NCI:12994 BBtclserve11129916452D 0 0.00000 0.00000 12623 5442-45-5 22 22 0 0 0 0 0 0 0 0 2 V2000 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7321 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7500 0.0000 O 0 5 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 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 2 18 1 22 -1 M END