NCI:659452 BBtclserve11129920082D 0 0.00000 0.00000230758 999-99-9 27 29 0 0 0 0 0 0 0 0 2 V2000 5.5878 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -0.4461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -0.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -1.7552 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4388 2.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4169 2.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0861 1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7771 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7989 0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7259 3.6671 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7041 3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0568 4.4103 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5878 -1.7552 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4103 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7041 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 2 5 1 0 0 0 0 4 6 1 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 3 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 5 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 2 0 0 0 0 17 19 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 16 17 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 M CHG 2 13 1 15 -1 M END