BRI6N5 -OEChem-04022101303D 57 60 0 1 0 0 0 0 0999 V2000 3.1339 1.8085 -1.5773 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0655 0.1640 1.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 0.3082 -2.5935 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 3.6239 -0.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6286 0.8393 -2.5359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 3.2209 -1.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 0.6448 -0.5969 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 -1.4405 -1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 1.5807 -1.3625 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 -1.6186 0.0709 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8913 2.0783 -0.6222 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5501 -0.1763 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 -2.4820 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 2.7450 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -0.1033 -1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 2.5211 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 -3.9539 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 2.4109 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 1.3110 1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0277 3.2026 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -4.6340 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 -4.6345 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 1.3159 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8244 1.0027 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3825 2.8942 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -5.9948 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5927 -5.9953 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 1.7943 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 -6.6754 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -0.0159 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8715 2.2582 1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -0.4056 1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 1.8687 2.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 0.5368 2.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 -1.9906 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 2.4377 -1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 -2.2674 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -2.2486 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 2.4967 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 3.8366 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 -2.1984 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 0.7042 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 0.6925 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 4.0605 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -4.1142 2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 -4.1166 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 0.1481 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1271 3.5103 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -6.5244 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -6.5254 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8356 1.5545 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -7.7350 0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 -0.7685 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 3.2995 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 -1.4432 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 2.6020 3.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 0.2333 3.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 41 1 0 0 0 0 9 16 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 20 25 2 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 21 45 1 0 0 0 0 22 27 2 0 0 0 0 22 46 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 28 2 0 0 0 0 24 47 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$