Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : XR7    

Bonds between two atoms of the molecule

Total Number of Bonds: 116


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 O02 C13 O C doub 1.22 N N
2 C07 C08 C C doub 1.37 N Y
3 C07 C06 C C sing 1.4 N Y
4 C13 C06 C C sing 1.47 N N
5 C13 N02 C N sing 1.35 N N
6 C12 N02 C N sing 1.47 N N
7 C08 C09 C C sing 1.39 N Y
8 C06 C05 C C doub 1.41 N Y
9 N02 C11 N C sing 1.36 N N
10 C09 C10 C C doub 1.38 N Y
11 C05 C10 C C sing 1.39 N Y
12 C05 C04 C C sing 1.47 N N
13 C11 C04 C C doub 1.36 N N
14 C04 C03 C C sing 1.48 N N
15 O11 S01 O S doub 1.42 N N
16 C03 C02 C C doub 1.39 N Y
17 C03 C16 C C sing 1.4 N Y
18 C02 C01 C C sing 1.39 N Y
19 S01 O01 S O doub 1.42 N N
20 S01 N01 S N sing 1.66 N N
21 S01 C43 S C sing 1.81 N N
22 O03 C16 O C sing 1.36 N N
23 O03 C17 O C sing 1.43 N N
24 C44 C43 C C sing 1.53 N N
25 C16 C15 C C doub 1.38 N Y
26 C01 N01 C N sing 1.4 N N
27 C01 C14 C C doub 1.39 N Y
28 O04 C19 O C sing 1.43 N N
29 O04 C18 O C sing 1.43 N N
30 C19 C20 C C sing 1.53 N N
31 C18 C17 C C sing 1.53 N N
32 C20 O05 C O sing 1.43 N N
33 C15 C14 C C sing 1.38 N Y
34 O05 C21 O C sing 1.43 N N
35 C21 C22 C C sing 1.53 N N
36 C22 O06 C O sing 1.43 N N
37 O06 C23 O C sing 1.43 N N
38 C42 C41 C C doub 1.38 N Y
39 C42 C25 C C sing 1.38 N Y
40 C41 C38 C C sing 1.39 N Y
41 C23 C24 C C sing 1.53 N N
42 C24 O07 C O sing 1.43 N N
43 C39 C40 C C sing 1.53 N N
44 C39 S02 C S sing 1.81 N N
45 N04 C38 N C sing 1.4 N N
46 N04 S02 N S sing 1.66 N N
47 O07 C25 O C sing 1.36 N N
48 C38 C37 C C doub 1.39 N Y
49 C25 C26 C C doub 1.4 N Y
50 O09 S02 O S doub 1.42 N N
51 S02 O10 S O doub 1.42 N N
52 C26 C37 C C sing 1.39 N Y
53 C26 C27 C C sing 1.48 N N
54 C27 C28 C C doub 1.36 N N
55 C27 C32 C C sing 1.47 N N
56 C28 N03 C N sing 1.36 N N
57 C33 C32 C C doub 1.39 N Y
58 C33 C34 C C sing 1.38 N Y
59 C32 C31 C C sing 1.41 N Y
60 N03 C29 N C sing 1.47 N N
61 N03 C30 N C sing 1.35 N N
62 C34 C35 C C doub 1.39 N Y
63 C31 C30 C C sing 1.47 N N
64 C31 C36 C C doub 1.39 N Y
65 C30 O08 C O doub 1.22 N N
66 C35 C36 C C sing 1.37 N Y
67 C02 H1 C H sing 1.08 N N
68 C07 H2 C H sing 1.08 N N
69 C08 H3 C H sing 1.08 N N
70 C09 H4 C H sing 1.08 N N
71 C10 H5 C H sing 1.08 N N
72 C11 H6 C H sing 1.08 N N
73 C12 H7 C H sing 1.09 N N
74 C12 H8 C H sing 1.09 N N
75 C12 H9 C H sing 1.09 N N
76 C14 H10 C H sing 1.08 N N
77 C15 H11 C H sing 1.08 N N
78 C17 H12 C H sing 1.09 N N
79 C17 H13 C H sing 1.09 N N
80 C18 H14 C H sing 1.09 N N
81 C18 H15 C H sing 1.09 N N
82 C19 H16 C H sing 1.09 N N
83 C19 H17 C H sing 1.09 N N
84 C20 H18 C H sing 1.09 N N
85 C20 H19 C H sing 1.09 N N
86 C21 H20 C H sing 1.09 N N
87 C21 H21 C H sing 1.09 N N
88 C22 H22 C H sing 1.09 N N
89 C22 H23 C H sing 1.09 N N
90 C23 H24 C H sing 1.09 N N
91 C23 H25 C H sing 1.09 N N
92 C24 H26 C H sing 1.09 N N
93 C24 H27 C H sing 1.09 N N
94 C28 H28 C H sing 1.08 N N
95 C29 H29 C H sing 1.09 N N
96 C29 H30 C H sing 1.09 N N
97 C29 H31 C H sing 1.09 N N
98 C33 H32 C H sing 1.08 N N
99 C34 H33 C H sing 1.08 N N
100 C35 H34 C H sing 1.08 N N
101 C36 H35 C H sing 1.08 N N
102 C37 H36 C H sing 1.08 N N
103 C39 H37 C H sing 1.09 N N
104 C39 H38 C H sing 1.09 N N
105 C40 H39 C H sing 1.09 N N
106 C40 H40 C H sing 1.09 N N
107 C40 H41 C H sing 1.09 N N
108 C41 H42 C H sing 1.08 N N
109 C42 H43 C H sing 1.08 N N
110 C43 H44 C H sing 1.09 N N
111 C43 H45 C H sing 1.09 N N
112 C44 H46 C H sing 1.09 N N
113 C44 H47 C H sing 1.09 N N
114 C44 H48 C H sing 1.09 N N
115 N01 H49 N H sing 0.97 N N
116 N04 H50 N H sing 0.97 N N