Mol:
0 0 0 0 0 0 0 0 0 0
2.7033 11.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0630 11.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0630 13.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4227 14.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7033 14.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4227 11.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4227 9.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5356 8.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 8.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1745 7.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 2 0 0 0 0
7 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
14 18 2 0 0 0 0
18 19 1 0 0 0 0
19 11 2 0 0 0 0
10 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 2 0 0 0 0
27 28 1 0 0 0 0
28 20 2 0 0 0 0
21 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 10 1 0 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。