-
Notifications
You must be signed in to change notification settings - Fork 0
/
s0000009929.cIdx
47 lines (47 loc) · 1.08 KB
/
s0000009929.cIdx
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
s0000009929 8 8
4362.736772999938 67.04219899999998
4
4 0 1 20 2 5 ALLDB0000009095 ALLDB0000055239 ALLDB0000142322 ALLDB0000160953 ALLDB0000186912
5 0 1 20 2 5 1 ALLDB0000054755
5 0 1 20 2 16 1 ALLDB0000159623
3 0 1 20 1 ALLDB0000172974
21
0 2
[*]C([H])([H])[H] 6 1 1.3362791E-5 15.023475000000001 0.0
[*]C([H])=O 2 1 4.4542635E-6 29.002740000000003 0.0
1 2
[*]O[H] 7 1 1.6614844E-5 17.00274 0.0
[*]OC([H])([H])[H] 1 1 2.3735493E-6 31.01839 0.0
2 3
[*]C([H])([H])[H] 5 1 1.3375779E-5 15.023475000000001 0.0
[*]C([H])=O 2 1 5.3503118E-6 29.002740000000003 0.0
[*][H] 1 1 2.6751559E-6 1.007825 0.0
3 0
4 0
5 2
[H][*][H] 7 2 2.0327505E-5 2.01565 0.0
[H][*]O[H] 1 2 2.9039293E-6 18.010565 0.0
6 1
[*][H] 8 1 4.333624E-5 1.007825 0.0
7 1
[H][*][H] 8 2 4.3224085E-5 2.01565 0.0
8 0
9 1
[*][H] 8 1 4.2614847E-5 1.007825 0.0
10 1
[*][H] 8 1 4.5232497E-5 1.007825 0.0
11 0
12 0
13 1
[H][*][H] 8 2 3.9464274E-5 2.01565 0.0
14 0
15 0
17 0
16 2
[*][H] 7 1 5.507821E-5 1.007825 0.0
[*]O[H] 1 1 7.868316E-6 17.00274 0.0
19 0
18 0
20 2
[*]O[H] 7 1 4.5932964E-5 17.00274 0.0
[*]OC([H])([H])[H] 1 1 6.561852E-6 31.01839 0.0