NCI:115808 BBtclserve11129917312D 0 0.00000 0.00000 88171 21631-65-2 29 31 0 0 0 0 0 0 0 0 2 V2000 2.7431 0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 1.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.5942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 1.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 0.9446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -0.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1733 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -4.5942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7666 3.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -5.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -5.0942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3544 4.1807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3489 4.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 5.0942 0.0000 O 0 5 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 8 11 1 0 0 0 0 17 20 1 0 0 0 0 22 24 1 0 0 0 0 M CHG 4 23 1 26 -1 27 1 29 -1 M END