Mol:
3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0323 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1716 3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6352 5.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1305 5.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9542 6.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9284 7.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5276 7.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7507 8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
7 8 1 0
6 9 2 0
9 10 1 0
10 11 1 0
5 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
13 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 1 0
24 25 1 0
24 26 1 0
26 27 1 0
26 28 1 0
1 29 1 0
9 2 1 0
28 4 1 0
22 12 1 0
16 20 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。