NCI:609218 BBtclserve11129919352D 0 0.00000 0.00000207039 999-99-9 36 40 0 0 0 0 0 0 0 0 3 V2000 9.7711 2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7221 2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9301 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0279 1.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9455 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2326 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5854 2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2763 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2326 1.5388 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.0769 2.2351 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6942 -2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -1.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2326 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8799 -2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1889 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2326 -1.5388 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.3884 -2.2351 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7326 0.0000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 6.7326 -1.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9553 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.4653 2.9553 0.0000 Br 0 0 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 5 13 1 0 0 0 0 13 14 2 0 0 0 0 9 15 1 0 0 0 0 6 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 23 28 2 0 0 0 0 21 29 1 0 0 0 0 29 30 2 0 0 0 0 25 31 1 0 0 0 0 22 32 1 0 0 0 0 8 33 1 0 0 0 0 18 35 1 0 0 0 0 2 36 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 21 22 2 0 0 0 0 27 28 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 14 33 1 0 0 0 0 24 33 1 0 0 0 0 M CHG 8 8 1 14 1 15 -1 16 -1 24 1 30 1 31 -1 32 -1 M CHG 2 33 3 34 -1 M END