BI45TR -OEChem-04022102383D 32 32 0 1 0 0 0 0 0999 V2000 -3.8736 -2.2085 -0.2761 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3707 0.4986 -1.6652 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 4.1047 0.7547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 2.8161 -0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4193 -0.4297 0.4623 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 -1.7855 0.0567 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1816 -2.2736 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 -2.7235 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 -1.3911 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1165 -1.6638 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 -0.3259 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 0.6092 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 1.9329 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -0.8489 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 0.4889 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 0.2275 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 2.9725 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -1.8160 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -2.3275 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -3.3010 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 -3.7455 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 -2.7434 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 -0.2496 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -2.4981 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 -0.1139 2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 2.3230 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 1.7922 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -1.0520 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 1.3274 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 -2.3231 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.8624 -0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 4.7735 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 30 1 0 0 0 0 2 12 2 0 0 0 0 3 17 1 0 0 0 0 3 32 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$