Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : TIQ    

Bonds between two atoms of the molecule

Total Number of Bonds: 68


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 C2 C3 C C sing 1.53 N N
3 C3 S4 C S sing 1.81 N N
4 S4 C5 S C sing 1.76 N N
5 C5 N6 C N sing 1.33 N Y
6 C5 N42 C N doub 1.32 N Y
7 N6 C7 N C doub 1.33 N Y
8 C7 N8 C N sing 1.38 N N
9 C7 C22 C C sing 1.41 N Y
10 N8 C9 N C sing 1.47 N N
11 C9 C11 C C sing 1.53 N N
12 C9 C12 C C sing 1.53 N N
13 C11 C12 C C sing 1.53 N N
14 C12 C14 C C sing 1.51 N N
15 C14 C15 C C sing 1.38 N Y
16 C14 C21 C C doub 1.38 N Y
17 C15 C16 C C doub 1.38 N Y
18 C16 C17 C C sing 1.38 N Y
19 C17 F18 C F sing 1.35 N N
20 C17 C19 C C doub 1.39 N Y
21 C19 F20 C F sing 1.35 N N
22 C19 C21 C C sing 1.38 N Y
23 C22 N23 C N sing 1.34 N Y
24 C22 C41 C C doub 1.41 N Y
25 N23 N24 N N doub 1.29 N Y
26 N24 N25 N N sing 1.4 N Y
27 N25 C26 N C sing 1.46 N N
28 N25 C41 N C sing 1.37 N Y
29 C26 C28 C C sing 1.55 N N
30 C26 C38 C C sing 1.54 N N
31 C28 C29 C C sing 1.55 N N
32 C29 O31 C O sing 1.43 N N
33 C29 C35 C C sing 1.54 N N
34 O31 C32 O C sing 1.43 N N
35 C32 C33 C C sing 1.53 N N
36 C33 O34 C O sing 1.43 N N
37 C35 O37 C O sing 1.43 N N
38 C35 C38 C C sing 1.54 N N
39 C38 O40 C O sing 1.43 N N
40 C41 N42 C N sing 1.33 N Y
41 C1 H11C C H sing 1.09 N N
42 C1 H12C C H sing 1.09 N N
43 C1 H13C C H sing 1.09 N N
44 C2 H21C C H sing 1.09 N N
45 C2 H22C C H sing 1.09 N N
46 C3 H31C C H sing 1.09 N N
47 C3 H32C C H sing 1.09 N N
48 N8 H8 N H sing 0.97 N N
49 C9 H9 C H sing 1.09 N N
50 C11 H111 C H sing 1.09 N N
51 C11 H112 C H sing 1.09 N N
52 C12 H12 C H sing 1.09 N N
53 C15 H15 C H sing 1.08 N N
54 C21 H21 C H sing 1.08 N N
55 C16 H16 C H sing 1.08 N N
56 C26 H26 C H sing 1.09 N N
57 C28 H281 C H sing 1.09 N N
58 C28 H282 C H sing 1.09 N N
59 C38 H38 C H sing 1.09 N N
60 C29 H29 C H sing 1.09 N N
61 C35 H35 C H sing 1.09 N N
62 C32 H321 C H sing 1.09 N N
63 C32 H322 C H sing 1.09 N N
64 C33 H331 C H sing 1.09 N N
65 C33 H332 C H sing 1.09 N N
66 O34 H34 O H sing 0.97 N N
67 O37 H37 O H sing 0.97 N N
68 O40 H40 O H sing 0.97 N N