NCI:111702 BBtclserve11129917302D 0 0.00000 0.00000 85520 51112-62-0 21 23 0 0 0 0 0 0 0 0 1 V2000 6.6394 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 0.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -0.5152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 1.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 3.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -2.1332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 2.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 3.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 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 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 19 21 1 0 0 0 0 7 10 1 0 0 0 0 12 14 1 0 0 0 0 17 20 1 0 0 0 0 M END