BEJ91S -OEChem-04012115173D 53 57 0 0 0 0 0 0 0999 V2000 -7.0479 -0.5680 1.1658 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7357 3.4244 0.1856 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 0.4454 -2.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 3.1395 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1699 4.5159 -0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9087 -0.6325 -0.2313 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 -1.3748 -1.1163 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9582 0.2880 -0.3697 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 -1.8058 -1.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 -3.8132 1.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 0.1071 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 0.2687 -1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4403 -0.5805 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -1.7030 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -0.4041 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 -2.1535 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 -1.5535 -1.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.2876 1.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -0.9918 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6938 0.3032 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -3.2022 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 1.5152 -0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -3.3427 2.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 1.9461 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4211 -1.0209 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 1.3295 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 3.6964 1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7329 -1.2843 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9361 1.0776 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -0.2793 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 4.9408 1.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 0.9658 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6406 1.2262 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 -0.2373 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 -1.6504 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1425 -0.1951 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -2.6198 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 -1.0398 -2.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 -1.9590 2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -3.5979 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 2.3443 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 1.3961 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 2.1364 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4493 1.1642 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -3.8647 3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 2.3208 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 3.7861 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 2.8144 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 -2.2965 -0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5425 1.8660 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 5.8304 1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 5.0896 2.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 4.8660 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 19 1 0 0 0 0 9 25 2 0 0 0 0 10 21 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 45 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$