NCI:403128 BBtclserve11129919232D 0 0.00000 0.00000193583 7404-80-0 28 29 0 0 0 0 0 0 0 0 2 V2000 5.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6340 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6340 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3660 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -3.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.8660 0.0000 C 0 0 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 2 0 0 0 0 22 28 1 0 0 0 0 14 20 1 0 0 0 0 18 22 1 0 0 0 0 M CHG 4 5 1 8 1 12 -1 16 -1 M END