NCI:319652 BBtclserve11129919032D 0 0.00000 0.00000172873 999-99-9 27 28 0 0 0 0 0 0 0 0 1 V2000 3.3566 -3.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 -4.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -3.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 -4.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -1.4923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9444 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -1.4923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -6.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4012 -7.6110 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9444 1.6343 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 3.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 4.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 5.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 5.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 5.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 6.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 7.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 6.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 9 10 1 0 0 0 0 16 17 1 0 0 0 0 M END