BR12CA -OEChem-04012115433D 53 55 0 0 0 0 0 0 0999 V2000 5.3703 1.3706 -0.6560 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 1.9644 -1.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 1.8224 0.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 2.0478 0.8671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5472 1.2640 1.9625 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6324 0.6889 -2.7515 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8158 -1.3368 -2.5305 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -0.3191 -0.7778 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 0.6448 -0.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3648 -0.3166 -2.0532 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8828 -1.1179 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 -2.5306 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 1.5722 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8062 -2.5574 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.7123 -1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 1.5917 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -2.5032 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -2.6368 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 1.8911 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 1.8717 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9725 1.7511 1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -2.5283 -1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -2.6621 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -2.6079 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 1.5476 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 0.1694 0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 1.1374 0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6961 -0.2991 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 0.1751 1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9505 -0.7622 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3965 -0.2880 2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3008 -0.7565 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 -0.6369 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 -1.1761 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6388 -3.1230 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 -3.0349 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 -0.7315 -1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 1.6983 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 1.4783 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -2.4438 -1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 -2.6764 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 2.0025 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 1.7634 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 -2.4848 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 -2.7218 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 -2.6250 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 0.6523 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 2.3345 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3056 0.6193 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5046 0.5188 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6661 -1.1306 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6707 -0.2844 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2775 -1.1170 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 27 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 49 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 21 2 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 23 2 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$