NCI:95776 BBtclserve11129917222D 0 0.00000 0.00000 75012 999-99-9 29 31 0 0 0 0 0 0 0 0 2 V2000 4.5981 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0180 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 -0.1384 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0180 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 -0.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 0.8467 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9641 4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9821 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 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 15 22 2 0 0 0 0 19 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 14 19 1 0 0 0 0 16 22 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 4 11 1 13 1 18 -1 21 -1 M END