Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : ECT    

Bonds between two atoms of the molecule

Total Number of Bonds: 105


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 C2 C C sing 1.55 N N
2 C1 O27 C O sing 1.44 N N
3 C1 H11A C H sing 1.1 N N
4 C1 H12A C H sing 1.09 N N
5 C2 C3 C C sing 1.52 N N
6 C2 N22 C N sing 1.49 N N
7 C2 H2 C H sing 1.1 N N
8 C3 C4 C C doub 1.39 N Y
9 C3 C19 C C sing 1.41 N Y
10 C4 O5 C O sing 1.36 N N
11 C4 C8 C C sing 1.38 N Y
12 O5 C6 O C sing 1.44 N N
13 C6 O7 C O sing 1.44 N N
14 C6 H61 C H sing 1.1 N N
15 C6 H62 C H sing 1.1 N N
16 O7 C8 O C sing 1.36 N N
17 C8 C9 C C doub 1.38 N Y
18 C9 C10 C C sing 1.49 N N
19 C9 C14 C C sing 1.39 N Y
20 C10 H11 C H sing 1.1 N N
21 C10 H12 C H sing 1.1 N N
22 C10 H13 C H sing 1.1 N N
23 C14 O15 C O sing 1.37 N N
24 C14 C19 C C doub 1.41 N Y
25 O15 C16 O C sing 1.4 N N
26 C16 O17 C O doub 1.22 N N
27 C16 C18 C C sing 1.5 N N
28 C18 H181 C H sing 1.09 N N
29 C18 H182 C H sing 1.09 N N
30 C18 H183 C H sing 1.09 N N
31 C19 C20 C C sing 1.51 N N
32 C20 C21 C C sing 1.57 N N
33 C20 S C S sing 1.86 N N
34 C20 H20 C H sing 1.1 N N
35 C21 N22 C N sing 1.48 N N
36 C21 C44 C C sing 1.58 N N
37 C21 H21 C H sing 1.11 N N
38 N22 C40 N C sing 1.48 N N
39 S C23 S C sing 1.84 N N
40 C23 C24 C C sing 1.57 N N
41 C23 H231 C H sing 1.09 N N
42 C23 H232 C H sing 1.1 N N
43 C24 C25 C C sing 1.54 N N
44 C24 C28 C C sing 1.54 N N
45 C24 N39 C N sing 1.48 N N
46 C25 O26 C O doub 1.23 N N
47 C25 O27 C O sing 1.37 N N
48 C28 C29 C C doub 1.41 N Y
49 C28 C36 C C sing 1.41 N Y
50 C29 C30 C C sing 1.4 N Y
51 C29 H29 C H sing 1.09 N N
52 C30 O31 C O sing 1.36 N N
53 C30 C33 C C doub 1.39 N Y
54 O31 C32 O C sing 1.43 N N
55 C32 H321 C H sing 1.09 N N
56 C32 H322 C H sing 1.09 N N
57 C32 H323 C H sing 1.09 N N
58 C33 O34 C O sing 1.36 N N
59 C33 C35 C C sing 1.39 N Y
60 O34 H34 O H sing 0.97 N N
61 C35 C36 C C doub 1.4 N Y
62 C35 H35 C H sing 1.09 N N
63 C36 C37 C C sing 1.51 N N
64 C37 C38 C C sing 1.52 N N
65 C37 H371 C H sing 1.1 N N
66 C37 H372 C H sing 1.1 N N
67 C38 N39 C N sing 1.46 N N
68 C38 H381 C H sing 1.1 N N
69 C38 H382 C H sing 1.1 N N
70 N39 H39 N H sing 1.02 N N
71 C40 O40 C O sing 1.44 N N
72 C40 C41 C C sing 1.55 N N
73 C40 H40 C H sing 1.1 N N
74 O40 H42 O H sing 0.97 N N
75 C41 N42 C N sing 1.47 N N
76 C41 C54 C C sing 1.55 N N
77 C41 H41 C H sing 1.1 N N
78 N42 C43 N C sing 1.46 N N
79 N42 C44 N C sing 1.48 N N
80 C43 H431 C H sing 1.09 N N
81 C43 H432 C H sing 1.09 N N
82 C43 H433 C H sing 1.09 N N
83 C44 C45 C C sing 1.51 N N
84 C44 H44 C H sing 1.1 N N
85 C45 C46 C C doub 1.4 N Y
86 C45 C53 C C sing 1.4 N Y
87 C46 O47 C O sing 1.37 N N
88 C46 C47 C C sing 1.39 N Y
89 O47 H47 O H sing 0.97 N N
90 C47 O48 C O sing 1.36 N N
91 C47 C50 C C doub 1.39 N Y
92 O48 C49 O C sing 1.42 N N
93 C49 H491 C H sing 1.09 N N
94 C49 H492 C H sing 1.09 N N
95 C49 H493 C H sing 1.09 N N
96 C50 C51 C C sing 1.49 N N
97 C50 C52 C C sing 1.39 N Y
98 C51 H511 C H sing 1.1 N N
99 C51 H512 C H sing 1.1 N N
100 C51 H513 C H sing 1.1 N N
101 C52 C53 C C doub 1.4 N Y
102 C52 H52 C H sing 1.09 N N
103 C53 C54 C C sing 1.51 N N
104 C54 H541 C H sing 1.1 N N
105 C54 H542 C H sing 1.1 N N