BR3WH9 -OEChem-04012115022D 44 46 0 0 0 0 0 0 0999 V2000 9.1070 4.1921 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 3.2152 2.9202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 4.5296 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5044 5.6864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 5.0193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 5.5126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 1.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 5.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 6.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9036 6.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5059 7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0965 8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0906 8.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 1.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 1.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 6.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 5.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 1.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 2.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2012 0.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 0.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6657 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 0.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 1.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 7.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1106 7.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8463 8.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 8.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 15 2 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$