BRI1N5 -OEChem-04012114202D 58 59 0 0 0 0 0 0 0999 V2000 5.6352 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 9.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 3.0872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 8.2522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 9.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.5570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4343 4.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4128 4.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7665 4.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1237 5.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7235 3.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0772 3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1452 6.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8345 7.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 7.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 9.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8277 5.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0267 4.8694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4334 5.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3839 4.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2196 3.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 6.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1442 6.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1061 3.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2704 4.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4633 3.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0566 2.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 6.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 5.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2483 2.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4483 7.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8551 7.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2422 7.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8354 6.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7379 10.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 11.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 11.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 9.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 9.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 8.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 7.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6352 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 58 1 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 41 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 46 1 0 0 0 0 7 19 2 0 0 0 0 7 23 1 0 0 0 0 8 22 1 0 0 0 0 8 23 2 0 0 0 0 9 22 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$