BL1Z0K -OEChem-04022108463D 49 52 0 0 0 0 0 0 0999 V2000 -7.0947 -0.3871 -2.3280 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 2.0058 0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 -3.4788 -0.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 1.9579 0.7146 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 3.0146 -0.2523 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -0.6492 0.6101 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.5736 -0.2598 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 3.7477 -1.1229 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 0.7399 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 0.4389 1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 0.7435 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 -0.0331 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 1.9764 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -0.1729 0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 0.5654 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 0.6491 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 -1.5484 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 -2.1252 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3771 0.0723 -0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 2.7200 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 -1.3148 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0362 -1.0983 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -0.6076 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 -2.0324 1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3391 2.7568 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0867 -1.0512 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 -2.4760 1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6492 -1.9854 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 -4.0015 -1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 -0.2481 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 1.3409 2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -1.0469 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 2.7246 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 -2.1826 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -1.2895 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 0.6383 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -1.6975 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 0.0930 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -2.4215 2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3848 4.6296 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 3.5870 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 2.6197 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 2.5457 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1793 3.8149 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -3.2031 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6661 -2.3414 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 -5.0925 -1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 -3.7584 -1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2922 -3.6867 -2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 13 1 0 0 0 0 5 20 2 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 35 1 0 0 0 0 7 15 2 0 0 0 0 7 20 1 0 0 0 0 8 20 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 32 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$