Mol:
0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2631 -1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7068 2.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8420 -0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4209 -0.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1902 -2.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5951 -1.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 2.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7068 1.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
2 5 1 0
3 6 1 0
4 7 1 0
5 8 2 0
5 9 1 0
6 10 2 0
6 11 1 0
7 12 2 0
7 13 1 0
8 14 1 0
10 15 1 0
12 16 1 0
14 17 1 0
14 18 2 0
15 19 1 0
15 20 2 0
16 21 1 0
16 22 2 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。