NCI:657782 BBtclserve11129920072D 0 0.00000 0.00000229672 999-99-9 44 48 0 0 0 0 0 0 0 0 2 V2000 3.5388 4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 4.7257 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0777 3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 3.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 3.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.7257 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 5.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 4.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 4.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 3.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 3.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5777 3.0507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5777 3.0507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2801 -4.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0722 -3.1160 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.0777 -3.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6710 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4141 -4.5941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0233 -4.7632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.6166 -5.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7414 -2.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0777 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5777 -2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5777 -2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0777 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5777 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5777 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5777 1.3187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5777 1.3187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0777 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6220 -5.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0777 2.1847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0777 2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5777 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0777 0.4527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 5.3135 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 21.0233 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.0777 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0777 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 2 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 10 15 1 0 0 0 0 16 17 1 0 0 0 0 10 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 20 26 1 0 0 0 0 27 28 2 0 0 0 0 21 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 27 32 1 0 0 0 0 32 35 1 0 0 0 0 23 36 1 0 0 0 0 17 38 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 34 43 1 0 0 0 0 39 44 1 0 0 0 0 4 5 1 0 0 0 0 7 8 2 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 16 18 2 0 0 0 0 22 23 1 0 0 0 0 28 29 1 0 0 0 0 31 32 2 0 0 0 0 25 36 2 0 0 0 0 34 38 2 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 35 40 2 0 0 0 0 43 44 2 0 0 0 0 M CHG 3 2 1 20 1 41 -1 M END