BBOT96 -OEChem-04022108303D 27 28 0 0 0 0 0 0 0999 V2000 -4.7747 0.6080 0.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3088 2.3228 0.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 0.7867 0.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -0.5774 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -0.2280 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 0.4184 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -1.9105 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 -1.1352 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 1.0158 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 0.0810 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 0.4455 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 -0.7985 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9998 1.3525 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -2.2477 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 -1.2521 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 1.1187 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.4605 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1579 -2.7161 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -2.1025 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 1.7418 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -1.5110 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 2.3220 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -3.2850 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 -1.5605 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 1.6892 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 0.1305 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4555 1.3098 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 16 2 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$