Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : ROC    

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 O C O C doub 1.22 N N
2 C C2 C C sing 1.48 N N
3 N1 C2 N C doub 1.32 N Y
4 N1 C8A N C sing 1.33 N Y
5 C2 C3 C C sing 1.4 N Y
6 C3 C4 C C doub 1.37 N Y
7 C3 H3 C H sing 1.08 N N
8 C4 C4A C C sing 1.41 N Y
9 C4 H4 C H sing 1.08 N N
10 C4A C5 C C doub 1.4 N Y
11 C4A C8A C C sing 1.42 N Y
12 C5 C6 C C sing 1.36 N Y
13 C5 H5 C H sing 1.08 N N
14 C6 C7 C C doub 1.39 N Y
15 C6 H6 C H sing 1.08 N N
16 C7 C8 C C sing 1.36 N Y
17 C7 H7 C H sing 1.08 N N
18 C8 C8A C C doub 1.41 N Y
19 C8 H8 C H sing 1.08 N N
20 N CA N C sing 1.46 N N
21 N H N H sing 0.97 N N
22 CA C1 C C sing 1.51 N N
23 CA CB C C sing 1.53 N N
24 CA HA C H sing 1.09 N N
25 C1 O1 C O doub 1.21 N N
26 CB CG C C sing 1.51 N N
27 CB HB2 C H sing 1.09 N N
28 CB HB3 C H sing 1.09 N N
29 CG OD1 C O doub 1.21 N N
30 CG ND2 C N sing 1.35 N N
31 ND2 HD21 N H sing 0.97 N N
32 ND2 HD22 N H sing 0.97 N N
33 C9 O2 C O sing 1.43 N N
34 C9 CA1 C C sing 1.53 N N
35 C9 HC C H sing 1.09 N N
36 O2 HO O H sing 0.97 N N
37 CA1 N2 C N sing 1.46 N N
38 CA1 CB1 C C sing 1.53 N N
39 CA1 HA1 C H sing 1.09 N N
40 N2 H1 N H sing 0.97 N N
41 CB1 CG1 C C sing 1.51 N N
42 CB1 HB21 C H sing 1.09 N N
43 CB1 HB31 C H sing 1.09 N N
44 CG1 CD1 C C doub 1.38 N Y
45 CG1 CD2 C C sing 1.38 N Y
46 CD1 CE1 C C sing 1.38 N Y
47 CD1 HD1 C H sing 1.08 N N
48 CD2 CE2 C C doub 1.38 N Y
49 CD2 HD2 C H sing 1.08 N N
50 CE1 CZ C C doub 1.38 N Y
51 CE1 HE1 C H sing 1.08 N N
52 CE2 CZ C C sing 1.38 N Y
53 CE2 HE2 C H sing 1.08 N N
54 CZ HZ C H sing 1.08 N N
55 N11 CM N C sing 1.47 N N
56 N11 C21 N C sing 1.47 N N
57 N11 C81 N C sing 1.47 N N
58 CM HM1 C H sing 1.09 N N
59 CM HM2 C H sing 1.09 N N
60 C21 CC C C sing 1.51 N N
61 C21 C31 C C sing 1.53 N N
62 C21 H2 C H sing 1.09 N N
63 CC O3 C O doub 1.21 N N
64 C31 C3A C C sing 1.53 N N
65 C31 H31 C H sing 1.09 N N
66 C31 H32 C H sing 1.09 N N
67 C3A C41 C C sing 1.53 N N
68 C3A C7A C C sing 1.53 N N
69 C3A H3A C H sing 1.09 N N
70 C41 C51 C C sing 1.53 N N
71 C41 H41 C H sing 1.09 N N
72 C41 H42 C H sing 1.09 N N
73 C51 C61 C C sing 1.53 N N
74 C51 H51 C H sing 1.09 N N
75 C51 H52 C H sing 1.09 N N
76 C61 C71 C C sing 1.53 N N
77 C61 H61 C H sing 1.09 N N
78 C61 H62 C H sing 1.09 N N
79 C71 C7A C C sing 1.53 N N
80 C71 H71 C H sing 1.09 N N
81 C71 H72 C H sing 1.09 N N
82 C7A C81 C C sing 1.53 N N
83 C7A H7A C H sing 1.09 N N
84 C81 H81 C H sing 1.09 N N
85 C81 H82 C H sing 1.09 N N
86 N3 CD N C sing 1.46 N N
87 N3 HN1 N H sing 0.97 N N
88 CD C11 C C sing 1.53 N N
89 CD C22 C C sing 1.53 N N
90 CD C32 C C sing 1.53 N N
91 C11 H11 C H sing 1.09 N N
92 C11 H12 C H sing 1.09 N N
93 C11 H13 C H sing 1.09 N N
94 C22 H21 C H sing 1.09 N N
95 C22 H22 C H sing 1.09 N N
96 C22 H23 C H sing 1.09 N N
97 C32 H311 C H sing 1.09 N N
98 C32 H321 C H sing 1.09 N N
99 C32 H33 C H sing 1.09 N N
100 C N C N sing 1.35 N N
101 C1 N2 C N sing 1.35 N N
102 C9 CM C C sing 1.53 N N
103 CC N3 C N sing 1.35 N N