NCI:75439 BBtclserve11129917142D 0 0.00000 0.00000 60610 54828-10-3 17 18 0 0 0 0 0 0 0 0 2 V2000 4.5032 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.7594 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0032 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 0.7812 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6372 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 13 17 1 0 0 0 0 11 12 1 0 0 0 0 14 17 1 0 0 0 0 M CHG 2 10 1 16 -1 M END