NCI:525332 BBtclserve11129919312D 0 0.00000 0.00000203184 1728-61-6 24 25 0 0 0 0 0 0 0 0 2 V2000 6.3302 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 3.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 4.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 4.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 5.2172 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 6.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 5.1126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 M CHG 2 13 1 16 -1 M END