Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : A85    

Bonds between two atoms of the molecule

Total Number of Bonds: 119


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 O2 C O doub 1.22 N N
2 C1 N3 C N sing 1.35 N N
3 C1 N21 C N sing 1.35 N N
4 N3 C4 N C sing 1.46 N N
5 N3 C5 N C sing 1.46 N N
6 C4 H12 C H sing 1.09 N N
7 C4 H13 C H sing 1.09 N N
8 C4 H14 C H sing 1.09 N N
9 C5 C6 C C sing 1.51 N N
10 C5 H15 C H sing 1.09 N N
11 C5 H16 C H sing 1.09 N N
12 C6 C7 C C sing 1.38 N Y
13 C6 N8 C N doub 1.32 N Y
14 C7 C9 C C doub 1.39 N Y
15 C7 H17 C H sing 1.08 N N
16 N8 C10 N C sing 1.32 N Y
17 C9 C11 C C sing 1.39 N Y
18 C9 H18 C H sing 1.08 N N
19 C10 C11 C C doub 1.38 N Y
20 C10 H19 C H sing 1.08 N N
21 C11 H20 C H sing 1.08 N N
22 N21 C22 N C sing 1.46 N N
23 N21 H28 N H sing 0.97 N N
24 C22 C23 C C sing 1.51 N N
25 C22 C25 C C sing 1.53 N N
26 C22 H29 C H sing 1.09 N N
27 C23 O24 C O doub 1.21 N N
28 C23 N37 C N sing 1.35 N N
29 C25 C26 C C sing 1.53 N N
30 C25 C27 C C sing 1.53 N N
31 C25 H30 C H sing 1.09 N N
32 C26 H31 C H sing 1.09 N N
33 C26 H32 C H sing 1.09 N N
34 C26 H33 C H sing 1.09 N N
35 C27 H34 C H sing 1.09 N N
36 C27 H35 C H sing 1.09 N N
37 C27 H36 C H sing 1.09 N N
38 N37 C38 N C sing 1.46 N N
39 N37 H59 N H sing 0.97 N N
40 C38 C39 C C sing 1.53 N N
41 C38 C46 C C sing 1.53 N N
42 C38 H60 C H sing 1.09 N N
43 C39 C40 C C sing 1.51 N N
44 C39 H61 C H sing 1.09 N N
45 C39 H62 C H sing 1.09 N N
46 C40 C41 C C doub 1.38 N Y
47 C40 C45 C C sing 1.38 N Y
48 C41 C42 C C sing 1.38 N Y
49 C41 H63 C H sing 1.08 N N
50 C42 C43 C C doub 1.38 N Y
51 C42 H64 C H sing 1.08 N N
52 C43 C44 C C sing 1.38 N Y
53 C43 H65 C H sing 1.08 N N
54 C44 C45 C C doub 1.38 N Y
55 C44 H66 C H sing 1.08 N N
56 C45 H67 C H sing 1.08 N N
57 C46 F1 C F sing 1.4 N N
58 C46 F2 C F sing 1.4 N N
59 C46 C49 C C sing 1.53 N N
60 C49 O47 C O sing 1.43 N N
61 C49 O48 C O sing 1.43 N N
62 C49 C51 C C sing 1.53 N N
63 O47 H68 O H sing 0.97 N N
64 O48 H69 O H sing 0.97 N N
65 N50 C51 N C sing 1.47 N N
66 N50 C83 N C sing 1.35 N N
67 N50 H72 N H sing 0.97 N N
68 C51 C52 C C sing 1.53 N N
69 C51 H73 C H sing 1.09 N N
70 C52 C53 C C sing 1.51 N N
71 C52 H74 C H sing 1.09 N N
72 C52 H75 C H sing 1.09 N N
73 C53 C54 C C doub 1.38 N Y
74 C53 C58 C C sing 1.38 N Y
75 C54 C55 C C sing 1.38 N Y
76 C54 H76 C H sing 1.08 N N
77 C55 C56 C C doub 1.38 N Y
78 C55 H77 C H sing 1.08 N N
79 C56 C57 C C sing 1.38 N Y
80 C56 H78 C H sing 1.08 N N
81 C57 C58 C C doub 1.38 N Y
82 C57 H79 C H sing 1.08 N N
83 C58 H80 C H sing 1.08 N N
84 N81 C82 N C sing 1.46 N N
85 N81 C97 N C sing 1.35 N N
86 N81 H88 N H sing 0.97 N N
87 C82 C83 C C sing 1.51 N N
88 C82 C85 C C sing 1.53 N N
89 C82 H89 C H sing 1.09 N N
90 C83 O84 C O doub 1.21 N N
91 C85 C86 C C sing 1.53 N N
92 C85 C87 C C sing 1.53 N N
93 C85 H90 C H sing 1.09 N N
94 C86 H91 C H sing 1.09 N N
95 C86 H92 C H sing 1.09 N N
96 C86 H93 C H sing 1.09 N N
97 C87 H94 C H sing 1.09 N N
98 C87 H95 C H sing 1.09 N N
99 C87 H96 C H sing 1.09 N N
100 C97 O98 C O doub 1.22 N N
101 C97 N99 C N sing 1.35 N N
102 N99 C2 N C sing 1.46 N N
103 N99 C3 N C sing 1.47 N N
104 C2 H1 C H sing 1.09 N N
105 C2 H10 C H sing 1.09 N N
106 C2 H11 C H sing 1.09 N N
107 C3 C8 C C sing 1.51 N N
108 C3 H2 C H sing 1.09 N N
109 C3 H3 C H sing 1.09 N N
110 C8 C12 C C sing 1.38 N Y
111 C8 N10 C N doub 1.32 N Y
112 C12 C13 C C doub 1.39 N Y
113 C12 H4 C H sing 1.08 N N
114 N10 C14 N C sing 1.32 N Y
115 C13 C15 C C sing 1.39 N Y
116 C13 H5 C H sing 1.08 N N
117 C14 C15 C C doub 1.38 N Y
118 C14 H6 C H sing 1.08 N N
119 C15 H7 C H sing 1.08 N N