BCRQ94 -OEChem-04042103013D 31 31 0 1 0 0 0 0 0999 V2000 -1.3262 -0.3209 0.3694 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1742 0.3849 0.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 1.6364 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 1.5912 -0.8674 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2873 -1.0990 -0.3039 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 -0.5105 0.3221 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8353 -1.0437 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -1.1090 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -0.7110 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -1.4614 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 0.4024 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 -1.0915 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 0.7723 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 0.0253 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2238 0.9973 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6981 1.5371 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -0.7870 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 -2.1328 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 -0.8067 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 -0.8417 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 -2.1980 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 -2.3324 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 0.9915 -1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -1.6772 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 1.6501 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1204 -0.8217 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -2.1152 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 2.6094 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 1.3891 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 1.6769 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 2.4411 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$