L4LY2E -OEChem-05022323583D 54 57 0 1 0 0 0 0 0999 V2000 -7.4549 -1.5418 2.1202 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 -2.9959 -0.9255 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 2.6016 0.8367 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 2.7574 -0.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5842 -0.9447 -2.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4727 2.0396 0.3488 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4057 0.8079 -0.8012 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2472 0.4705 0.7601 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 2.0563 -0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 3.0798 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 0.7646 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8303 3.3063 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 1.0374 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 1.7573 -1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 1.8831 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.5496 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9438 0.5333 0.2650 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3729 -0.5341 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3444 1.1999 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4992 -0.8725 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 1.2844 1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 -1.3456 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2428 -0.8664 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 -1.1056 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 -1.9289 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1294 -1.8550 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -3.0739 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 -2.3949 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4613 -3.2184 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -3.4515 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 4.0417 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 2.7274 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 0.2471 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2834 0.0827 0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 3.7966 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 3.9761 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0998 0.0939 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 1.4214 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 2.6800 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 1.4034 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 2.8171 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -0.2083 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 0.3526 1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 1.0513 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2948 2.2711 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5461 0.7863 2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7537 1.3230 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3272 2.3156 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9944 -0.2914 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -1.7792 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4049 -4.0113 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8902 -2.5764 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -4.0406 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9163 -4.4553 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 2 27 1 0 0 0 0 3 9 1 0 0 0 0 3 41 1 0 0 0 0 4 15 2 0 0 0 0 5 18 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 29 2 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$