NCI:170131 BBtclserve11129918042D 0 0.00000 0.00000125573 6160-93-6 25 25 0 0 0 0 0 0 0 0 2 V2000 5.4641 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1961 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1830 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.1961 -2.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1830 0.0000 N 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 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 2 0 0 0 0 12 15 1 0 0 0 0 M CHG 4 16 1 22 -1 24 1 25 -1 M END