NCI:668603 BBtclserve11129920122D 0 0.00000 0.00000234784 999-99-9 33 36 0 0 0 0 0 0 0 0 2 V2000 2.0000 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 0.8209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 3.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 4.5490 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2574 4.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 5.2921 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1324 -5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1269 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5337 -4.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9459 -3.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9514 -3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -4.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1538 -2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2878 -1.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -2.6560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0673 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1719 -1.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0854 -0.6789 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.1899 0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8944 -1.2666 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9921 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 9 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 23 33 1 0 0 0 0 5 6 1 0 0 0 0 8 9 1 0 0 0 0 19 20 2 0 0 0 0 22 23 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 4 12 1 14 -1 26 1 28 -1 M END