-
Notifications
You must be signed in to change notification settings - Fork 1
/
JP10B.mol
58 lines (57 loc) · 2.48 KB
/
JP10B.mol
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
Tricyclo[5.2.1.02,6]decane, ID: C2825823
Created by GaussView 3.09
26 28 0 0 0 0 0 0 0 0 0 0
2.1408 0.7824 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 -0.7824 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 1.1350 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 -1.1350 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 -0.7896 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8990 0.0000 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 0.7896 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 -1.2085 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 1.2085 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6505 0.0000 -0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0451 1.1747 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0920 1.2042 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0920 -1.2042 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0451 -1.1747 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 2.1544 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 -2.1544 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 -1.1880 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8000 0.0000 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 0.0000 2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 1.1880 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 -2.1316 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 -1.3877 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 1.3877 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 2.1316 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9947 0.0000 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5403 0.0000 0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 4 1 0 0 0 0
2 13 1 0 0 0 0
2 14 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 15 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 16 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 17 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
8 10 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0