BD67IK -OEChem-04012119022D 42 45 0 1 0 0 0 0 0999 V2000 6.4577 0.3417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 4.1773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 3.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 -1.9053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 3.2465 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4828 0.1191 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0489 -0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2396 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2396 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1335 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1335 -1.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 -3.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0396 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0396 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 0.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 -0.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 -1.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 0.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8377 1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 0.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 1.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 3.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 -2.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -1.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8377 -3.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5753 0.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5753 -1.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 -3.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 -4.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -4.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 9 2 0 0 0 0 4 12 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 18 2 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 22 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 2 2 -1 5 1 M END $$$$