Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B3B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 35


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O8 O O8 N N N 0 -3.305 -2.537 0.234
2 C7 C C7 N N N 0 -3.115 -1.345 0.111
3 C5 C C5 N Y N 0 -4.254 -0.425 0.038
4 C6 C C6 N Y N 0 -4.041 0.972 0.004
5 C1 C C1 N Y N 0 -5.138 1.833 -0.066
6 C2 C C2 N Y N 0 -6.417 1.319 -0.101
7 C3 C C3 N Y N 0 -6.627 -0.052 -0.068
8 C4 C C4 N Y N 0 -5.561 -0.922 -0.005
9 C9 C C9 N N N 0 -2.676 1.514 0.044
10 N10 N N10 N N N 0 -1.655 0.709 0.001
11 N11 N N11 N N N 0 -0.353 1.225 0.039
12 C12 C C12 N Y N 0 0.734 0.368 -0.006
13 N13 N N13 N Y N 0 1.979 0.733 0.022
14 C14 C C14 N Y N 0 2.889 -0.229 -0.03
15 C15 C C15 N Y N 0 2.401 -1.48 -0.107
16 S16 S S16 N Y N 0 0.641 -1.388 -0.103
17 C17 C C17 N Y N 0 4.344 0.055 -0.006
18 C18 C C18 N Y N 0 5.262 -0.992 -0.07
19 C19 C C19 N Y N 0 6.615 -0.722 -0.048
20 C20 C C20 N Y N 0 7.061 0.585 0.038
21 C21 C C21 N Y N 0 6.155 1.628 0.101
22 C22 C C22 N Y N 0 4.799 1.37 0.074
23 H1 H H1 N N N 0 -2.107 -0.962 0.059
24 H2 H H2 N N N 0 -4.985 2.902 -0.091
25 H3 H H3 N N N 0 -7.262 1.989 -0.155
26 H4 H H4 N N N 0 -7.635 -0.44 -0.097
27 H5 H H5 N N N 0 -5.734 -1.988 0.02
28 H6 H H6 N N N 0 -2.52 2.581 0.108
29 H7 H H7 N N N 0 -0.213 2.183 0.096
30 H8 H H8 N N N 0 2.987 -2.386 -0.157
31 H9 H H9 N N N 0 4.915 -2.013 -0.136
32 H10 H H10 N N N 0 7.327 -1.533 -0.097
33 H11 H H11 N N N 0 8.121 0.791 0.055
34 H12 H H12 N N N 0 6.509 2.646 0.168
35 H13 H H13 N N N 0 4.093 2.185 0.119