69708271 -OEChem-03282408493D 35 37 0 0 0 0 0 0 0999 V2000 -3.3356 2.8956 0.1823 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 -1.5173 -2.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2074 0.4870 2.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -0.0413 0.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 -0.5175 -0.0153 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3315 0.0612 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 0.4913 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 1.4272 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 1.6998 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 -0.6655 -1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 -1.8707 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5157 0.1015 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 2.4331 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 -0.4636 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -2.2329 0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7575 -1.2043 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.0744 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 -0.6653 -1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 0.1134 1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 -0.4774 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8059 -0.0881 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1649 0.1084 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -2.5968 -0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2331 0.8542 1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 3.3694 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 2.0808 -2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 2.6583 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 -3.2705 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 -1.5227 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 0.0786 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.9626 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 2.7989 0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8574 0.4145 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4075 -0.6380 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 0.6170 2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 32 1 0 0 0 0 2 10 2 0 0 0 0 3 22 1 0 0 0 0 3 35 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 M END > 69708271 > 0.6 > 1 12 9 10 13 7 8 3 15 14 2 16 4 11 6 5 > 32 1 -0.51 10 0.57 11 -0.18 12 -0.11 13 0.18 14 0.09 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 0.09 22 0.63 23 0.15 24 0.15 28 0.15 29 0.15 3 -0.65 30 0.15 31 0.15 32 0.45 33 0.15 34 0.15 35 0.5 4 -0.57 5 0.33 6 -0.24 7 -0.2 8 -0.18 9 0.06 > 3 > 9 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 3 3 4 22 anion 5 5 6 7 8 9 rings 6 14 17 18 19 20 21 rings 6 5 7 11 12 15 16 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0427A9EF00000001 > 63.4576 > 45.829 > 10 15 18201709700673986368 10319926 262 18338229346339988794 10366900 7 18341600538620651739 11370993 144 17631466587250745507 12107183 9 17610892392648907426 12236239 1 17095528400186617046 12403259 118 18410288116771902092 12403259 415 17916877824109962270 12507560 40 18270965643978141502 12596602 18 17748824125268275056 12633257 1 18339655507083317545 12892183 10 18409162186889744762 13140716 1 18192728941243206867 13583140 156 18190718917612058472 13675066 3 18273494564051364350 14081887 123 18411142420247763931 14178342 30 18188214195379267583 14341114 176 18409452483797567512 14341114 328 18040724657926549348 14420673 8 17757267085953520138 14787075 74 17604153726543198652 15099037 37 18410014338434120981 15163728 17 11670412633513353075 167882 2 11310963624533328372 16988056 13 11012103053984779531 17349148 13 16443065002188378650 1813 80 16298675988425710694 18186145 218 16630528406013814430 18219364 16 17489583459060257083 18785283 64 17915174848356158304 19377110 9 17749110032640613964 19784866 240 16153709838299955091 200 152 15574710300646686502 20600515 1 18337971068344136437 20645477 56 17775564256365822294 20645477 70 13767927936058864546 21033648 29 17703779297977275024 21065199 12 18341052921711078374 21650355 55 18261114088834342517 22122407 14 15913063031512070475 22182313 1 17988090993238980892 22854114 59 17775573035078677439 23198884 109 12103847864891625288 23366157 5 17390244946224336597 23402539 116 18259981599946735215 23557571 272 18340219509177054084 23559900 14 18121517768425240287 27216 239 18130779058082063017 2748010 2 17904225645779257015 3009799 131 18261662741290022255 339767 52 17894909646480740235 474 4 15410898461302668798 5104073 3 18269280058187534322 602551 16 18335708268734681890 633830 44 15266794238204246132 7097593 13 17679014907316631522 90316 7 17896043161201497517 > 424.29 11.12 2.08 1.51 10.37 1.05 -0.15 -1.97 5.73 -3.39 -0.15 1.13 -0.25 0.59 > 942.72 > 225.4 > 2 5 10 $$$$