NCI:523301 BBtclserve11129919312D 0 0.00000 0.00000202579 51948-56-2 18 19 0 0 0 0 0 0 0 0 2 V2000 2.3222 -0.3743 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.6343 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 -1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -2.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7633 -3.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.2524 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3511 -4.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 -3.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1478 0.0000 O 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 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 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 5 7 2 0 0 0 0 11 12 2 0 0 0 0 M CHG 2 14 1 18 -1 M END