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
|
0 ? 1 2 3 5 6
unmatched
matched
matched
unmatched
matched
unmatched
matched
unmatched
unmatched
unmatched
matched
matched
0 ? 1 2 3 5 6
matched
matched
unmatched
unmatched
matched
matched
unmatched
matched
matched
unmatched
matched
matched
unmatched
matched
unmatched
mol 0
atom 0 -> 2
atom 1 -> 1
atom 2 -> 0
atom 3 -> ?
mol 1
atom 0 -> ?
atom 1 -> ?
atom 2 -> ?
mol 2
atom 0 -> 2
atom 1 -> 1
atom 2 -> 0
OCC>CC>CCO |ha:0,1,2,5,6,7,hb:0,1,3,4|
unmatched
matched
matched
unmatched
unmatched
matched
matched
matched
unmatched
matched
unmatched
|
