B2AS0V -OEChem-04022103413D 49 51 0 0 0 0 0 0 0999 V2000 8.7361 0.3078 0.3097 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1897 -0.1405 1.5978 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3417 3.1476 -1.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4984 -0.7078 1.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2755 0.1225 2.6885 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -3.0295 -0.9891 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 2.1202 -1.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 1.2824 0.6616 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7996 -0.8588 -0.1843 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 -0.8209 -0.1997 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 1.2086 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.8974 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5795 2.6071 -1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3982 3.2671 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 -1.1773 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 -1.1885 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -1.9838 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -2.0061 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4451 -2.8018 -1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 -2.8128 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 -2.0179 -0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 0.2713 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 0.2935 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 1.2159 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 -0.6243 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 1.5261 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 1.2203 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -0.6201 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 0.3022 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3206 0.8241 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 0.5554 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 1.2782 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3827 2.0090 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0094 3.2816 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2691 2.5687 -1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 3.7136 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 3.9515 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.5753 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -1.9891 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0205 -3.4284 -2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5599 -3.4533 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 -0.0188 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -1.3463 1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 1.9280 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 1.2920 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7115 2.2932 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8871 1.9396 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8232 -1.3406 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.6758 -1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 6 21 2 0 0 0 0 7 24 1 0 0 0 0 7 49 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 42 1 0 0 0 0 10 22 2 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$