.00663 
 C                    -4.87576   0.61372   0.71636 
 C                    -4.05808  -1.16183  -0.66159 
 C                    -6.12858   0.01695   0.76036 
 H                    -4.72279   1.53424   1.2736 
 C                    -5.30491  -1.77255  -0.63097 
 H                    -3.2705   -1.62707  -1.24815 
 C                    -6.37985  -1.20413   0.09157 
 H                    -6.91174   0.49963   1.33271 
 H                    -5.4422   -2.6942   -1.18359 
 N                    -7.61979  -1.81903   0.15052 
 C                    -7.87825  -2.99477  -0.66255 
 H                    -7.17846  -3.80363  -0.4192 
 H                    -8.88668  -3.35801  -0.45588 
 H                    -7.80038  -2.79167  -1.74244 
 C                    -8.74387  -1.11317   0.74072 
 H                    -8.55692  -0.88059   1.79673 
 H                    -8.97223  -0.16957   0.22062 
 H                    -9.62939  -1.74966   0.69565 
 H                     0.32661   5.83145   0.09005 
 C                     4.83675  -1.22435  -2.6578 
 H                     3.88617  -1.63567  -3.01552 
 H                     4.87394  -0.17877  -2.98326 
 H                     5.64414  -1.76079  -3.16582 
 C                     3.37398  -0.29983   2.18998 
 H                     3.36519   0.79231   2.11669 
 H                     2.34523  -0.65868   2.08511 
 H                     3.71295  -0.56067   3.197 
 C                     7.41358  -3.11538   1.22257 
 H                     7.90079  -2.64077   2.08187 
 H                     7.0654   -4.10254   1.55436 
 H                     8.17103  -3.27702   0.44899
48
Compound 13
 C                     2.27847   3.05723  -0.26414 
 C                     3.09734   1.95495  -0.1605 
 C                     2.56731   0.64045  -0.06357 
 C                     1.13947   0.45454  -0.15733 
 C                     0.3158    1.62651  -0.25118 
 C                     0.88534   2.88962  -0.2814 
 H                     2.708     4.05203  -0.33896 
 H                     4.17307   2.08175  -0.16623 
 C                     3.43169  -0.50115   0.09513 
 C                     0.62225  -0.88185  -0.11818 
 H                     0.21941   3.74442  -0.33943 
 C                     1.48972  -1.95489   0.00479 
 C                     2.87355  -1.77218   0.10593 
 H                     1.06221  -2.95153   0.04172 
 C                    -1.1798    1.58684  -0.31098 
 C                    -0.83286  -1.22093  -0.18792 
 P                    -1.93637   0.03562  -0.98445 
 O                    -1.86102   2.56921  -0.05586 
 O                    -1.25601  -2.31928   0.14327 
 C                    -4.67953  -0.31387  -1.16207 
 C                    -3.60858  -0.13919  -0.25255 
 C                    -3.86505  -0.11063   1.14067 
 C                    -5.1825   -0.25577   1.58454 
 C                    -6.25322  -0.42451   0.70369 
 C                    -5.97859  -0.45431  -0.66417 
 H                    -5.37597  -0.23735   2.65504 
 H                    -6.79731  -0.59192  -1.36719 
 H                     3.51806  -2.63636   0.23424 
 C                     4.88958  -0.3623    0.26045 
 C                     5.6049    0.4335    1.12792 
 S                     5.98451  -1.37385  -0.66551 
 C                     7.01422   0.23581   1.05588 
 H                     5.12934   1.11501   1.82464 
 C                     7.37017  -0.70807   0.13159 
 H                     7.72945   0.77048   1.67145 
 H                     8.36292  -1.04535  -0.13502 
 C                    -2.77935   0.0661    2.1763 
 H                    -2.0408   -0.74017   2.12457 
 H                    -2.2562    1.01918   2.04948 
 H                    -3.20759   0.05661   3.18303 
 C                    -4.48116  -0.36     -2.66417 
 H                    -4.03484   0.56441  -3.04746 
 H                    -3.82188  -1.18148  -2.96618 
 H                    -5.44163  -0.50046  -3.16936 
 C                    -7.66781  -0.54581   1.2177 
 H                    -7.70096  -1.0659    2.1811 
 H                    -8.11835   0.44445   1.36809 
 H                    -8.30545  -1.0905    0.51373 
59
Compound 14
 C                     0.52147  -1.92636  -0.39519 
 C                    -0.34716  -0.85369  -0.26719 
 C                     0.1691    0.44895   0.03853 
 C                     1.59652   0.59999   0.1846 
 C                     2.47166  -0.52185  -0.04021 
 C                     1.90846  -1.76372  -0.29878 
 H                     0.09328  -2.90102  -0.60651 
 C                    -0.65634   1.60016   0.27403 
 C                     2.11554   1.85519   0.60235 
 C                     1.29372   2.93512   0.83911 
 C                    -0.09237   2.80426   0.66701 
 H                     3.18398   1.94962   0.75675 
 H                    -0.76063   3.63942   0.85013 
 C                    -2.14746   1.59128   0.14818 
 C                    -1.79714  -1.15737  -0.44427 
 P                    -2.87752   0.27023  -0.92736 
 O                    -2.23329  -2.2996   -0.40298 
 O                    -2.84281   2.47896   0.62182 
 C                    -6.92864  -0.25679  -0.86346 
 C                    -7.24383  -0.59111   0.4538 
 C                    -6.20146  -0.65687   1.38147 
 C                    -4.87156  -0.40864   1.03043 
 C                    -4.57188  -0.07659  -0.3142 
 C                    -5.6148    0.00076  -1.26813 
 H                    -7.72623  -0.19279  -1.60049 
 H                    -6.42856  -0.90871   2.41542 
 H                     1.71455   3.88134   1.16702 
 H                     2.55993  -2.61524  -0.47134 
 C                     3.95046  -0.40219  -0.00728 
 C                     4.64644   0.54461  -0.77824 
 C                     4.72591  -1.29919   0.74563 
 C                     6.03422   0.60469  -0.79123 
 H                     4.0902    1.23251  -1.40924 
 C                     6.11397  -1.2475    0.75224 
 H                     4.22761  -2.04724   1.35684 
 C                     6.81249  -0.28301  -0.01131 
 H                     6.51272   1.34275  -1.42369 
 H                     6.65507  -1.96226   1.36054 
 N                     8.19556  -0.20749   0.00792 
 C                     8.87899   0.67721  -0.92034 
 H                     8.6933    0.41507  -1.97395 
 H                     8.57075   1.71915  -0.77083 
 H                     9.95412   0.62266  -0.73999 
 C                     8.96194  -1.24933   0.67058 
 H                     8.80279  -2.24391   0.22488 
 H                     10.02465  -1.01018   0.60072 
 H                     8.70641  -1.31065   1.73553 
 C                    -5.37221   0.35662  -2.72165 
 H                    -4.91987   1.3486   -2.83124 
 H                    -4.69921  -0.3559   -3.21158 
 H                    -6.31664   0.35759  -3.27458 
 C                    -3.81934  -0.50431   2.11022 
 H                    -3.07421  -1.27097   1.87597 
 H                    -3.29891   0.44879   2.24718 
 H                    -4.27777  -0.77093   3.06722 
 C                    -8.66491  -0.89601   0.86358 
 H                    -8.84528  -1.97911   0.88556 
 H                    -8.88384  -0.51217   1.86609 
 H                    -9.38647  -0.45836   0.16613 







