Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : 4IR    

Bonds between two atoms of the molecule

Total Number of Bonds: 94


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 N1 C N sing 1.43 N N
2 C1 O1 C O doub 1.41 N N
3 C1 N2 C N sing 1.43 N N
4 N1 C2 N C sing 1.45 N N
5 N1 HN1 N H sing 1.0 N N
6 S1 C3 S C sing 1.76 N N
7 S1 C5 S C sing 1.78 N N
8 C2 C3 C C sing 1.51 N N
9 C2 C4 C C sing 1.53 N N
10 C2 H2 C H sing 1.1 N N
11 N2 C4 N C sing 1.45 N N
12 N2 HN2 N H sing 1.0 N N
13 O2 C10 O C doub 1.43 N N
14 S2 O3 S O doub 1.49 N N
15 S2 N4 S N sing 1.59 N N
16 S2 O4 S O doub 1.49 N N
17 S2 C16 S C sing 1.61 N N
18 C3 H3 C H sing 1.1 N N
19 C3 H3A C H sing 1.1 N N
20 N3 C10 N C sing 1.44 N N
21 N3 C11 N C sing 1.36 N N
22 N3 HN3 N H sing 1.0 N N
23 C4 C5 C C sing 1.53 N N
24 C4 H4 C H sing 1.1 N N
25 N4 C27 N C sing 1.48 N N
26 N4 HN4 N H sing 1.0 N N
27 C5 C6 C C sing 1.54 N N
28 C5 H5 C H sing 1.1 N N
29 N5 C28 N C sing 1.44 N N
30 N5 HN5 N H sing 1.0 N N
31 N5 HN5A N H sing 1.0 N N
32 C6 C7 C C sing 1.53 N N
33 C6 H6 C H sing 1.1 N N
34 C6 H6A C H sing 1.1 N N
35 C7 C8 C C sing 1.53 N N
36 C7 H7 C H sing 1.1 N N
37 C7 H7A C H sing 1.1 N N
38 C8 C9 C C sing 1.53 N N
39 C8 H8 C H sing 1.1 N N
40 C8 H8A C H sing 1.1 N N
41 C9 C10 C C sing 1.52 N N
42 C9 H9 C H sing 1.1 N N
43 C9 H9A C H sing 1.1 N N
44 C11 C12 C C doub 1.39 N Y
45 C11 C14 C C sing 1.4 N Y
46 C12 C13 C C sing 1.39 N Y
47 C12 H12 C H sing 1.08 N N
48 C13 C16 C C doub 1.39 N Y
49 C13 H13 C H sing 1.08 N N
50 C14 C15 C C doub 1.41 N Y
51 C14 H14 C H sing 1.08 N N
52 C15 C16 C C sing 1.41 N Y
53 C15 H15 C H sing 1.08 N N
54 C17 C18 C C sing 1.5 N N
55 C17 C21 C C doub 1.49 N N
56 C17 C22 C C sing 1.52 N N
57 C18 C19 C C sing 1.5 N N
58 C18 C23 C C sing 1.52 N N
59 C18 H18 C H sing 1.1 N N
60 C19 C20 C C sing 1.49 N N
61 C19 C24 C C sing 1.52 N N
62 C19 H19 C H sing 1.1 N N
63 C20 C21 C C sing 1.5 N N
64 C20 C25 C C sing 1.52 N N
65 C20 H20 C H sing 1.1 N N
66 C21 C26 C C sing 1.52 N N
67 C22 H22 C H sing 1.1 N N
68 C22 H22A C H sing 1.1 N N
69 C22 H22B C H sing 1.1 N N
70 C23 H23 C H sing 1.1 N N
71 C23 H23A C H sing 1.1 N N
72 C23 H23B C H sing 1.1 N N
73 C24 H24 C H sing 1.1 N N
74 C24 H24A C H sing 1.1 N N
75 C24 H24B C H sing 1.1 N N
76 C25 H25 C H sing 1.1 N N
77 C25 H25A C H sing 1.1 N N
78 C25 H25B C H sing 1.1 N N
79 C26 H26 C H sing 1.1 N N
80 C26 H26A C H sing 1.1 N N
81 C26 H26B C H sing 1.1 N N
82 C27 C28 C C sing 1.53 N N
83 C27 H27 C H sing 1.1 N N
84 C27 H27A C H sing 1.1 N N
85 C28 H28 C H sing 1.1 N N
86 C28 H28A C H sing 1.1 N N
87 IR1 CL1 IR CL sing 2.23 N N
88 IR1 N4 IR N sing 2.17 N N
89 IR1 N5 IR N sing 2.19 N N
90 IR1 C21 IR C sing 2.11 N N
91 IR1 C17 IR C sing 2.11 N N
92 IR1 C18 IR C sing 2.11 N N
93 IR1 C19 IR C sing 2.1 N N
94 IR1 C20 IR C sing 2.11 N N