Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : XAT    

Bonds between two atoms of the molecule

Total Number of Bonds: 103


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 C2 C C sing 1.53 N N
2 C1 C6 C C sing 1.53 N N
3 C1 C16 C C sing 1.53 N N
4 C1 C17 C C sing 1.53 N N
5 C2 C3 C C sing 1.53 N N
6 C2 H21 C H sing 1.09 N N
7 C2 H22 C H sing 1.09 N N
8 C3 C4 C C sing 1.53 N N
9 C3 O3 C O sing 1.43 N N
10 C3 H3 C H sing 1.09 N N
11 C4 C5 C C sing 1.52 N N
12 C4 H41 C H sing 1.09 N N
13 C4 H42 C H sing 1.09 N N
14 C5 C6 C C sing 1.52 N N
15 C5 C18 C C sing 1.53 N N
16 C5 O4 C O sing 1.42 N N
17 C6 C7 C C sing 1.51 N N
18 C6 O4 C O sing 1.44 N N
19 C7 C8 C C doub 1.34 E N
20 C7 H7 C H sing 1.08 N N
21 C8 C9 C C sing 1.42 N N
22 C8 H8 C H sing 1.08 N N
23 C9 C10 C C doub 1.36 E N
24 C9 C19 C C sing 1.51 N N
25 C10 C11 C C sing 1.41 N N
26 C10 H10 C H sing 1.08 N N
27 C11 C12 C C doub 1.36 E N
28 C11 H11 C H sing 1.08 N N
29 C12 C13 C C sing 1.4 N N
30 C12 H12 C H sing 1.08 N N
31 C13 C14 C C doub 1.38 E N
32 C13 C20 C C sing 1.51 N N
33 C14 C15 C C sing 1.4 N N
34 C14 H14 C H sing 1.08 N N
35 C15 C35 C C doub 1.38 E N
36 C15 H15 C H sing 1.08 N N
37 C16 H161 C H sing 1.09 N N
38 C16 H162 C H sing 1.09 N N
39 C16 H163 C H sing 1.09 N N
40 C17 H171 C H sing 1.09 N N
41 C17 H172 C H sing 1.09 N N
42 C17 H173 C H sing 1.09 N N
43 C18 H181 C H sing 1.09 N N
44 C18 H182 C H sing 1.09 N N
45 C18 H183 C H sing 1.09 N N
46 C19 H191 C H sing 1.09 N N
47 C19 H192 C H sing 1.09 N N
48 C19 H193 C H sing 1.09 N N
49 C20 H201 C H sing 1.09 N N
50 C20 H202 C H sing 1.09 N N
51 C20 H203 C H sing 1.09 N N
52 O3 HO3 O H sing 0.97 N N
53 C21 C22 C C sing 1.53 N N
54 C21 C26 C C sing 1.53 N N
55 C21 C36 C C sing 1.53 N N
56 C21 C37 C C sing 1.53 N N
57 C22 C23 C C sing 1.53 N N
58 C22 H221 C H sing 1.09 N N
59 C22 H222 C H sing 1.09 N N
60 C23 C24 C C sing 1.53 N N
61 C23 O23 C O sing 1.43 N N
62 C23 H23 C H sing 1.09 N N
63 C24 C25 C C sing 1.52 N N
64 C24 H241 C H sing 1.09 N N
65 C24 H242 C H sing 1.09 N N
66 C25 C26 C C sing 1.52 N N
67 C25 C38 C C sing 1.53 N N
68 C25 O24 C O sing 1.42 N N
69 C26 C27 C C sing 1.51 N N
70 C26 O24 C O sing 1.44 N N
71 C27 C28 C C doub 1.34 E N
72 C27 H27 C H sing 1.08 N N
73 C28 C29 C C sing 1.42 N N
74 C28 H28 C H sing 1.08 N N
75 C29 C30 C C doub 1.36 E N
76 C29 C39 C C sing 1.51 N N
77 C30 C31 C C sing 1.41 N N
78 C30 H30 C H sing 1.08 N N
79 C31 C32 C C doub 1.37 E N
80 C31 H31 C H sing 1.08 N N
81 C32 C33 C C sing 1.4 N N
82 C32 H32 C H sing 1.08 N N
83 C33 C34 C C doub 1.38 E N
84 C33 C40 C C sing 1.51 N N
85 C34 C35 C C sing 1.4 N N
86 C34 H34 C H sing 1.08 N N
87 C35 H35 C H sing 1.08 N N
88 C36 H361 C H sing 1.09 N N
89 C36 H362 C H sing 1.09 N N
90 C36 H363 C H sing 1.09 N N
91 C37 H371 C H sing 1.09 N N
92 C37 H372 C H sing 1.09 N N
93 C37 H373 C H sing 1.09 N N
94 C38 H381 C H sing 1.09 N N
95 C38 H382 C H sing 1.09 N N
96 C38 H383 C H sing 1.09 N N
97 C39 H391 C H sing 1.09 N N
98 C39 H392 C H sing 1.09 N N
99 C39 H393 C H sing 1.09 N N
100 C40 H401 C H sing 1.09 N N
101 C40 H402 C H sing 1.09 N N
102 C40 H403 C H sing 1.09 N N
103 O23 H1 O H sing 0.97 N N