Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X8H

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 -0.497 -3.612 0.14
2 C03 C C2 N Y N 0 -2.161 -2.032 0.343
3 C04 C C3 N Y N 0 -1.357 -1.051 -0.206
4 C05 C C4 N Y N 0 -0.067 -1.374 -0.596
5 C06 C C5 N Y N 0 0.37 -2.683 -0.419
6 C07 C C6 N N N 0 -0.036 -5.032 0.344
7 C09 C C7 N N N 0 0.841 -0.332 -1.198
8 C10 C C8 S N N 0 1.631 0.36 -0.086
9 C11 C C9 N N N 0 2.587 -0.626 0.562
10 C12 C C10 N N N 0 3.832 0.194 0.885
11 C13 C C11 R N N 0 3.956 1.133 -0.341
12 C14 C C12 N N N 0 2.492 1.491 -0.678
13 C16 C C13 N N N 0 -1.877 0.353 -0.378
14 C22 C C14 N N N 0 4.738 2.371 0.016
15 N02 N N1 N Y N 0 -1.717 -3.264 0.498
16 N15 N N2 N N N 0 2.391 -1.869 0.789
17 O08 O O1 N N N 0 1.627 -3.046 -0.786
18 O17 O O2 N N N 0 -3.222 0.424 0.097
19 O19 O O3 N N N 0 -3.427 2.867 1.048
20 O20 O O4 N N N 0 -4.124 2.313 -1.313
21 O21 O O5 N N N 0 -5.594 1.463 0.554
22 O23 O O6 N N N 0 6.012 2.265 0.423
23 O24 O O7 N N N 0 4.217 3.458 -0.063
24 P18 P P1 N N N 0 -4.093 1.778 0.066
25 H1 H H1 N N N 0 -3.167 -1.786 0.649
26 H2 H H2 N N N 0 -0.27 -5.621 -0.543
27 H3 H H3 N N N 0 1.041 -5.044 0.514
28 H4 H H4 N N N 0 -0.545 -5.458 1.208
29 H5 H H5 N N N 0 1.533 -0.811 -1.892
30 H6 H H6 N N Y 0 0.243 0.406 -1.733
31 H7 H H7 N N N 0 0.947 0.763 0.661
32 H8 H H8 N N N 0 3.689 0.77 1.799
33 H9 H H9 N N N 0 4.707 -0.451 0.97
34 H10 H H10 N N N 0 4.424 0.613 -1.177
35 H11 H H11 N N N 0 2.356 1.54 -1.758
36 H12 H H12 N N N 0 2.224 2.444 -0.221
37 H13 H H13 N N N 0 -1.253 1.043 0.19
38 H14 H H14 N N N 0 -1.85 0.623 -1.434
39 H15 H H15 N N N 0 3.084 -2.4 1.214
40 H16 H H16 N N N 0 1.694 -3.359 -1.699
41 H17 H H17 N N N 0 -3.373 2.583 1.971
42 H18 H H18 N N N 0 -6.176 2.235 0.561
43 H19 H H19 N N N 0 6.473 3.087 0.641