NCI:177829 BBtclserve11129918112D 0 0.00000 0.00000130472 999-99-9 25 29 0 0 0 0 0 0 0 0 2 V2000 4.0494 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 0.8833 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7451 1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0817 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 3.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1499 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 2.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 2.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0148 -1.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 2.4376 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.0477 1.4010 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.0303 -2.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 -1.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8239 -1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6026 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -2.8898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 -2.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -2.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 -3.0351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2515 -3.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 3 0 0 0 0 5 14 3 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 15 20 3 0 0 0 0 16 21 3 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 22 24 3 0 0 0 0 23 25 3 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 8 9 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 12 17 1 0 0 0 0 M CHG 2 13 1 14 1 M END $$$$