Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : IBI    

Bonds between two atoms of the molecule

Total Number of Bonds: 100


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 C2 C C sing 1.53 N N
2 C1 N3 C N sing 1.47 N N
3 C2 N4 C N sing 1.47 N N
4 C5 C6 C C sing 1.53 N N
5 C5 N3 C N sing 1.47 N N
6 C6 N4 C N sing 1.47 N N
7 C7 C8 C C sing 1.53 N N
8 C7 C9 C C sing 1.53 N N
9 C8 C10 C C sing 1.53 N N
10 C11 C12 C C sing 1.53 N N
11 C11 C9 C C sing 1.53 N N
12 C12 C10 C C sing 1.53 N N
13 C15 C17 C C doub 1.4 N Y
14 C15 C13 C C sing 1.38 N Y
15 C16 C18 C C doub 1.38 N Y
16 C16 O37 C O sing 1.36 N N
17 C16 C14 C C sing 1.4 N Y
18 C17 C18 C C sing 1.4 N Y
19 C17 C39 C C sing 1.48 N N
20 C21 C31 C C sing 1.53 N N
21 C21 N23 C N sing 1.47 N N
22 C21 C20 C C sing 1.51 N N
23 N22 C24 N C sing 1.4 N N
24 N22 C36 N C sing 1.47 N N
25 N22 C20 N C sing 1.35 N N
26 C24 C25 C C doub 1.4 N Y
27 C24 C29 C C sing 1.38 N Y
28 C31 C32 C C sing 1.53 N N
29 C33 C34 C C sing 1.53 N N
30 C33 C35 C C sing 1.53 N N
31 C33 N23 C N sing 1.47 N N
32 C38 O37 C O sing 1.43 N N
33 C39 O40 C O doub 1.22 N N
34 C39 N41 C N sing 1.35 N N
35 C14 N19 C N sing 1.39 N N
36 C14 C13 C C doub 1.39 N Y
37 N19 C26 N C sing 1.39 N N
38 C26 N27 C N doub 1.33 N Y
39 C26 N28 C N sing 1.32 N Y
40 N27 C25 N C sing 1.33 N Y
41 C25 N23 C N sing 1.38 N N
42 N28 C29 N C doub 1.33 N Y
43 C20 O30 C O doub 1.21 N N
44 N41 C9 N C sing 1.47 N N
45 C10 N3 C N sing 1.47 N N
46 N4 C42 N C sing 1.47 N N
47 C42 C43 C C sing 1.53 N N
48 C43 C45 C C sing 1.53 N N
49 C43 C44 C C sing 1.53 N N
50 C45 C44 C C sing 1.53 N N
51 C1 H1 C H sing 1.09 N N
52 C1 H1A C H sing 1.09 N N
53 C2 H2 C H sing 1.09 N N
54 C2 H2A C H sing 1.09 N N
55 C5 H5 C H sing 1.09 N N
56 C5 H5A C H sing 1.09 N N
57 C6 H6 C H sing 1.09 N N
58 C6 H6A C H sing 1.09 N N
59 C7 H7 C H sing 1.09 N N
60 C7 H7A C H sing 1.09 N N
61 C8 H8 C H sing 1.09 N N
62 C8 H8A C H sing 1.09 N N
63 C11 H11 C H sing 1.09 N N
64 C11 H11A C H sing 1.09 N N
65 C12 H12 C H sing 1.09 N N
66 C12 H12A C H sing 1.09 N N
67 C15 H15 C H sing 1.08 N N
68 C18 H18 C H sing 1.08 N N
69 C21 H21 C H sing 1.09 N N
70 C31 H31 C H sing 1.09 N N
71 C31 H31A C H sing 1.09 N N
72 C32 H32 C H sing 1.09 N N
73 C32 H32A C H sing 1.09 N N
74 C32 H32B C H sing 1.09 N N
75 C33 H33 C H sing 1.09 N N
76 C34 H34 C H sing 1.09 N N
77 C34 H34A C H sing 1.09 N N
78 C34 H34B C H sing 1.09 N N
79 C35 H35 C H sing 1.09 N N
80 C35 H35A C H sing 1.09 N N
81 C35 H35B C H sing 1.09 N N
82 C36 H36 C H sing 1.09 N N
83 C36 H36A C H sing 1.09 N N
84 C36 H36B C H sing 1.09 N N
85 C38 H38 C H sing 1.09 N N
86 C38 H38A C H sing 1.09 N N
87 C38 H38B C H sing 1.09 N N
88 N19 HN19 N H sing 0.97 N N
89 C29 H29 C H sing 1.08 N N
90 C13 H13 C H sing 1.08 N N
91 N41 HN41 N H sing 0.97 N N
92 C9 H9 C H sing 1.09 N N
93 C10 H10 C H sing 1.09 N N
94 C42 H42 C H sing 1.09 N N
95 C42 H42A C H sing 1.09 N N
96 C43 H43 C H sing 1.09 N N
97 C45 H45 C H sing 1.09 N N
98 C45 H45A C H sing 1.09 N N
99 C44 H44 C H sing 1.09 N N
100 C44 H44A C H sing 1.09 N N