NCI:673656 BBtclserve11129920142D 0 0.00000 0.00000237249 999-99-9 60 65 0 0 0 0 0 0 0 0 1 V2000 10.9804 1.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6039 1.2054 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 0.5819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0903 1.2054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 -2.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8746 -1.3191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6039 -2.8435 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9804 -3.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9746 -5.7102 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 -5.2652 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 13.9493 3.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0984 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0185 3.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3857 1.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2366 2.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6799 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -4.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7049 -4.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4102 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0402 1.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8746 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2226 3.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2254 3.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 3.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 4.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 4.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 5.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8997 -1.5416 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 -2.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7312 3.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6565 2.1064 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5574 2.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9494 -4.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0185 -5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2367 -4.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0984 -3.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3857 -3.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 -3.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7312 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 -2.2200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0402 -2.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 -2.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 -2.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -2.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -2.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 6 9 2 0 0 0 0 9 10 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 2 17 1 0 0 0 0 16 18 2 0 0 0 0 3 19 1 0 0 0 0 19 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 2 0 0 0 0 12 23 1 0 0 0 0 23 24 2 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 8 27 1 0 0 0 0 4 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 30 34 2 0 0 0 0 33 35 1 0 0 0 0 7 36 2 0 0 0 0 36 37 2 0 0 0 0 13 38 1 0 0 0 0 4 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 2 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 9 46 1 0 0 0 0 45 47 2 0 0 0 0 42 48 1 0 0 0 0 9 49 1 0 0 0 0 49 50 1 0 0 0 0 22 51 1 0 0 0 0 24 52 1 0 0 0 0 8 53 1 0 0 0 0 36 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 55 59 2 0 0 0 0 58 60 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 21 23 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 33 34 1 0 0 0 0 8 36 1 0 0 0 0 29 39 1 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 20 49 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 58 59 1 0 0 0 0 M END