L6VMR1 -OEChem-05032300033D 54 60 0 1 0 0 0 0 0999 V2000 -4.8572 3.2568 -0.8054 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7902 1.5196 1.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 0.1918 0.5824 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 -0.1139 1.1101 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5932 -2.0593 0.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6332 -0.2768 -2.0581 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1884 -2.5510 -1.3347 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 0.3903 1.4595 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1965 -0.7773 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 -0.3430 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 1.5387 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.0799 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 -1.2399 0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 -2.1017 1.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6214 2.8722 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 1.9583 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -2.5785 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -0.8732 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 -3.0049 1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 3.7567 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 3.3042 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 0.7820 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8476 -0.9125 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 0.4560 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 -0.4703 1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 -0.5515 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9842 -0.8609 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0467 -0.1529 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2547 1.4107 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 -1.1955 -1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5588 -0.5808 -2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3383 0.2058 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2375 0.9999 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 -0.2170 -2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7471 0.1770 -1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 -3.0394 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 0.5705 2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 -0.3750 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 -2.4332 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 3.2300 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0374 1.6648 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6938 -3.3172 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 -4.0508 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 4.8086 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 4.0125 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 -1.2237 -1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 -0.4143 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 -0.8873 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -2.1985 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 0.5181 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7715 1.7259 -2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 -0.2408 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 0.4627 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -4.0831 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 22 2 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 3 38 1 0 0 0 0 4 25 2 0 0 0 0 4 28 1 0 0 0 0 5 27 1 0 0 0 0 5 36 1 0 0 0 0 5 49 1 0 0 0 0 6 30 2 0 0 0 0 6 33 1 0 0 0 0 7 30 1 0 0 0 0 7 36 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 24 29 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 31 2 0 0 0 0 27 30 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 31 34 1 0 0 0 0 31 48 1 0 0 0 0 32 35 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 34 35 2 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 54 1 0 0 0 0 M END $$$$