68152 -OEChem-09232116023D 12 11 0 0 0 0 0 0 0999 V2000 -1.8431 0.3169 -0.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8864 -0.5663 -0.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8867 1.2542 0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 -0.8839 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 -0.1794 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 0.0585 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.2985 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 -1.6998 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 0.6619 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 -0.8794 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 0.7537 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 0.0542 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END > 68152 > 0.4 > 1 6 7 2 8 5 3 4 > 8 1 -0.68 11 0.4 12 0.5 2 -0.65 3 -0.57 4 0.06 5 0.28 6 0.66 > 2 > 5 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 3 2 3 6 anion > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00010A3800000001 > 2.5022 > 25.43 > 139733 1 11458717148156153066 16714656 1 17386303059182671351 20096714 4 18334289890086367681 21040471 1 17603854586059765131 24536 1 18130224964298335403 29004967 10 18202293480543747802 5943 1 14492981229114141370 > 105.87 2.28 1 0.81 0.23 0.08 0.05 0.05 0.45 -0.14 -0.11 0.11 0.03 0.3 > 190.8 > 68.1 > 2 5 10 $$$$