NCI:116718 BBtclserve11129917322D 0 0.00000 0.00000 88904 89415-63-4 28 27 0 0 0 0 0 0 0 0 3 V2000 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2321 0.6160 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2321 -1.1160 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 1.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 0.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2942 -0.6160 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2942 1.1160 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2942 -0.6160 0.0000 O 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 1 4 1 0 0 0 0 1 5 1 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 4 9 2 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 M CHG 8 3 1 4 1 8 -1 10 -1 12 1 15 -1 18 1 21 -1 M CHG 4 22 1 23 1 26 -1 28 -1 M END