NCI:403138 BBtclserve11129919232D 0 0.00000 0.00000193593 7404-87-7 38 39 0 0 0 0 0 0 0 0 2 V2000 6.6962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0622 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1340 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0622 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6961 -4.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -4.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 2.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 3.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 4.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 4.8660 0.0000 O 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 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 27 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 2 0 0 0 0 34 37 1 0 0 0 0 34 38 2 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