NCI:120056 BBtclserve11129917332D 0 0.00000 0.00000 91398 12215-33-7 25 29 0 0 0 0 0 0 0 0 2 V2000 3.6730 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -2.2429 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.9659 -0.8287 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 1.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3801 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 2.2429 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.3801 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2462 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3801 0.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8801 1.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2462 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2462 -1.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 1.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7462 1.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6122 -1.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1122 -0.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1122 0.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6122 1.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 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 4 11 3 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 7 8 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 18 21 1 0 0 0 0 M CHG 2 2 1 11 1 M END $$$$