8461 -OEChem-03282405103D 19 19 0 0 0 0 0 0 0999 V2000 1.9050 -2.3190 0.0006 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2733 -0.6023 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6846 0.3675 0.0004 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8498 -1.6628 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 -1.0831 0.0002 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7049 -0.4165 0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1879 1.1860 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -0.1966 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -0.7279 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 0.1236 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 2.0374 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 1.5062 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 1.7876 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4347 -1.8053 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 3.1172 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 2.1996 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 1.5414 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 1.5417 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4886 2.8835 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 M CHG 4 1 -1 3 -1 5 1 6 1 M END > 8461 > 0.6 > 1 > 16 1 -0.52 10 0.13 11 -0.15 12 -0.15 13 0.14 14 0.15 15 0.15 16 0.15 2 -0.52 3 -0.52 4 -0.52 5 0.91 6 0.91 7 -0.14 8 0.13 9 -0.15 > 2 > 7 1 1 acceptor 1 1 anion 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 6 7 8 9 10 11 12 rings > 13 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000210D00000001 > 48.4861 > 35.686 > 10967382 1 18410573980935631111 11471102 20 18410288138177848557 12932764 1 17385713691185897761 13380535 76 18191020321010182402 14128692 85 18411423886354919564 14251717 144 18267296706624949791 14325111 11 18338799038832836837 161256 15 18409727348566726692 16945 1 18338517417721717092 17990270 104 18336263560718703147 19021347 11 18266458908818624028 193761 8 18266741281549533696 20201158 50 18408321072999505435 20645477 70 18412541033567085495 20871998 184 17913481351024229454 20871998 22 18270688545525600102 21501502 16 18411142394045709696 23402655 69 18341319068745919757 23463225 33 18411138017436683076 23552423 10 18334860514956598708 23559900 14 17404858160623174206 241688 4 18263926540330047120 2748010 2 18337954605106853701 528886 8 18267298918585913184 53812653 166 18199747131772988152 63268167 104 18340209686602821745 7364860 26 18343021107817674920 8809292 202 18259990383133834819 > 234.09 4.72 2.2 0.57 1.99 0.15 0 1.02 0 -0.96 0 -0.02 -0.05 0 > 495.388 > 132.3 > 2 5 10 $$$$