NCI:111704 BBtclserve11129917302D 0 0.00000 0.00000 85522 999-99-9 49 53 0 0 0 0 0 0 0 0 2 V2000 6.3582 1.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 2.5767 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 0.9294 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8934 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5171 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6366 4.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5876 3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4287 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 2.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 4.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 3.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3308 4.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 5.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 2.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8712 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1229 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 -1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 -0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3712 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.8712 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 16 24 1 0 0 0 0 17 25 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 22 28 2 0 0 0 0 24 29 2 0 0 0 0 26 30 2 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 2 0 0 0 0 37 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 2 0 0 0 0 40 43 1 0 0 0 0 41 44 2 0 0 0 0 42 45 1 0 0 0 0 43 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 12 13 1 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 39 42 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 2 47 1 49 -1 M END