Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Chemical Bonds

 Molecule : SMQ    

Bonds between two atoms of the molecule

Total Number of Bonds: 95


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 O4 C3J O C sing 1.35 N N
2 O4 HO4 O H sing 0.97 N N
3 C1S C1A C C doub 1.38 N Y
4 C1A C1B C C sing 1.39 N Y
5 C1A C2A C C sing 1.51 N N
6 C1B O1A C O sing 1.36 N N
7 O1A HO1A O H sing 0.97 N N
8 C1C C1B C C doub 1.38 N Y
9 C1D O1B C O sing 1.43 N N
10 O1B HO1B O H sing 0.97 N N
11 C1Q C1C C C sing 1.4 N Y
12 C1C C1D C C sing 1.51 N N
13 C1F O1C C O sing 1.43 N N
14 O1C HO1C O H sing 0.97 N N
15 C1E C1D C C sing 1.53 N N
16 C1D H1D C H sing 1.09 N N
17 O1D C1H O C sing 1.43 N N
18 O1D HO1D O H sing 0.97 N N
19 O1H C1E O C sing 1.44 N N
20 C1O C1E C C sing 1.53 N N
21 C1E C1F C C sing 1.52 N N
22 C1M O1E C O doub 1.21 N N
23 C1G C1F C C sing 1.53 N N
24 C1F H1F C H sing 1.09 N N
25 C1N O1F C O sing 1.43 N N
26 O1F HO1F O H sing 0.97 N N
27 C1H C1G C C sing 1.54 N N
28 C1G H1G C H sing 1.09 N N
29 C1G H1GA C H sing 1.09 N N
30 O1G C1P O C doub 1.21 N N
31 C1I C1H C C sing 1.53 N N
32 C1H C1N C C sing 1.53 N N
33 O1H C1O O C sing 1.42 N N
34 C1J C1I C C sing 1.5 N N
35 C1I H1I C H sing 1.09 N N
36 C1I H1IA C H sing 1.09 N N
37 C1K C1J C C sing 1.51 N N
38 C1J C1L C C doub 1.33 N N
39 C1K H1K C H sing 1.09 N N
40 C1K H1KA C H sing 1.09 N N
41 C1K H1KB C H sing 1.09 N N
42 C1L C1M C C sing 1.47 N N
43 C1L H1L C H sing 1.08 N N
44 C1M C1N C C sing 1.51 N N
45 C1N C1O C C sing 1.52 N N
46 C1O C1P C C sing 1.52 N N
47 C1P C1Q C C sing 1.48 N N
48 C1R C1Q C C doub 1.39 N Y
49 C1R C1S C C sing 1.38 N Y
50 C1R H1R C H sing 1.08 N N
51 C1S H1S C H sing 1.08 N N
52 C2B C2A C C sing 1.53 N N
53 C2A O2A C O sing 1.43 N N
54 C2A H2A C H sing 1.09 N N
55 O2A C2E O C sing 1.43 N N
56 C2B C2C C C sing 1.53 N N
57 C2B H2B C H sing 1.09 N N
58 C2B H2BA C H sing 1.09 N N
59 C2D O2B C O sing 1.45 N N
60 C2G O2B C O sing 1.34 N N
61 O2D C2C O C sing 1.43 N N
62 C2C C2D C C sing 1.53 N N
63 C2C H2C C H sing 1.09 N N
64 O2C C2G O C doub 1.21 N N
65 C2D C2E C C sing 1.53 N N
66 C2D H2D C H sing 1.09 N N
67 O2D C3A O C sing 1.35 N N
68 C2E C2F C C sing 1.53 N N
69 C2E H2E C H sing 1.09 N N
70 C2F H2F C H sing 1.09 N N
71 C2F H2FA C H sing 1.09 N N
72 C2F H2FB C H sing 1.09 N N
73 C2G C2H C C sing 1.51 N N
74 C2H H2H C H sing 1.09 N N
75 C2H H2HA C H sing 1.09 N N
76 C2H H2HB C H sing 1.09 N N
77 C3B C3A C C sing 1.42 N N
78 C3A O3A C O doub 1.22 N N
79 C3B C3C C C doub 1.36 E N
80 C3B H3B C H sing 1.08 N N
81 O3B C3J O C doub 1.22 N N
82 C3D C3C C C sing 1.41 N N
83 C3C H3C C H sing 1.08 N N
84 C3E C3D C C doub 1.36 N N
85 C3D H3D C H sing 1.08 E N
86 C3F C3E C C sing 1.41 N N
87 C3E H3E C H sing 1.08 N N
88 C3G C3F C C doub 1.36 N N
89 C3F H3F C H sing 1.08 E N
90 C3H C3G C C sing 1.41 N N
91 C3G H3G C H sing 1.08 N N
92 C3I C3H C C doub 1.36 N N
93 C3H H3H C H sing 1.08 E N
94 C3J C3I C C sing 1.42 N N
95 C3I H3I C H sing 1.08 N N