B1IR3H -OEChem-04022111293D 44 47 0 0 0 0 0 0 0999 V2000 7.7341 2.2421 -0.3622 Br 0 0 0 0 0 0 0 0 0 0 0 0 -8.6168 -1.1202 -0.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 -1.9457 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7324 0.3391 -0.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5958 0.0305 0.0514 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 -2.1395 0.3153 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4149 -0.5384 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 1.0577 0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7301 -1.0540 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9621 1.2783 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4876 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 0.3629 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6498 0.7608 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9708 -0.1234 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 0.7850 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 0.5115 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 0.9094 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.0429 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 0.0581 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 0.9399 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 -1.2428 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -1.4826 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 1.1127 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -1.5401 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 0.8339 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 -0.4797 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 -1.4071 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 0.0190 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 2.0402 1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 0.4776 1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 -1.6719 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5376 -1.6821 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5795 1.7762 1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9458 1.9246 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 0.1654 -2.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 0.8488 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4747 0.7924 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 0.4148 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 1.1189 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 1.9633 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -3.1343 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 2.1237 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 -2.5521 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0237 -0.6862 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$