NCI:657780 BBtclserve11129920072D 0 0.00000 0.00000229670 999-99-9 41 45 0 0 0 0 0 0 0 0 2 V2000 19.6165 2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6655 2.5411 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.0777 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6655 0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6165 1.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5676 2.5411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.1554 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5676 0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9745 3.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0777 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5777 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5777 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0777 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5777 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5777 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5777 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5777 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0777 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0777 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5777 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -2.5411 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0777 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -1.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.5411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7989 -3.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5777 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5777 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0777 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5777 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8564 3.1289 0.0000 Br 0 5 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 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 23 32 1 0 0 0 0 32 33 2 0 0 0 0 29 34 2 0 0 0 0 35 36 1 0 0 0 0 29 37 1 0 0 0 0 19 38 1 0 0 0 0 38 39 2 0 0 0 0 25 40 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 24 25 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 27 40 2 0 0 0 0 M CHG 3 2 1 22 1 41 -1 M END