Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : JUB    

Bonds between two atoms of the molecule

Total Number of Bonds: 96


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 O48 S02 O S doub 1.42 N N
2 C04 C05 C C sing 1.53 N N
3 C04 N03 C N sing 1.46 N N
4 O01 S02 O S doub 1.42 N N
5 S02 N03 S N sing 1.66 N N
6 S02 C38 S C sing 1.76 N N
7 C05 N06 C N sing 1.47 N N
8 N03 C24 N C sing 1.47 N N
9 C24 C25 C C sing 1.53 N N
10 C38 C39 C C doub 1.39 N Y
11 C38 C47 C C sing 1.36 N Y
12 C39 C40 C C sing 1.36 N Y
13 N06 C23 N C sing 1.47 N N
14 N06 C07 N C sing 1.47 N N
15 C47 C46 C C doub 1.41 N Y
16 C25 C26 C C sing 1.53 N N
17 C25 C37 C C sing 1.53 N N
18 C23 C22 C C sing 1.53 N N
19 C26 N27 C N sing 1.47 N N
20 C22 N09 C N sing 1.47 N N
21 C40 C41 C C doub 1.4 N Y
22 C07 C08 C C sing 1.53 N N
23 C28 N27 C N sing 1.47 N N
24 C28 C29 C C sing 1.51 N N
25 C46 C41 C C sing 1.42 N Y
26 C46 C45 C C sing 1.41 N Y
27 C41 C42 C C sing 1.4 N Y
28 N27 C35 N C sing 1.47 N N
29 C37 C36 C C sing 1.53 N N
30 C45 C44 C C doub 1.36 N Y
31 N09 C08 N C sing 1.47 N N
32 N09 C10 N C sing 1.37 N N
33 C35 C36 C C sing 1.53 N N
34 C29 C30 C C doub 1.38 N Y
35 C29 C34 C C sing 1.38 N Y
36 C42 C43 C C doub 1.36 N Y
37 C30 C31 C C sing 1.38 N Y
38 C44 C43 C C sing 1.39 N Y
39 C34 C33 C C doub 1.38 N Y
40 C31 C32 C C doub 1.38 N Y
41 C33 C32 C C sing 1.38 N Y
42 C32 H1 C H sing 1.08 N N
43 C33 H2 C H sing 1.08 N N
44 C37 H3 C H sing 1.09 N N
45 C37 H4 C H sing 1.09 N N
46 C35 H5 C H sing 1.09 N N
47 C39 H6 C H sing 1.08 N N
48 C34 H7 C H sing 1.08 N N
49 C24 H8 C H sing 1.09 N N
50 C24 H9 C H sing 1.09 N N
51 C30 H13 C H sing 1.08 N N
52 C31 H14 C H sing 1.08 N N
53 C26 H15 C H sing 1.09 N N
54 C26 H16 C H sing 1.09 N N
55 C04 H17 C H sing 1.09 N N
56 C04 H18 C H sing 1.09 N N
57 C05 H19 C H sing 1.09 N N
58 C05 H20 C H sing 1.09 N N
59 C07 H21 C H sing 1.09 N N
60 C07 H22 C H sing 1.09 N N
61 C08 H23 C H sing 1.09 N N
62 C08 H24 C H sing 1.09 N N
63 C22 H25 C H sing 1.09 N N
64 C22 H26 C H sing 1.09 N N
65 C23 H27 C H sing 1.09 N N
66 C23 H28 C H sing 1.09 N N
67 C25 H29 C H sing 1.09 N N
68 C28 H30 C H sing 1.09 N N
69 C28 H31 C H sing 1.09 N N
70 C36 H32 C H sing 1.09 N N
71 C40 H33 C H sing 1.08 N N
72 C42 H34 C H sing 1.08 N N
73 C43 H35 C H sing 1.08 N N
74 C44 H36 C H sing 1.08 N N
75 C45 H37 C H sing 1.08 N N
76 C47 H38 C H sing 1.08 N N
77 C10 C1 C C doub 1.39 N Y
78 C1 C2 C C sing 1.38 N Y
79 C2 C3 C C doub 1.41 N Y
80 C3 C4 C C sing 1.47 N Y
81 C4 C5 C C sing 1.48 N Y
82 C5 C10 C C sing 1.46 N Y
83 C5 N2 C N doub 1.3 N Y
84 N2 O1 N O sing 1.22 N Y
85 O1 N1 O N sing 1.22 N Y
86 N1 C4 N C doub 1.3 N Y
87 C3 N3 C N sing 1.33 N N
88 N3 O2 N O sing 1.42 N N
89 N3 O3 N O doub 1.22 N N
90 C1 H10 C H sing 1.08 N N
91 C2 H11 C H sing 1.08 N N
92 O2 H12 O H sing 0.97 N N
93 N06 H39 N H sing 1.01 N N
94 C35 H40 C H sing 1.09 N N
95 C36 H41 C H sing 1.09 N N
96 N27 H42 N H sing 1.01 N N