BB1XP3 -OEChem-04022102383D 28 29 0 0 0 0 0 0 0999 V2000 3.1541 1.8908 -0.8946 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 2.6332 0.2443 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 1.7004 1.2768 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9761 1.6661 0.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -0.9000 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 -2.9687 -0.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 -0.7500 -0.0376 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.3503 -0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 0.0816 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 -1.3667 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 0.3079 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 1.0732 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 0.7170 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -1.6620 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 -0.6704 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 1.6476 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -2.0768 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 2.1257 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -1.0985 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 2.1277 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -2.6985 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 -0.5422 -0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 2.8615 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6989 1.3134 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 2.6223 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3177 -1.2657 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0826 -0.2208 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7965 -1.9846 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$