Mol:
0 0 0 0 0 0 0 0 0 0 0 0
1.7504 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1984 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4533 1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2603 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8123 1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8123 -0.8339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
1 5 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 2 2 0
6 3 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 4 2 0
10 5 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
14 19 2 0
10 14 1 0
8 20 1 0
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。