10887863 -OEChem-03282416363D 15 15 0 0 0 0 0 0 0999 V2000 2.3447 -1.0019 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 -0.9574 -0.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 1.0191 -0.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 1.0700 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 1.7125 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -1.0934 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2743 -0.3929 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.3560 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1389 1.5597 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.1402 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 1.6699 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 2.7587 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -2.0492 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 -1.2831 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 1.5648 -0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END > 10887863 > 0.4 > 1 2 > 9 1 -0.57 15 0.37 2 -0.57 3 -0.73 4 0.06 5 0.3 6 0.12 7 0.45 8 0.57 > 0.8 > 5 1 1 acceptor 1 2 acceptor 1 3 donor 1 6 anion 6 3 4 5 6 7 8 rings > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 8 > 00A622B700000001 > 9.7413 > 25.371 > 16714656 1 18050573941169317788 18185500 45 18263363581712461170 21040471 1 17113537575968589137 23552423 10 18188780422688336070 241688 4 18337108973359697928 29004967 10 18338519767010630563 > 147.92 2.49 1.65 0.64 0.28 0.48 -0.01 -0.92 0.25 -0.19 -0.11 -0.02 0.04 -0.1 > 295.262 > 86.5 > 2 5 10 $$$$