B2JVZ9 -OEChem-04012116182D 55 57 0 1 0 0 0 0 0999 V2000 13.2399 -3.0445 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5426 -0.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 3.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.4891 0.0000 N 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 6.3301 1.0099 0.0000 C 0 0 1 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 2.3660 1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5099 0.0000 C 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 6.3301 0.0099 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 10.6603 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 0.9752 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 9.7942 3.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4028 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 -2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1232 -1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6999 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 1.4631 0.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 2.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -0.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -0.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 -0.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 2.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8508 -1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2817 0.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 -0.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6565 -1.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 15 2 0 0 0 0 4 18 2 0 0 0 0 11 5 1 1 0 0 0 5 18 1 0 0 0 0 5 42 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 46 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 7 50 1 0 0 0 0 8 21 1 0 0 0 0 8 26 2 0 0 0 0 9 22 2 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 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 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$