NCI:118531 BBtclserve11129917332D 0 0.00000 0.00000 90282 35006-34-9 36 38 0 0 0 0 0 0 0 0 2 V2000 4.4487 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 -0.8681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1723 -1.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -3.1845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 -2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 5.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 5.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 -4.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -4.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 6.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 7.6264 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8270 -6.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 8.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3148 8.1264 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7780 -6.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 -7.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 -6.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3622 -8.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 -7.8174 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 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 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 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 10 11 1 0 0 0 0 23 26 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 2 28 1 31 -1 M END