Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : 0UP    

Bonds between two atoms of the molecule

Total Number of Bonds: 68


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C20 C24 C C sing 1.5296892 N N
2 C23 C8 C C sing 1.5076382 N N
3 C23 N27 C N sing 1.468707 N N
4 C24 C21 C C sing 1.5302486 N N
5 C24 O31 C O sing 1.4287404 N N
6 C8 C6 C C doub 1.382536 N Y
7 C8 C2 C C sing 1.381838 N Y
8 C6 C11 C C sing 1.3853542 N Y
9 C2 C4 C C doub 1.3823278 N Y
10 C11 O31 C O sing 1.3600764 N N
11 C11 C10 C C doub 1.3910805 N Y
12 N27 C16 N C sing 1.4685622 N N
13 N27 C17 N C sing 1.4686964 N N
14 C19 C17 C C sing 1.5294731 N N
15 C4 C10 C C sing 1.3856013 N Y
16 C10 O30 C O sing 1.3604532 N N
17 C16 C13 C C sing 1.5302552 N N
18 C17 C14 C C sing 1.5301415 N N
19 C13 C18 C C sing 1.5330163 N N
20 C14 C18 C C sing 1.5333966 N N
21 C18 C15 C C sing 1.5281031 N N
22 C18 N25 C N sing 1.4711825 N N
23 C15 N26 C N sing 1.47415 N N
24 C3 C1 C C doub 1.3803511 N Y
25 C3 C9 C C sing 1.3898755 N Y
26 C1 C5 C C sing 1.3828597 N Y
27 C9 N25 C N sing 1.3967627 N N
28 C9 C7 C C doub 1.3884157 N Y
29 N25 S33 N S sing 1.6682808 N N
30 C5 C12 C C doub 1.3843038 N Y
31 C7 C12 C C sing 1.3835877 N Y
32 C12 F32 C F sing 1.3511513 N N
33 N26 S33 N S sing 1.6720114 N N
34 N26 C22 N C sing 1.4655167 N N
35 S33 O28 S O doub 1.4211358 N N
36 S33 O29 S O doub 1.4210746 N N
37 C1 H1 C H sing 1.0804541 N N
38 C2 H2 C H sing 1.0798843 N N
39 C3 H3 C H sing 1.0799768 N N
40 C4 H4 C H sing 1.0805717 N N
41 C5 H5 C H sing 1.0801916 N N
42 C6 H6 C H sing 1.0799212 N N
43 C7 H7 C H sing 1.0801764 N N
44 C13 H8 C H sing 1.0900679 N N
45 C13 H9 C H sing 1.090039 N N
46 C14 H10 C H sing 1.0899931 N N
47 C14 H11 C H sing 1.0901793 N N
48 C15 H12 C H sing 1.089314 N N
49 C15 H13 C H sing 1.0903183 N N
50 C16 H14 C H sing 1.0900028 N N
51 C16 H15 C H sing 1.0904981 N N
52 C17 H16 C H sing 1.090316 N N
53 C19 H17 C H sing 1.090061 N N
54 C19 H18 C H sing 1.0901073 N N
55 C19 H19 C H sing 1.0896449 N N
56 C20 H20 C H sing 1.0906012 N N
57 C20 H21 C H sing 1.0899221 N N
58 C20 H22 C H sing 1.0908043 N N
59 C21 H23 C H sing 1.0899221 N N
60 C21 H24 C H sing 1.090223 N N
61 C21 H25 C H sing 1.0908043 N N
62 C22 H26 C H sing 1.0902871 N N
63 C22 H27 C H sing 1.0901903 N N
64 C22 H28 C H sing 1.0899165 N N
65 C23 H29 C H sing 1.0897899 N N
66 C23 H30 C H sing 1.0900229 N N
67 C24 H31 C H sing 1.0902739 N N
68 O30 H33 O H sing 0.96745026 N N