B8ACZ7 -OEChem-04042107373D 38 38 0 1 0 0 0 0 0999 V2000 1.7273 -0.4708 1.1965 S 0 3 2 0 0 0 0 0 0 0 0 0 -3.3275 1.4069 -0.2414 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 0.7295 0.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -1.6966 -1.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 3.0138 -0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -0.4020 1.9208 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 -0.2120 0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -2.8704 -0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 1.8347 0.1418 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2605 1.9192 0.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 1.5218 -1.6723 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 0.7106 -0.1204 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6811 0.2971 -0.5069 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6809 -1.2267 -0.5554 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9875 -1.7141 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 -1.1988 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 2.1373 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 -0.3955 0.5245 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1411 -0.9621 -0.2607 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4408 -2.4221 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 0.5839 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9536 0.7246 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 -1.6262 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -2.7002 0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.7466 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2283 -2.2034 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5613 -1.3015 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 2.3213 1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 2.3734 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 0.6154 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 -0.8891 -1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 0.4392 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 -2.6684 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6058 -3.0845 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 -2.5441 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 2.9290 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 -1.3221 2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3685 -2.7754 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 17 1 0 0 0 0 5 36 1 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 2 1 1 9 -1 M END $$$$