NCI:116625 BBtclserve11129917322D 0 0.00000 0.00000 88813 999-99-9 43 46 0 0 0 0 0 0 0 0 2 V2000 8.7768 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 1.0846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 1.1357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 1.0846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2969 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8048 -0.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 3.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9911 1.1357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8048 -2.5032 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5369 -2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.5251 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4863 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7343 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8048 -3.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9388 -2.0032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 3.5032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.6854 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4285 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8933 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2206 3.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3796 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8443 0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1227 2.5250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.5875 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0738 2.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9148 3.5032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 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 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 2 0 0 0 0 22 27 1 0 0 0 0 22 28 2 0 0 0 0 24 29 2 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 38 40 1 0 0 0 0 38 41 2 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 8 10 1 0 0 0 0 20 26 1 0 0 0 0 23 28 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 6 25 1 27 1 31 -1 33 -1 40 1 43 -1 M END