Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : MDL    

Bonds between two atoms of the molecule

Total Number of Bonds: 72


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 N2 C N sing 1.47 N N
2 C1 H11 C H sing 1.09 N N
3 C1 H12 C H sing 1.09 N N
4 C1 H13 C H sing 1.09 N N
5 N2 C6 N C sing 1.47 N N
6 N2 HN2 N H sing 1.01 N N
7 C6 C7 C C sing 1.51 N N
8 C6 C55 C C sing 1.53 N N
9 C6 H6 C H sing 1.09 N N
10 C7 N8 C N sing 1.35 N N
11 C7 O9 C O doub 1.21 N N
12 N8 C11 N C sing 1.47 N N
13 N8 C18 N C sing 1.47 N N
14 C11 C12 C C sing 1.55 N N
15 C11 H111 C H sing 1.09 N N
16 C11 H112 C H sing 1.09 N N
17 C12 C15 C C sing 1.55 N N
18 C12 H121 C H sing 1.09 N N
19 C12 H122 C H sing 1.09 N N
20 C15 C18 C C sing 1.54 N N
21 C15 H151 C H sing 1.09 N N
22 C15 H152 C H sing 1.09 N N
23 C18 C21 C C sing 1.51 N N
24 C18 H18 C H sing 1.09 N N
25 C21 N23 C N sing 1.35 N N
26 C21 O24 C O doub 1.21 N N
27 N23 C25 N C sing 1.46 N N
28 N23 HN3 N H sing 0.97 N N
29 C25 C26 C C sing 1.53 N N
30 C25 C44 C C sing 1.51 N N
31 C25 H25 C H sing 1.09 N N
32 C26 C27 C C sing 1.51 N N
33 C26 H261 C H sing 1.09 N N
34 C26 H262 C H sing 1.09 N N
35 C27 C30 C C doub 1.34 N Y
36 C27 C31 C C sing 1.47 N Y
37 C30 N33 C N sing 1.37 N Y
38 C30 H30 C H sing 1.08 N N
39 C31 C32 C C doub 1.41 N Y
40 C31 C37 C C sing 1.4 N Y
41 C32 N33 C N sing 1.38 N Y
42 C32 C34 C C sing 1.39 N Y
43 N33 HN33 N H sing 0.97 N N
44 C34 C35 C C doub 1.38 N Y
45 C34 H34 C H sing 1.08 N N
46 C35 C36 C C sing 1.39 N Y
47 C35 H35 C H sing 1.08 N N
48 C36 C37 C C doub 1.37 N Y
49 C36 H36 C H sing 1.08 N N
50 C37 H37 C H sing 1.08 N N
51 C44 O46 C O doub 1.21 N N
52 C44 C47 C C sing 1.51 N N
53 C47 F48 C F sing 1.4 N N
54 C47 F49 C F sing 1.4 N N
55 C47 C50 C C sing 1.53 N N
56 C50 F51 C F sing 1.4 N N
57 C50 F52 C F sing 1.4 N N
58 C50 F53 C F sing 1.4 N N
59 C55 C57 C C sing 1.51 N N
60 C55 H551 C H sing 1.09 N N
61 C55 H552 C H sing 1.09 N N
62 C57 C60 C C doub 1.38 N Y
63 C57 C64 C C sing 1.38 N Y
64 C60 C61 C C sing 1.38 N Y
65 C60 H60 C H sing 1.08 N N
66 C61 C62 C C doub 1.38 N Y
67 C61 H61 C H sing 1.08 N N
68 C62 C63 C C sing 1.38 N Y
69 C62 H62 C H sing 1.08 N N
70 C63 C64 C C doub 1.38 N Y
71 C63 H63 C H sing 1.08 N N
72 C64 H64 C H sing 1.08 N N