BH12SJ -OEChem-04012113572D 49 52 0 1 0 0 0 0 0999 V2000 6.1808 5.5194 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.0194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0194 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 -3.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 -4.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 -5.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -5.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 -4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 1.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 1.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -0.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 -4.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -1.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -2.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -3.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 5 16 1 0 0 0 0 5 28 1 0 0 0 0 6 19 1 0 0 0 0 6 31 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 30 2 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 24 2 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 29 2 0 0 0 0 25 42 1 0 0 0 0 26 29 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$