BO4RS5 -OEChem-04022117443D 56 59 0 0 0 0 0 0 0999 V2000 -6.0243 0.0112 -1.8783 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 0.3039 2.5544 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9843 -3.4642 -0.9784 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -1.3071 0.7963 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 1.3298 -0.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 0.3728 0.4191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 -0.6166 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -0.2002 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 1.5990 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -1.8720 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 -1.4333 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -2.3679 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 2.4602 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6006 -2.5640 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.7257 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6831 3.2176 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 2.4999 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 -2.2306 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3804 -0.9290 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 4.0144 -0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1452 3.2970 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 4.0542 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 -1.4143 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -0.7176 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 -2.7302 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -0.3832 -1.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 4.9052 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0569 -1.0978 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0923 0.0396 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9161 -2.4135 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1584 0.3741 -1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6492 -1.5974 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 0.5854 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 -0.8871 1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -0.1694 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 -0.4483 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4613 0.5730 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 2.2100 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 1.3863 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 -3.4613 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.6048 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 3.1943 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 1.9141 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 4.5980 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 3.3173 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 -1.0256 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -1.1507 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -3.3673 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 -0.5387 -2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 5.7750 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 5.2875 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6694 4.3242 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3637 -2.8101 2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 0.7931 -2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1699 -1.7439 1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1174 1.6192 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 32 1 0 0 0 0 4 55 1 0 0 0 0 5 33 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 13 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 40 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 21 2 0 0 0 0 17 43 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 24 29 1 0 0 0 0 24 47 1 0 0 0 0 25 30 2 0 0 0 0 25 48 1 0 0 0 0 26 31 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$