BRAT36 -OEChem-04022110193D 48 51 0 0 0 0 0 0 0999 V2000 -2.3627 -1.2297 1.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1528 -1.5812 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1098 -0.2274 0.3922 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 0.3092 0.1857 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1431 1.7164 0.1542 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 0.3339 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -1.0357 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 0.8269 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -0.0643 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -1.9067 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -1.4219 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 1.2249 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 2.1964 -0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 2.5827 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 3.0675 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 -2.0675 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 -1.6482 1.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 0.3689 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 -0.2879 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 0.3899 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0172 0.4234 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7184 -1.6369 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -0.2603 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8601 1.7221 0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0908 -0.2504 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -2.2861 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9955 -1.5916 -1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 2.3340 0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -2.9675 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 -2.1267 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7543 0.8920 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 2.6360 -0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 3.2619 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 4.1253 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 -2.6146 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1269 -1.2371 -1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2061 -2.7529 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8831 -1.8060 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 -2.4752 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 -0.7205 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 1.2368 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 -2.2087 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 2.2762 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0321 0.2712 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 1.1114 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7294 -3.3276 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8505 -2.0900 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2342 3.3737 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 45 1 0 0 0 0 5 21 1 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 22 42 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$