Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 48K

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 S S S N N N 0 3.702 1.885 -0.304
2 C1 C C1 N N N 0 6.723 -2.568 -0.387
3 O1 O O1 N N N 0 4.338 1.736 -1.566
4 C2 C C2 N N N 0 6.905 -3.165 1.953
5 N2 N N2 N N N 0 4.502 0.883 0.744
6 O2 O O2 N N N 0 3.571 3.135 0.358
7 C3 C C3 N N N 0 5.819 -1.099 1.312
8 N3 N N3 N N N 0 -1.788 -0.258 -0.932
9 O3 O O3 N N N 0 -3.833 -1.844 -2.092
10 C4 C C4 N N N 0 4.769 -0.508 0.368
11 N4 N N4 N N N 0 -5.826 -1.518 -1.026
12 C5 C C5 N Y N 0 2.07 1.247 -0.491
13 C6 C C6 N Y N 0 1.8 0.323 -1.482
14 C7 C C7 N Y N 0 0.522 -0.179 -1.632
15 C8 C C8 N Y N 0 -0.493 0.247 -0.784
16 C12 C C12 N Y N 0 -6.297 -0.753 0.034
17 C9 C C9 N N N 0 -2.781 0.16 -0.1
18 C10 C C10 N N N 0 -4.046 -0.333 -0.245
19 C11 C C11 N N N 0 -4.514 -1.312 -1.234
20 C13 C C13 N Y N 0 -7.562 -0.638 0.603
21 C14 C C14 N Y N 0 -7.765 0.211 1.671
22 C15 C C15 N Y N 0 -6.719 0.957 2.188
23 C16 C C16 N Y N 0 -5.458 0.857 1.636
24 C17 C C17 N Y N 0 -5.243 0.003 0.561
25 C18 C C18 N Y N 0 -0.218 1.176 0.212
26 C19 C C19 N Y N 0 1.063 1.669 0.359
27 HN4 H HN4 N N N 0 -6.374 -2.121 -1.551
28 H1 H H1 N N N 0 6.846 -3.613 -0.672
29 H1A H H1A N N N 0 7.699 -2.084 -0.348
30 H1B H H1B N N N 0 6.096 -2.063 -1.121
31 H2 H H2 N N N 0 6.379 -3.156 2.907
32 H2A H H2A N N N 0 7.856 -2.643 2.057
33 H2B H H2B N N N 0 7.089 -4.196 1.649
34 H3 H H3 N N N 0 6.739 -0.519 1.24
35 H3A H H3A N N N 0 5.447 -1.064 2.336
36 H4 H H4 N N N 0 3.849 -1.087 0.441
37 H4A H H4A N N N 0 5.141 -0.542 -0.656
38 H7 H H7 N N N 0 0.311 -0.9 -2.407
39 HN2 H HN2 N N N 0 4.794 1.217 1.607
40 H6 H H6 N N N 0 2.589 -0.008 -2.141
41 HN3 H HN3 N N N 0 -1.979 -0.907 -1.628
42 H9 H H9 N N N 0 -2.569 0.882 0.674
43 H13 H H13 N N N 0 -8.385 -1.215 0.208
44 H14 H H14 N N N 0 -8.75 0.296 2.107
45 H15 H H15 N N N 0 -6.891 1.62 3.024
46 H16 H H16 N N N 0 -4.642 1.438 2.039
47 H18 H H18 N N N 0 -1.005 1.509 0.873
48 H19 H H19 N N N 0 1.278 2.389 1.135
49 N1 N N1 N N N 0 6.087 -2.493 0.935