B1TDK2 -OEChem-04012116182D 62 64 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 5.4641 -1.4901 0.0000 S 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 6.3301 1.0099 0.0000 C 0 0 2 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 2.8660 1.0099 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 5.4641 -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 2.3660 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 4.5981 1.0099 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 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 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 11.5542 0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9901 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 6.5422 -0.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.1175 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 5.2520 0.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.5978 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 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 4.2881 -1.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.5271 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 32 1 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 14 2 0 0 0 0 5 19 2 0 0 0 0 11 6 1 1 0 0 0 6 19 1 0 0 0 0 6 38 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 50 1 0 0 0 0 8 26 1 0 0 0 0 8 28 1 0 0 0 0 8 54 1 0 0 0 0 9 23 1 0 0 0 0 9 29 2 0 0 0 0 10 26 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 53 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 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END $$$$