Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : 1IN    

Bonds between two atoms of the molecule

Total Number of Bonds: 99


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 N1 C N sing 1.47 N N
3 C1 H11A C H sing 1.09 N N
4 C1 H12 C H sing 1.09 N N
5 C2 C3 C C sing 1.51 N N
6 C2 N3 C N sing 1.47 N N
7 C2 H2 C H sing 1.09 N N
8 C3 O1 C O doub 1.21 N N
9 C3 N2 C N sing 1.35 N N
10 O4 C23 O C sing 1.43 N N
11 O4 HO4 O H sing 0.97 N N
12 O5 C31 O C doub 1.21 N N
13 C7 C4 C C sing 1.53 N N
14 C7 H71 C H sing 1.09 N N
15 C7 H72 C H sing 1.09 N N
16 C7 H73 C H sing 1.09 N N
17 C8 C9 C C sing 1.53 N N
18 C8 N3 C N sing 1.47 N N
19 C8 H81 C H sing 1.09 N N
20 C8 H82 C H sing 1.09 N N
21 C9 N1 C N sing 1.47 N N
22 C9 H91 C H sing 1.09 N N
23 C9 H92 C H sing 1.09 N N
24 C10 C11 C C sing 1.53 N N
25 C10 N3 C N sing 1.47 N N
26 C10 H101 C H sing 1.09 N N
27 C10 H102 C H sing 1.09 N N
28 C11 C12 C C sing 1.53 N N
29 C11 O2 C O sing 1.43 N N
30 C11 H11 C H sing 1.09 N N
31 C12 C13 C C sing 1.53 N N
32 C12 H121 C H sing 1.09 N N
33 C12 H122 C H sing 1.09 N N
34 C13 C14 C C sing 1.53 N N
35 C13 C21 C C sing 1.51 N N
36 C13 H13 C H sing 1.09 N N
37 C14 C15 C C sing 1.51 N N
38 C14 H141 C H sing 1.09 N N
39 C14 H142 C H sing 1.09 N N
40 C15 C16 C C doub 1.38 N Y
41 C15 C20 C C sing 1.38 N Y
42 C16 C17 C C sing 1.38 N Y
43 C16 H16 C H sing 1.08 N N
44 C19 C20 C C doub 1.38 N Y
45 C19 C18 C C sing 1.38 N Y
46 C19 H19 C H sing 1.08 N N
47 C20 H20 C H sing 1.08 N N
48 C21 O3 C O doub 1.21 N N
49 C21 N4 C N sing 1.35 N N
50 C22 C30 C C sing 1.54 N N
51 C22 N4 C N sing 1.46 N N
52 C22 C23 C C sing 1.55 N N
53 C22 H22 C H sing 1.09 N N
54 C24 C23 C C sing 1.55 N N
55 C24 C25 C C sing 1.54 N N
56 C24 H241 C H sing 1.09 N N
57 C24 H242 C H sing 1.09 N N
58 C27 C26 C C sing 1.53 N N
59 C27 C28 C C sing 1.51 N N
60 C27 H271 C H sing 1.09 N N
61 C27 H272 C H sing 1.09 N N
62 C30 C25 C C sing 1.54 N N
63 C30 C29 C C sing 1.53 N N
64 C30 H30 C H sing 1.09 N N
65 C31 N1 C N sing 1.35 N N
66 C31 C26 C C sing 1.51 N N
67 C32 C33 C C doub 1.39 N Y
68 C32 C28 C C sing 1.39 N Y
69 C32 H32 C H sing 1.08 N N
70 C33 C34 C C sing 1.38 N Y
71 C33 H33 C H sing 1.08 N N
72 C34 N5 C N doub 1.32 N Y
73 C34 H34 C H sing 1.08 N N
74 C35 C28 C C doub 1.38 N Y
75 C35 N5 C N sing 1.32 N Y
76 C35 H35 C H sing 1.08 N N
77 N2 C4 N C sing 1.46 N N
78 N2 HN2 N H sing 0.97 N N
79 C4 C5 C C sing 1.53 N N
80 C4 C6 C C sing 1.53 N N
81 C5 H51 C H sing 1.09 N N
82 C5 H52 C H sing 1.09 N N
83 C5 H53 C H sing 1.09 N N
84 C6 H61 C H sing 1.09 N N
85 C6 H62 C H sing 1.09 N N
86 C6 H63 C H sing 1.09 N N
87 O2 HO2 O H sing 0.97 N N
88 C17 C18 C C doub 1.38 N Y
89 C17 H17 C H sing 1.08 N N
90 C18 H18 C H sing 1.08 N N
91 N4 HN4 N H sing 0.97 N N
92 C23 H23 C H sing 1.09 N N
93 C25 H251 C H sing 1.09 N N
94 C25 H252 C H sing 1.09 N N
95 C29 H291 C H sing 1.09 N N
96 C29 H292 C H sing 1.09 N N
97 C29 H293 C H sing 1.09 N N
98 C26 H261 C H sing 1.09 N N
99 C26 H262 C H sing 1.09 N N