Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ASW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 47


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 1.829 3.333 2.969
2 C11 C C11 N Y N 0 1.854 -0.197 -0.503
3 C12 C C12 N Y N 0 0.527 -0.061 -0.142
4 C13 C C13 N Y N 0 0.163 0.857 0.832
5 C15 C C15 N Y N 0 -2.156 0.298 0.517
6 C16 C C16 N Y N 0 -2.894 0.908 -0.517
7 C17 C C17 N Y N 0 -2.656 2.244 -0.882
8 C18 C C18 N Y N 0 -3.383 2.809 -1.884
9 C19 C C19 N Y N 0 -4.363 2.078 -2.556
10 C20 C C20 N Y N 0 -4.62 0.784 -2.231
11 C21 C C21 N Y N 0 -3.89 0.161 -1.199
12 C23 C C23 N Y N 0 -3.462 -1.724 0.101
13 C24 C C24 N Y N 0 -3.746 -3.067 0.422
14 C25 C C25 N Y N 0 -3.053 -3.686 1.416
15 C26 C C26 N Y N 0 -2.06 -3.014 2.128
16 C27 C C27 N Y N 0 -1.756 -1.718 1.848
17 C28 C C28 N Y N 0 -2.446 -1.047 0.825
18 C3 C C3 N Y N 0 1.136 1.65 1.439
19 C4 C C4 N Y N 0 2.464 1.513 1.075
20 C5 C C5 N Y N 0 2.825 0.589 0.104
21 C8 C C8 N N N 0 4.276 -2.287 -0.068
22 H1 H H1 N N N 0 1.41 4.013 3.711
23 H10 H H10 N N N 0 -0.226 -0.672 -0.616
24 H11 H H11 N N N 0 -1.427 1.571 1.939
25 H12 H H12 N N N 0 -1.901 2.821 -0.368
26 H13 H H13 N N N 0 -3.199 3.836 -2.163
27 H14 H H14 N N N 0 -4.926 2.549 -3.348
28 H15 H H15 N N N 0 -5.383 0.234 -2.762
29 H16 H H16 N N N 0 -4.512 -3.603 -0.118
30 H17 H H17 N N N 0 -3.276 -4.715 1.657
31 H18 H H18 N N N 0 -1.529 -3.529 2.916
32 H19 H H19 N N N 0 -0.985 -1.209 2.408
33 H2 H H2 N N N 0 2.55 2.672 3.449
34 H3 H H3 N N N 0 2.327 3.909 2.189
35 H4 H H4 N N N 0 3.22 2.124 1.547
36 H5 H H5 N N N 0 4.814 1.125 -0.0070
37 H6 H H6 N N N 0 3.196 -2.378 0.047
38 H7 H H7 N N N 0 4.672 -3.198 -0.517
39 H8 H H8 N N N 0 4.734 -2.136 0.91
40 H9 H H9 N N N 0 2.137 -0.915 -1.259
41 N14 N N14 N N N 0 -1.182 0.991 1.202
42 N22 N N22 N Y N 0 -4.133 -1.107 -0.87
43 N6 N N6 N N N 0 4.168 0.449 -0.264
44 O10 O O10 N N N 0 6.059 -0.706 -1.269
45 O2 O O2 N N N 0 0.78 2.554 2.39
46 O9 O O9 N N N 0 3.806 -0.868 -2.278
47 S7 S S7 N N N 0 4.654 -0.871 -1.138