NCI:631131 BBtclserve11129919462D 0 0.00000 0.00000216862 999-99-9 22 24 0 0 0 0 0 0 0 0 2 V2000 4.5981 1.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 1.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 -0.5847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0029 0.2244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0962 -1.5552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8394 -2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 -1.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4975 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1666 -0.0030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.1447 -0.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8576 0.9480 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1181 -1.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2243 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2243 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 11 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 12 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 5 6 1 0 0 0 0 8 9 1 0 0 0 0 14 15 1 0 0 0 0 M CHG 4 16 1 18 -1 20 1 22 -1 M END