NCI:638298 BBtclserve11129919562D 0 0.00000 0.00000221000 999-99-9 29 32 0 0 0 0 0 0 0 0 2 V2000 3.8685 -0.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 1.3674 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6691 1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 -1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 -0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 -0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9854 -1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0184 -0.0475 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4434 0.3823 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.2933 -2.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 -0.8376 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.4647 -0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -1.0611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 0.5007 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.4563 0.7796 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 7.1973 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 -3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 1.3674 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2435 1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9126 1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 2.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6254 3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 7 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 8 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 11 22 1 0 0 0 0 16 23 1 0 0 0 0 7 24 1 0 0 0 0 21 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 24 29 2 0 0 0 0 6 7 1 0 0 0 0 12 13 2 0 0 0 0 2 21 1 0 0 0 0 20 21 1 0 0 0 0 14 21 1 0 0 0 0 14 22 2 0 0 0 0 24 25 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 7 2 1 14 1 15 1 17 -1 20 1 21 2 25 1 M END