Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : XU2    

Bonds between two atoms of the molecule

Total Number of Bonds: 53


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C5 C6 C C doub 1.3777231 N Y
2 C5 C1 C C sing 1.3883213 N Y
3 C6 C7 C C sing 1.3940781 N Y
4 C1 C2 C C doub 1.3793901 N Y
5 C7 C8 C C sing 1.469095 N N
6 C7 C3 C C doub 1.410351 N Y
7 C2 C3 C C sing 1.3919634 N Y
8 O12 C8 O C doub 1.2173849 N N
9 C8 N1 C N sing 1.3452859 N N
10 C3 C4 C C sing 1.4718498 N N
11 N1 C9 N C sing 1.3810807 N N
12 C4 C9 C C doub 1.4024442 N Y
13 C4 C12 C C sing 1.4033638 N Y
14 N3 C12 N C sing 1.3884859 N N
15 N3 C13 N C sing 1.3989578 N N
16 C9 N2 C N sing 1.328822 N Y
17 C12 C11 C C doub 1.3942349 N Y
18 C13 C18 C C doub 1.3898507 N Y
19 C13 C14 C C sing 1.3902007 N Y
20 C18 C17 C C sing 1.3801206 N Y
21 C14 C15 C C doub 1.3798703 N Y
22 N2 C10 N C doub 1.3177799 N Y
23 C17 C16 C C doub 1.3879633 N Y
24 C11 C10 C C sing 1.3802329 N Y
25 C15 C16 C C sing 1.388734 N Y
26 C16 N4 C N sing 1.4006431 N N
27 O38 C19 O C doub 1.2152292 N N
28 N4 C19 N C sing 1.3478597 N N
29 C19 C20 C C sing 1.4776759 N N
30 C20 C21 C C doub 1.3962436 N Y
31 C20 C25 C C sing 1.3960853 N Y
32 C21 C22 C C sing 1.378864 N Y
33 C25 C24 C C doub 1.380422 N Y
34 C22 C23 C C doub 1.3838085 N Y
35 C24 C23 C C sing 1.3833131 N Y
36 C6 H1 C H sing 1.0797898 N N
37 C5 H2 C H sing 1.0798731 N N
38 C1 H3 C H sing 1.0794786 N N
39 C2 H4 C H sing 1.0796249 N N
40 N1 H5 N H sing 0.969851 N N
41 C10 H6 C H sing 1.0802264 N N
42 C11 H7 C H sing 1.0800185 N N
43 N3 H8 N H sing 0.96970564 N N
44 C14 H9 C H sing 1.0792998 N N
45 C15 H10 C H sing 1.0806383 N N
46 C18 H11 C H sing 1.0798954 N N
47 C17 H12 C H sing 1.0809746 N N
48 N4 H13 N H sing 0.9706833 N N
49 C21 H14 C H sing 1.0804082 N N
50 C22 H15 C H sing 1.08008 N N
51 C23 H16 C H sing 1.079573 N N
52 C24 H17 C H sing 1.0797064 N N
53 C25 H18 C H sing 1.0793114 N N