B1KOX8 -OEChem-04022103092D 53 55 0 1 0 0 0 0 0999 V2000 14.1405 0.5647 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 0.5247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -2.5446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.9891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5099 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2687 1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2572 2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 0.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4157 -0.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9847 2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3782 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7905 2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 10 1 0 0 0 0 2 45 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 16 2 0 0 0 0 5 21 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 48 1 0 0 0 0 7 19 1 0 0 0 0 7 23 2 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$