Mol:
0 0 0 0 0 0 0 0 0 0
4.0799 5.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0793 2.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4402 1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8010 2.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1608 1.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5037 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 2.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 3.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7198 4.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
10 9 1 6 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
12 18 1 1 0 0 0
15 19 1 6 0 0 0
15 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 13 1 0 0 0 0
21 25 1 0 0 0 0
25 26 1 1 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 20 1 0 0 0 0
29 30 2 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
31 34 1 0 0 0 0
34 35 1 1 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
37 25 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。