NCI:116835 BBtclserve11129917322D 0 0.00000 0.00000 89011 999-99-9 45 47 0 0 0 0 0 0 0 0 2 V2000 6.9335 -2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 -2.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 -3.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 -2.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -1.4446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 -0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0367 -0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 -2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -2.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -3.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -1.2355 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1756 -2.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -0.4265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5823 -3.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.6807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8457 3.0942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -5.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5761 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8457 4.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 4.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9797 4.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 4.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 4.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 3.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 5.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 4.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1758 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1758 -0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0418 3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1758 1.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1758 -1.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0418 0.0942 0.0000 O 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 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 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 2 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 35 38 1 0 0 0 0 35 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 2 0 0 0 0 41 44 1 0 0 0 0 41 45 2 0 0 0 0 8 10 1 0 0 0 0 16 20 1 0 0 0 0 26 31 1 0 0 0 0 M CHG 4 14 1 19 -1 23 1 28 -1 M END