NCI:313917 BBtclserve11129919002D 0 0.00000 0.00000171603 72567-28-3 16 17 0 0 0 0 0 0 0 0 2 V2000 3.7321 0.6488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 0.7420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.1433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8512 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3512 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.3807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 2.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.4671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 11 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 8 9 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 4 6 1 10 -1 13 1 16 -1 M END