Mol:
0 0 0
9.1411 -4.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1506 -3.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4286 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8065 -3.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8065 -1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 -1.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -3.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7876 -5.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6126 -4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0
2 3 1 0 0 0
2 26 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
4 15 1 0 0 0
4 25 1 0 0 0
5 6 2 0 0 0
6 7 1 0 0 0
7 8 1 0 0 0
7 11 2 0 0 0
8 9 1 0 0 0
8 10 1 0 0 0
11 12 1 0 0 0
11 13 1 0 0 0
15 23 1 0 0 0
16 17 1 0 0 0
16 20 2 0 0 0
17 18 1 0 0 0
17 19 1 0 0 0
20 21 1 0 0 0
20 22 1 0 0 0
22 23 2 0 0 0
23 24 1 0 0 0
25 26 2 0 0 0
25 30 1 0 0 0
26 27 1 0 0 0
27 28 2 0 0 0
28 29 1 0 0 0
29 30 2 0 0 0
13 31 2 0 0 0
31 14 1 0 0 0
5 31 1 0 0 0
32 16 1 0 0 0
15 32 2 0 0 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。