Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 083

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -5.382 0.352 -2.679
2 C10 C C10 N Y N 0 3.688 1.182 -0.122
3 C11 C C11 N Y N 0 3.281 2.494 -0.359
4 C12 C C12 N Y N 0 4.227 3.504 -0.348
5 C13 C C13 N Y N 0 5.552 3.168 -0.111
6 C14 C C14 N Y N 0 5.887 1.845 0.112
7 C15 C C15 N Y N 0 3.112 -1.205 0.105
8 C16 C C16 N Y N 0 2.17 -2.25 0.105
9 C17 C C17 N Y N 0 2.536 -3.585 0.333
10 C18 C C18 N Y N 0 1.577 -4.554 0.319
11 C19 C C19 N Y N 0 0.242 -4.238 0.084
12 C2 C C2 N Y N 0 -4.816 0.561 -1.298
13 C20 C C20 N Y N 0 -0.147 -2.949 -0.141
14 C21 C C21 N Y N 0 0.81 -1.93 -0.134
15 C3 C C3 N Y N 0 -5.63 0.999 -0.263
16 C4 C C4 N Y N 0 -5.067 1.178 0.993
17 C5 C C5 N N N 0 -5.913 1.653 2.147
18 C6 C C6 N Y N 0 -3.032 0.508 0.155
19 C7 C C7 N N N 0 -1.594 0.237 0.386
20 C8 C C8 N Y N 0 0.456 -0.531 -0.369
21 C9 C C9 N Y N 0 2.686 0.089 -0.125
22 H11 H H11 N N N 0 2.241 2.719 -0.544
23 H11C H H11C N N N 0 -5.297 1.277 -3.25
24 H12 H H12 N N N 0 3.941 4.531 -0.523
25 H12C H H12C N N N 0 -4.828 -0.439 -3.183
26 H13 H H13 N N N 0 6.315 3.933 -0.099
27 H13C H H13C N N N 0 -6.432 0.069 -2.602
28 H14 H H14 N N N 0 6.918 1.58 0.297
29 H15 H H15 N N N 0 4.156 -1.412 0.285
30 H17 H H17 N N N 0 3.569 -3.843 0.516
31 H18 H H18 N N N 0 1.858 -5.582 0.494
32 H19 H H19 N N N 0 -0.498 -5.025 0.079
33 H20 H H20 N N N 0 -1.186 -2.718 -0.322
34 H21N H H21N N N N 0 -1.592 0.797 2.347
35 H22N H H22N N N N 0 -0.132 0.166 1.806
36 H3 H H3 N N N 0 -6.678 1.197 -0.432
37 H51C H H51C N N N 0 -5.894 2.743 2.186
38 H52C H H52C N N N 0 -6.939 1.312 2.01
39 H53C H H53C N N N 0 -5.516 1.249 3.078
40 N1 N N1 N Y N 0 -3.782 0.927 1.165
41 N2 N N2 N N N 0 -1.053 0.419 1.635
42 N3 N N3 N N N 0 -0.836 -0.178 -0.603
43 N4 N N4 N Y N 0 1.409 0.389 -0.355
44 N5 N N5 N Y N 0 4.966 0.903 0.101
45 N6 N N6 N Y N 0 -3.536 0.333 -1.059