BBJ4R9 -OEChem-04022117163D 49 52 0 1 0 0 0 0 0999 V2000 6.8577 1.0723 1.4816 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -0.5535 -0.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6850 -1.8193 0.1787 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2388 -3.4364 0.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 1.4304 -0.1647 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1747 2.4802 -0.0438 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5051 -2.2298 0.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1711 2.3254 -0.5675 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1066 3.4547 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 1.0794 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 2.8595 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3432 0.5274 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 1.3749 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 1.5158 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6632 0.9601 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.8191 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 0.3598 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7108 0.0465 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1184 -1.7327 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 0.3402 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4383 -1.2999 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.6740 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 -0.3945 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 1.3366 1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -1.8501 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0487 -1.2503 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7239 -2.7013 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9228 -2.4023 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 2.2948 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 3.6759 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 4.3811 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 0.2099 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6536 0.8785 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 3.3226 0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 3.0255 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 3.3635 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 0.4154 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 1.3372 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8888 2.4491 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 1.5417 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 1.9967 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 -1.1977 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7267 0.4187 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8694 -2.7736 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 2.2167 1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7061 -2.1227 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9910 -1.0245 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6384 -3.6010 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7728 -3.0701 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$