B3SN9X -OEChem-04012113532D 28 30 0 0 0 0 0 0 0999 V2000 5.0274 1.7417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -0.7418 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 0.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4134 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4615 2.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1391 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 2.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4189 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2519 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -0.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 3.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3766 -2.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0515 2.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 18 2 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 20 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$