Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : X9S    

Bonds between two atoms of the molecule

Total Number of Bonds: 85


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C38 O39 C O sing 1.43 N N
2 C38 C37 C C sing 1.53 N N
3 O39 C40 O C sing 1.43 N N
4 C37 C22 C C sing 1.53 N N
5 C40 C41 C C sing 1.53 N N
6 N19 N20 N N sing 1.4 N Y
7 N19 C18 N C doub 1.3 N Y
8 C41 C22 C C sing 1.53 N N
9 C22 N20 C N sing 1.46 N N
10 N20 C21 N C sing 1.35 N Y
11 C18 C17 C C sing 1.41 N Y
12 C21 C17 C C doub 1.38 N Y
13 C21 C23 C C sing 1.51 N N
14 C17 C15 C C sing 1.48 N N
15 C15 N14 C N sing 1.37 N Y
16 C15 N16 C N doub 1.31 N Y
17 N14 C13 N C sing 1.38 N Y
18 N16 C12 N C sing 1.35 N Y
19 C13 N11 C N doub 1.32 N Y
20 C13 C12 C C sing 1.41 N Y
21 N11 C10 N C sing 1.32 N Y
22 C12 C8 C C doub 1.41 N Y
23 C10 C9 C C doub 1.38 N Y
24 C8 C9 C C sing 1.4 N Y
25 C8 C1 C C sing 1.48 N N
26 C4 C1 C C doub 1.39 N Y
27 C4 C33 C C sing 1.39 N Y
28 C36 C33 C C sing 1.51 N N
29 C36 C43 C C sing 1.53 N N
30 C1 C2 C C sing 1.39 N Y
31 C33 C34 C C doub 1.38 N Y
32 C43 C42 C C sing 1.53 N N
33 C2 C3 C C doub 1.38 N Y
34 C42 C35 C C sing 1.53 N N
35 C34 C3 C C sing 1.39 N Y
36 C34 C35 C C sing 1.51 N N
37 C35 N5 C N sing 1.47 N N
38 N5 C6 N C sing 1.35 N N
39 C6 O7 C O doub 1.21 N N
40 C6 C24 C C sing 1.48 N N
41 C24 N28 C N doub 1.32 N Y
42 C24 O25 C O sing 1.34 N Y
43 N28 C27 N C sing 1.34 N Y
44 O25 N26 O N sing 1.21 N Y
45 C32 C29 C C sing 1.53 N N
46 C27 N26 C N doub 1.3 N Y
47 C27 C29 C C sing 1.51 N N
48 C29 C31 C C sing 1.53 N N
49 C29 C30 C C sing 1.53 N N
50 C2 H1 C H sing 1.08 N N
51 C3 H2 C H sing 1.08 N N
52 C9 H3 C H sing 1.08 N N
53 C10 H4 C H sing 1.08 N N
54 C22 H5 C H sing 1.09 N N
55 C30 H6 C H sing 1.09 N N
56 C30 H7 C H sing 1.09 N N
57 C30 H8 C H sing 1.09 N N
58 C31 H9 C H sing 1.09 N N
59 C31 H10 C H sing 1.09 N N
60 C31 H11 C H sing 1.09 N N
61 C32 H12 C H sing 1.09 N N
62 C32 H13 C H sing 1.09 N N
63 C32 H14 C H sing 1.09 N N
64 C35 H15 C H sing 1.09 N N
65 C4 H16 C H sing 1.08 N N
66 N5 H17 N H sing 0.97 N N
67 N14 H18 N H sing 0.97 N N
68 C18 H20 C H sing 1.08 N N
69 C23 H21 C H sing 1.09 N N
70 C23 H22 C H sing 1.09 N N
71 C23 H23 C H sing 1.09 N N
72 C36 H24 C H sing 1.09 N N
73 C36 H25 C H sing 1.09 N N
74 C37 H26 C H sing 1.09 N N
75 C37 H27 C H sing 1.09 N N
76 C38 H28 C H sing 1.09 N N
77 C38 H29 C H sing 1.09 N N
78 C40 H30 C H sing 1.09 N N
79 C40 H31 C H sing 1.09 N N
80 C41 H32 C H sing 1.09 N N
81 C41 H33 C H sing 1.09 N N
82 C42 H34 C H sing 1.09 N N
83 C42 H35 C H sing 1.09 N N
84 C43 H36 C H sing 1.09 N N
85 C43 H37 C H sing 1.09 N N