NCI:659446 BBtclserve11129920082D 0 0.00000 0.00000230752 999-99-9 30 32 0 0 0 0 0 0 0 0 2 V2000 4.5000 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.3792 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 3.0000 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.8433 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 6.0000 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2787 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 -0.0131 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5388 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 -1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 -1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0861 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7989 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7259 4.1001 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7041 4.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0568 4.8433 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5388 0.9869 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 9.0777 -0.5131 0.0000 C 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 15 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 19 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 18 30 1 0 0 0 0 5 6 1 0 0 0 0 16 17 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 19 30 2 0 0 0 0 M CHG 4 15 1 26 1 28 -1 29 -1 M END