BD3SH6 -OEChem-04022106342D 58 62 0 1 0 0 0 0 0999 V2000 7.1254 0.1018 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.3982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 1.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 3.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 0.1018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3364 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -1.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -1.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -3.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -3.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -2.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -3.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -3.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 -0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7235 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -1.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6175 0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6175 -1.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 0.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 -0.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 0.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8609 -0.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6579 -0.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 1.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -1.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -1.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 1.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -4.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -4.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -2.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -3.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 3.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 2.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 0.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4545 -1.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 3.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6624 2.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -2.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6103 0.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6103 -2.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0593 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0593 -1.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 37 1 0 0 0 0 4 21 1 0 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 11 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 14 21 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$