BOCA16 -OEChem-04022106313D 29 30 0 0 0 0 0 0 0999 V2000 -1.8702 1.8039 -1.9986 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -2.5402 -0.6103 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 1.6634 0.8266 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 -0.4117 1.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 2.9284 0.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 1.3275 2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 1.3655 -0.1624 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 -1.3220 1.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 0.3381 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 0.5084 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 -0.0533 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 -1.0890 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.5750 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.5005 1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3003 0.4831 -2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7949 -1.8898 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1969 -0.3675 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 -1.4429 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5054 -1.3765 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 1.9509 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -0.5950 2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 0.4646 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 1.5190 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 -0.0956 -2.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 -1.2428 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 -2.6050 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5453 -2.4568 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7228 -0.3179 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 -2.2247 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$