NCI:657717 BBtclserve11129920072D 0 0.00000 0.00000229608 999-99-9 29 31 0 0 0 0 0 0 0 0 2 V2000 3.5000 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.9772 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5000 -4.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.9772 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -0.0131 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4899 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7989 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4388 2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4169 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0861 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7771 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7259 4.1001 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7041 4.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0568 4.8433 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5388 0.9869 0.0000 Br 0 5 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 1 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 13 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 20 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 5 6 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 6 7 1 9 -1 13 1 26 1 28 -1 29 -1 M END