Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : JJI    

Bonds between two atoms of the molecule

Total Number of Bonds: 68


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C01 C02 C C sing 1.51 N N
2 C01 C18 C C sing 1.53 N N
3 C01 N01 C N sing 1.48 N N
4 C02 N02 C N doub 1.29 N Y
5 C02 S01 C S sing 1.71 N Y
6 C03 C04 C C doub 1.35 N Y
7 C03 C05 C C sing 1.47 N N
8 C03 N02 C N sing 1.34 N Y
9 C04 S01 C S sing 1.71 N Y
10 C05 N03 C N sing 1.36 N N
11 C05 O01 C O doub 1.22 N N
12 C06 C07 C C sing 1.51 N N
13 C06 C16 C C sing 1.53 N N
14 C06 N03 C N sing 1.48 N N
15 C07 N04 C N doub 1.29 N Y
16 C07 S02 C S sing 1.71 N Y
17 C08 C09 C C doub 1.35 N Y
18 C08 C10 C C sing 1.47 N N
19 C08 N04 C N sing 1.34 N Y
20 C09 S02 C S sing 1.71 N Y
21 C10 N05 C N sing 1.36 N N
22 C10 O02 C O doub 1.22 N N
23 C11 C12 C C sing 1.51 N N
24 C11 C17 C C sing 1.53 N N
25 C11 N05 C N sing 1.48 N N
26 C12 N06 C N doub 1.29 N Y
27 C12 S03 C S sing 1.71 N Y
28 C13 C14 C C doub 1.35 N Y
29 C13 C15 C C sing 1.47 N N
30 C13 N06 C N sing 1.34 N Y
31 C14 S03 C S sing 1.71 N Y
32 C15 N01 C N sing 1.36 N N
33 C15 O03 C O doub 1.22 N N
34 C18 S04 C S sing 1.81 N N
35 S04 S S S sing 2.05 N N
36 S C1 S C sing 1.76 N N
37 C1 C2 C C doub 1.39 N Y
38 C1 C6 C C sing 1.39 N Y
39 C2 N2 C N sing 1.48 N N
40 C2 C3 C C sing 1.38 N Y
41 N2 O21 N O doub 1.22 N N
42 N2 O22 N O sing 1.22 N N
43 C3 C4 C C doub 1.38 N Y
44 C4 N4 C N sing 1.48 N N
45 C4 C5 C C sing 1.38 N Y
46 N4 O41 N O doub 1.22 N N
47 N4 O42 N O sing 1.22 N N
48 C5 C6 C C doub 1.38 N Y
49 C01 H5 C H sing 1.09 N N
50 C04 H19 C H sing 1.08 N N
51 C06 H6 C H sing 1.09 N N
52 C09 H7 C H sing 1.08 N N
53 C11 H8 C H sing 1.09 N N
54 C14 H9 C H sing 1.08 N N
55 C16 H10 C H sing 1.09 N N
56 C16 H11 C H sing 1.09 N N
57 C16 H12 C H sing 1.09 N N
58 C17 H1 C H sing 1.09 N N
59 C17 H2 C H sing 1.09 N N
60 C17 H3 C H sing 1.09 N N
61 C18 H13 C H sing 1.09 N N
62 C18 H14 C H sing 1.09 N N
63 N01 H15 N H sing 0.97 N N
64 N03 H16 N H sing 0.97 N N
65 N05 H17 N H sing 0.97 N N
66 C3 H21 C H sing 1.08 N N
67 C5 H22 C H sing 1.08 N N
68 C6 H23 C H sing 1.08 N N