10953 -OEChem-03282419163D 15 15 0 0 0 0 0 0 0999 V2000 -0.3879 1.1671 0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 -0.0318 -0.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 -1.1804 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.0561 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 -1.2750 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 1.2698 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -0.0057 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 -2.0770 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 -1.1291 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 -0.0071 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.1355 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 -1.5389 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 -2.0709 -0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 2.1609 0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 1.4473 -1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END > 10953 > 0.4 > 1 > 5 1 -0.43 2 -0.57 5 0.06 6 0.28 7 0.66 > 1 > 2 1 2 acceptor 6 1 3 4 5 6 7 rings > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00002AC900000001 > 7.3321 > 10.148 > 16714656 1 18410580591233165150 18185500 45 18413385427836087271 20096714 4 18338236084468202322 21040471 1 18267022949714889448 23552423 10 17757004302389157494 29004967 10 18408327670084901619 > 132.32 2.25 1.46 0.63 0.66 0.03 0 -0.07 0.03 -0.32 -0.06 -0.08 0.03 0.04 > 258.149 > 78.4 > 2 5 10 $$$$