Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : SIM    

Bonds between two atoms of the molecule

Total Number of Bonds: 72


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 O1A C1 O C doub 1.21 N N
2 O1B C1 O C sing 1.34 N N
3 O1B H1B O H sing 0.97 N N
4 O3 C3 O C sing 1.43 N N
5 O3 HO3 O H sing 0.97 N N
6 O5 C5 O C sing 1.43 N N
7 O5 HO5 O H sing 0.97 N N
8 O14 C14 O C sing 1.45 N N
9 O14 C18 O C sing 1.34 N N
10 O18 C18 O C doub 1.21 N N
11 C1 C2 C C sing 1.51 N N
12 C2 C3 C C sing 1.53 N N
13 C2 H21 C H sing 1.09 N N
14 C2 H22 C H sing 1.09 N N
15 C3 C4 C C sing 1.53 N N
16 C3 H3 C H sing 1.09 N N
17 C4 C5 C C sing 1.53 N N
18 C4 H41 C H sing 1.09 N N
19 C4 H42 C H sing 1.09 N N
20 C5 C6 C C sing 1.53 N N
21 C5 H5 C H sing 1.09 N N
22 C6 C7 C C sing 1.53 N N
23 C6 H61 C H sing 1.09 N N
24 C6 H62 C H sing 1.09 N N
25 C7 C8 C C sing 1.53 N N
26 C7 H71 C H sing 1.09 N N
27 C7 H72 C H sing 1.09 N N
28 C8 C9 C C sing 1.53 N N
29 C8 C13 C C sing 1.53 N N
30 C8 H8 C H sing 1.09 N N
31 C9 C10 C C sing 1.5 N N
32 C9 C9A C C sing 1.53 N N
33 C9 H9 C H sing 1.09 N N
34 C10 C11 C C doub 1.32 N N
35 C10 H10 C H sing 1.08 N N
36 C11 C12 C C sing 1.48 N N
37 C11 H11 C H sing 1.08 N N
38 C12 C17 C C doub 1.32 N N
39 C12 C13 C C sing 1.5 N N
40 C17 C16 C C sing 1.51 N N
41 C17 H17 C H sing 1.08 N N
42 C16 C15 C C sing 1.54 N N
43 C16 C24 C C sing 1.53 N N
44 C16 H16 C H sing 1.09 N N
45 C15 C14 C C sing 1.53 N N
46 C15 H151 C H sing 1.09 N N
47 C15 H152 C H sing 1.09 N N
48 C14 C13 C C sing 1.51 N N
49 C14 H14 C H sing 1.09 N N
50 C13 H13 C H sing 1.09 N N
51 C9A H9A1 C H sing 1.09 N N
52 C9A H9A2 C H sing 1.09 N N
53 C9A H9A3 C H sing 1.09 N N
54 C18 C19 C C sing 1.51 N N
55 C19 C20 C C sing 1.53 N N
56 C19 C22 C C sing 1.53 N N
57 C19 C23 C C sing 1.53 N N
58 C20 C21 C C sing 1.53 N N
59 C20 H201 C H sing 1.09 N N
60 C20 H202 C H sing 1.09 N N
61 C21 H211 C H sing 1.09 N N
62 C21 H212 C H sing 1.09 N N
63 C21 H213 C H sing 1.09 N N
64 C22 H221 C H sing 1.09 N N
65 C22 H222 C H sing 1.09 N N
66 C22 H223 C H sing 1.09 N N
67 C23 H231 C H sing 1.09 N N
68 C23 H232 C H sing 1.09 N N
69 C23 H233 C H sing 1.09 N N
70 C24 H241 C H sing 1.09 N N
71 C24 H242 C H sing 1.09 N N
72 C24 H243 C H sing 1.09 N N