NCI:633272 BBtclserve11129919492D 0 0.00000 0.00000218035 999-99-9 22 26 0 0 0 0 0 0 0 0 2 V2000 2.3090 3.9829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 2.4966 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9563 3.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 4.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 3.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 2.4967 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5441 4.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 1.9089 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.7653 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7653 0.9578 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.3531 0.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4286 -2.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0441 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1433 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7311 -1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8654 -4.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -4.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 1.9089 0.0000 Fe 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 12 22 1 0 0 0 0 8 22 1 0 0 0 0 M CHG 5 4 1 8 1 10 -1 12 1 22 1 M END