Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TOY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C11 R N N 0 -1.142 -0.196 -2.574
2 O11 O O11 N N N 0 0.028 -0.989 -2.371
3 C21 C C21 R N N 0 -2.181 -1.012 -3.346
4 N21 N N21 N N N 0 -2.551 -2.2 -2.565
5 C31 C C31 N N N 0 -1.58 -1.445 -4.688
6 C41 C C41 S N N 0 -1.058 -0.2 -5.414
7 O41 O O41 N N N 0 -0.362 -0.593 -6.598
8 C51 C C51 R N N 0 -0.102 0.554 -4.486
9 O51 O O51 N N N 0 -0.799 0.973 -3.315
10 C61 C C61 N N N 0 0.451 1.78 -5.215
11 N61 N N61 N N N 0 1.371 2.503 -4.326
12 C12 C C12 R N N 0 2.642 -0.465 0.915
13 N12 N N12 N N N 0 3.431 0.201 1.959
14 C22 C C22 N N N 0 3.1 0.022 -0.46
15 C32 C C32 S N N 0 2.277 -0.671 -1.547
16 N32 N N32 N N N 0 2.717 -0.203 -2.868
17 C42 C C42 R N N 0 0.796 -0.341 -1.356
18 C52 C C52 S N N 0 0.338 -0.829 0.019
19 O52 O O52 N N N 0 -1.045 -0.52 0.198
20 C62 C C62 S N N 0 1.16 -0.134 1.107
21 O62 O O62 N N N 0 0.732 -0.59 2.392
22 C13 C C13 S N N 0 0.951 0.485 3.306
23 C23 C C23 R N N 0 0.886 -0.043 4.74
24 O23 O O23 N N N 0 1.91 -1.021 4.936
25 C33 C C33 S N N 0 -0.484 -0.683 4.976
26 N33 N N33 N N N 0 -0.621 -1.059 6.389
27 C43 C C43 S N N 0 -1.569 0.334 4.607
28 O43 O O43 N N N 0 -2.854 -0.286 4.677
29 C53 C C53 R N N 0 -1.32 0.835 3.183
30 O53 O O53 N N N 0 -0.05 1.482 3.114
31 C63 C C63 N N N 0 -2.418 1.828 2.795
32 O63 O O63 N N N 0 -2.245 2.221 1.432
33 H11 H H11 N N N 0 -1.554 0.094 -1.608
34 H21 H H21 N N N 0 -3.067 -0.402 -3.523
35 HN21 H 1HN2 N N N 0 -3.234 -2.704 -3.111
36 HN22 H 2HN2 N N N 0 -1.729 -2.784 -2.518
37 H311 H 1H31 N N N 0 -0.758 -2.139 -4.514
38 H312 H 2H31 N N N 0 -2.347 -1.926 -5.294
39 H41 H H41 N N N 0 -1.895 0.444 -5.68
40 H41O H OH41 N N N 0 -0.997 -1.071 -7.15
41 H51 H H51 N N N 0 0.72 -0.101 -4.203
42 H611 H 1H61 N N N 0 -0.37 2.436 -5.499
43 H612 H 2H61 N N N 0 0.986 1.46 -6.109
44 HN61 H 1HN6 N N N 0 1.71 3.299 -4.846
45 HN62 H 2HN6 N N N 0 0.814 2.867 -3.568
46 H12 H H12 N N N 0 2.785 -1.543 0.984
47 HN11 H 1HN1 N N N 0 4.396 -0.043 1.794
48 HN12 H 2HN1 N N N 0 3.352 1.193 1.794
49 H221 H 1H22 N N N 0 4.155 -0.212 -0.596
50 H222 H 2H22 N N N 0 2.956 1.101 -0.529
51 H32 H H32 N N N 0 2.421 -1.75 -1.478
52 HN1 H 1HN N N N 0 3.723 -0.277 -2.882
53 HN2 H 2HN N N N 0 2.368 -0.867 -3.542
54 H42 H H42 N N N 0 0.653 0.737 -1.425
55 H52 H H52 N N N 0 0.481 -1.907 0.088
56 H52O H OH52 N N N 0 -1.325 -0.955 1.015
57 H62 H H62 N N N 0 1.017 0.943 1.037
58 H13 H H13 N N N 0 1.934 0.921 3.124
59 H23 H H23 N N N 0 1.029 0.779 5.44
60 H23O H OH23 N N N 0 2.754 -0.577 4.778
61 H33 H H33 N N N 0 -0.587 -1.57 4.35
62 HN31 H 1HN3 N N N 0 0.11 -1.726 6.584
63 HN32 H 2HN3 N N N 0 -0.411 -0.233 6.93
64 H43 H H43 N N N 0 -1.532 1.174 5.301
65 H43O H OH43 N N N 0 -3.504 0.386 4.432
66 H53 H H53 N N N 0 -1.335 -0.008 2.494
67 H631 H 1H63 N N N 0 -3.393 1.356 2.916
68 H632 H 2H63 N N N 0 -2.357 2.707 3.437
69 H63O H OH63 N N N 0 -2.905 2.903 1.252