B2MS6B -OEChem-04022116043D 39 42 0 0 0 0 0 0 0999 V2000 -5.8149 -1.9789 0.9101 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 1.9155 -0.6460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2128 -3.4305 -0.5241 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9626 2.5921 0.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -2.1606 0.5087 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 0.0700 -0.2109 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2809 -0.4735 0.1821 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2166 0.1727 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.9997 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 -1.0941 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8173 0.1086 0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 -2.2014 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 -2.2469 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 1.3743 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 -0.9357 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 1.4193 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 -1.1213 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 0.2667 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4982 0.1843 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 1.5094 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 0.3466 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7665 -0.3603 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 2.3059 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9118 0.4270 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8122 1.7425 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 2.5681 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2851 1.0133 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 -3.1074 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 2.2855 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -1.8251 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0951 0.2309 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 0.8577 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4993 3.3338 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8925 0.0158 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7118 2.3421 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 -4.1171 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6939 2.3102 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 1.9170 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7424 3.5840 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 4 16 1 0 0 0 0 4 26 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 6 32 1 0 0 0 0 7 19 1 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$