BD52OX -OEChem-04022100452D 56 59 0 1 0 0 0 0 0999 V2000 6.9799 -4.9604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.9604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 3.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 3.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2046 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 0.2245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 1.5120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5092 1.5120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9819 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 4.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6223 -2.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -4.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 -3.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 -4.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 -4.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 1.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 0.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 0.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 3.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 2.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 2.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 3.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 2.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 1.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 1.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 0.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 0.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 0.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 4.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 4.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 -2.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 -0.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -1.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -1.8398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 -2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 -4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -3.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1664 -5.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 5 19 2 0 0 0 0 6 20 1 0 0 0 0 6 23 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END $$$$