NCI:617567 BBtclserve11129919372D 0 0.00000 0.00000209733 999-99-9 35 39 0 0 0 0 0 0 0 0 3 V2000 2.3090 3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 2.1267 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8383 1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1473 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4074 1.8479 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9563 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 2.1267 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5441 3.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 1.5389 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 5.9951 1.0389 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.4074 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 0.5389 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.0743 1.5389 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.7653 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7653 0.5879 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.7145 -1.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -2.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -3.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 -3.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2584 -3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3476 -0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9354 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5287 -1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 -1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 0.9511 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.0185 -1.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 0.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 2.7145 0.0000 Cl 0 5 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 1 0 0 0 0 7 9 2 0 0 0 0 3 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 4 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 20 25 2 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 26 31 2 0 0 0 0 21 33 1 0 0 0 0 27 34 1 0 0 0 0 5 6 1 0 0 0 0 9 13 1 0 0 0 0 11 13 1 0 0 0 0 15 16 2 0 0 0 0 18 19 2 0 0 0 0 24 25 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 8 4 1 9 1 11 1 13 2 14 -1 16 1 17 -1 19 1 M CHG 2 32 -1 35 -1 M END