NCI:179388 BBtclserve11129918112D 0 0.00000 0.00000130890 5231-85-6 25 27 0 0 0 0 0 0 0 0 2 V2000 4.0908 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4209 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4209 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4209 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 -2.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2869 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1529 -1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 2 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 7 11 1 0 0 0 0 13 16 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 4 17 1 21 -1 23 1 25 -1 M END