NCI:311727 BBtclserve11129918592D 0 0.00000 0.00000171186 75464-90-3 15 16 0 0 0 0 0 0 0 0 2 V2000 2.8660 0.6488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 0.7420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 2.1433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3093 1.3807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 2.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 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 7 11 2 0 0 0 0 8 12 1 0 0 0 0 10 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 8 9 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 12 1 15 -1 M END