NCI:105344 BBtclserve11129917272D 0 0.00000 0.00000 81300 94331-81-4 26 28 0 0 0 0 0 0 0 0 2 V2000 5.8581 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1453 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 -2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1235 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 1.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -3.2991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 -0.1062 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4325 1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7852 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7707 0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4836 -1.0573 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7633 2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 2.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4901 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.0723 3.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 2.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0505 3.4901 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 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 13 18 2 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 16 22 2 0 0 0 0 17 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 10 12 1 0 0 0 0 15 20 1 0 0 0 0 17 22 1 0 0 0 0 M CHG 2 13 1 19 -1 M END