Mol:
0 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4739 3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.1142 1.5700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.7546 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3949 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3949 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.0352 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.6756 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 1.5700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5966 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2369 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 1.5700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 C 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 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
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 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。