B54UWE -OEChem-04022102093D 36 39 0 0 0 0 0 0 0999 V2000 3.3619 -3.0910 -0.0028 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 3.2116 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 -1.4255 0.0058 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9271 0.3352 0.0073 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 0.6508 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2514 2.6700 0.0046 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 1.9590 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 -3.4575 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -3.7475 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 -1.9769 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 -2.4792 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -0.0773 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 0.8644 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 2.1997 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 1.8122 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1505 1.6668 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 1.0373 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 -0.3379 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1454 1.5228 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6785 -1.2278 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2196 0.6330 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 -0.7423 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2461 -3.6161 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 -4.0869 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0415 -4.6446 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -3.8781 -1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -1.5637 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -1.8469 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1406 -2.3169 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8348 -2.5413 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1925 1.9678 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 2.9205 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 -0.7486 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3418 2.5918 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2378 1.0110 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 -1.4220 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 4 16 2 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 14 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 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 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$