NCI:37336 BBtclserve11129916562D 0 0.00000 0.00000 32585 6331-84-6 31 33 0 0 0 0 0 0 0 0 2 V2000 8.9213 1.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 1.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9508 0.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 2.9283 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5194 1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4726 1.0919 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5194 3.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 3.4283 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.5194 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -0.6877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 -0.0717 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5713 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 0.4283 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1646 -1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -2.5148 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1701 -1.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 -3.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -2.4102 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5823 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.1058 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -2.0193 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 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 11 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 11 12 1 0 0 0 0 10 15 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 8 8 1 14 -1 17 1 20 -1 23 1 27 -1 29 1 31 -1 M END