B9TOA2 -OEChem-04042102313D 33 35 0 0 0 0 0 0 0999 V2000 -1.2430 -3.6628 1.8281 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4088 0.3384 2.6352 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.4934 -2.6748 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -1.6036 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 2.8538 0.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5134 0.6297 -0.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 1.9271 0.3359 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 0.6625 0.1204 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 -0.1855 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 1.1220 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0075 -1.1497 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5303 -0.5034 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 1.6899 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 1.5999 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 -1.8641 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 -1.3531 -1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 1.6931 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 1.1796 1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 -2.7819 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 -2.2707 -1.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 0.8543 1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4765 1.3678 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1905 0.9483 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 -2.9850 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 2.9057 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 0.7525 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8319 -1.7059 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 -0.8034 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 2.0208 -1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7002 1.1074 2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 -2.4277 -2.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 -3.6957 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 0.3605 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 23 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 28 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 20 24 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 24 32 1 0 0 0 0 M END $$$$