[ molecule ]
CHOL
[ martini ]
ROH R1 R2 R3 R4 R5 C1 C2
[ mapping ]
opls
[ atoms ]
1 C1 R1
2 H1 R1
3 H2 R1
4 C2 ROH
5 H3 ROH
6 H4 ROH
7 C3 ROH ROH ROH R1
8 H5 ROH
9 O1 ROH
10 H6 ROH
11 C4 ROH ROH ROH R2
12 H7 ROH ROH ROH R2
13 H8 ROH ROH ROH R2
14 C5 R1 ROH ROH R2 R2
15 C6 R2 R2 R2 R2 ROH
16 H9 R2 R2 R2 R2 ROH
17 C7 R2
18 H10 R2
19 H11 R2
20 C8 R2 R2 R3 R4
21 H12 R2 R2 R3 R4
22 C9 R3 R3 R3 R2 ROH
23 H13 R3 R3 R3 R2 ROH
24 C10 R1 R1
25 C11 R3
26 H14 R3
27 H15 R3
28 C12 R3 R3 R3 C1
29 H16 R3 R3 R3 C1
30 H17 R3 R3 R3 C1
31 C13 R5
32 C14 R4 R4 R3
33 H18 R4
34 C15 R4
35 H19 R4
36 H20 R4
37 C16 R4 R4 C1
38 H21 R4 R4 C1
39 H22 R4 R4 C1
40 C17 R5 R4 C1 C1
41 H23 R5 R3 R4 C1 C1
42 C18 R5
43 H24 R5
44 H25 R5
45 H26 R5
46 C19 R1
47 H27 R1
48 H28 R1
49 H29 R1
50 C20 C1 C1 C1 R4
51 H30 C1
52 C21 C1
53 H31 C1
54 H32 C1
55 H33 C1
56 C22 C1
57 H34 C1
58 H35 C1
59 C23 C1 C1 C1 C2
60 H36 C1 C1 C1 C2
61 H37 C1 C1 C1 C2
62 C24 C2 C1
63 H38 C2 C1
64 H39 C2 C1
65 C25 C2 C2 C2 C1
66 H40 C2 C2 C2 C1
67 C26 C2
68 H41 C2
69 H42 C2
70 H43 C2
71 C27 C2
72 H44 C2
73 H45 C2
74 H46 C2
[chiral]
H12 C8 C7 C14 C9
H18 C14 C15 C8 C13
H13 C9 C10 C11 C8
H23 C17 C16 C13 C20
[out]
H30 C20 C22 C17
[chiral]
C21 C20 C17 H30 C22
H31 C20 C17 H30 C22
H32 C20 C17 H30 C22
H33 C20 C17 H30 C22
[chiral]
C18 C13 C12 C14 C17
H24 C13 C12 C14 C17
H25 C13 C12 C14 C17
H26 C13 C12 C14 C17
[out]
C2 C3 O1 C4
H3 C3 O1 C4
H4 C3 O1 C4
[trans]
C1 C2 C3 O1
H1 C2 C3 O1
H2 C2 C3 O1
[chiral]
C19 C10 C1 C5 C9
H27 C10 C1 C5 C9
H28 C10 C1 C5 C9
H29 C10 C1 C5 C9
[chiral]
H5 C3 C4 O1 C2