Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1O

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -2.96 0.286 0.155
2 C2 C C2 N Y N 0 -2.643 1.448 -0.536
3 C3 C C3 N Y N 0 -2.072 -0.23 1.089
4 C4 C C4 N Y N 0 -0.873 0.413 1.33
5 C5 C C5 N Y N 0 -0.557 1.575 0.639
6 C6 C C6 N N N 0 -4.178 -2.727 0.547
7 C7 C C7 N Y N 0 -1.446 2.091 -0.296
8 C8 C C8 N N N 0 -4.696 -1.326 0.88
9 C9 C C9 N N N 0 -3.61 2.005 -1.549
10 C10 C C10 N Y N 0 5.907 -0.334 -1.061
11 C11 C C11 N Y N 0 5.856 -1.683 -0.764
12 C12 C C12 N N N 0 -4.34 0.855 -2.245
13 C13 C C13 N N N 0 -4.866 -0.113 -1.22
14 C14 C C14 N N N 0 -4.724 -3.729 1.566
15 C15 C C15 N N N 0 2.285 0.66 -0.675
16 C16 C C16 N Y N 0 3.544 -0.167 -0.708
17 C17 C C17 N Y N 0 3.494 -1.515 -0.405
18 C18 C C18 N Y N 0 4.751 0.424 -1.031
19 C19 C C19 N Y N 0 4.65 -2.274 -0.436
20 N1 N N1 N N N 0 0.657 2.226 0.883
21 N2 N N2 N N N 0 -4.174 -0.367 -0.096
22 O1 O O1 N N N 0 1.762 0.322 1.919
23 O2 O O2 N N N 0 -5.922 -0.677 -1.413
24 O3 O O3 N N N 0 3.059 2.323 1.262
25 S1 S S1 N N N 0 2.059 1.351 0.987
26 C20 C C20 N N N 0 7.115 -2.51 -0.797
27 H1 H H1 N N N 0 -2.318 -1.133 1.627
28 H2 H H2 N N N 0 -0.182 0.012 2.056
29 H3 H H3 N N N 0 -4.509 -3.008 -0.453
30 H4 H H4 N N N 0 -3.089 -2.729 0.583
31 H5 H H5 N N N 0 -1.201 2.995 -0.833
32 H6 H H6 N N N 0 -5.786 -1.324 0.844
33 H7 H H7 N N N 0 -4.366 -1.045 1.879
34 H8 H H8 N N N 0 -4.336 2.644 -1.046
35 H9 H H9 N N N 0 -3.064 2.589 -2.29
36 H10 H H10 N N N 0 6.85 0.128 -1.312
37 H11 H H11 N N N 0 -5.171 1.254 -2.827
38 H12 H H12 N N N 0 -3.649 0.337 -2.909
39 H13 H H13 N N N 0 -4.355 -4.726 1.328
40 H14 H H14 N N N 0 -4.393 -3.447 2.565
41 H15 H H15 N N N 0 -5.814 -3.726 1.53
42 H16 H H16 N N N 0 2.364 1.471 -1.399
43 H17 H H17 N N N 0 1.431 0.031 -0.926
44 H18 H H18 N N N 0 2.553 -1.975 -0.145
45 H19 H H19 N N N 0 4.792 1.479 -1.259
46 H20 H H20 N N N 0 4.61 -3.328 -0.205
47 H21 H H21 N N N 0 0.677 3.19 0.992
48 H22 H H22 N N N 0 7.584 -2.498 0.187
49 H23 H H23 N N N 0 6.869 -3.536 -1.069
50 H24 H H24 N N N 0 7.804 -2.094 -1.533