NCI:177823 BBtclserve11129918112D 0 0.00000 0.00000130466 52928-83-3 27 31 0 0 0 0 0 0 0 0 2 V2000 3.8995 1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0559 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.7097 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 2.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 4.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 3.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 3.2640 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.8978 2.2273 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.0796 -1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 -1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 -1.8827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 0.8847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.8496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4588 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -2.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6153 -3.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -3.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5489 -4.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 3 0 0 0 0 6 15 3 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 3 0 0 0 0 16 20 1 0 0 0 0 17 21 3 0 0 0 0 18 22 3 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 9 10 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 2 14 1 15 1 M END $$$$