Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : OTQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 35


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 1.499 -0.806 0.28
2 C2 C C2 N Y N 0 2.537 0.045 -0.265
3 C3 C C3 N Y N 0 2.622 1.221 0.369
4 C4 C C4 N N N 0 3.615 2.312 0.017
5 C5 C C5 N N N 0 4.726 1.709 -0.848
6 C6 C C6 N N N 0 4.09 0.916 -1.993
7 C7 C C7 N N N 0 3.436 -0.346 -1.428
8 N1 N N1 N N N 0 -0.213 -0.896 1.975
9 N2 N N2 N N N 1 -4.252 1.469 -0.5
10 C8 C C8 N N N 0 1.125 -2.167 -0.159
11 C10 C C9 N Y N 0 -1.936 -1.206 0.293
12 N N N3 N N N 0 -0.016 -2.683 0.35
13 C C C10 N Y N 0 0.821 -0.216 1.337
14 O O O1 N N N 0 1.812 -2.794 -0.944
15 C11 C C11 N Y N 0 -2.355 -1.633 -0.912
16 C12 C C12 N Y N 0 -3.289 -0.682 -1.382
17 C13 C C13 N Y N 0 -3.386 0.269 -0.436
18 C9 C C14 S N N 0 -0.933 -1.903 1.175
19 O1 O O2 N Y N 0 -2.56 -0.051 0.574
20 O2 O O3 N N N -1 -4.959 1.658 -1.473
21 O3 O O4 N N N 0 -4.256 2.266 0.421
22 S S S1 N Y N 0 1.432 1.33 1.657
23 H1 H H1 N N N 0 3.109 3.102 -0.538
24 H2 H H2 N N N 0 4.046 2.723 0.93
25 H3 H H3 N N N 0 5.344 2.508 -1.256
26 H4 H H4 N N N 0 5.34 1.044 -0.241
27 H5 H H5 N N N 0 3.334 1.529 -2.485
28 H6 H H6 N N N 0 4.859 0.637 -2.714
29 H7 H H7 N N N 0 4.208 -1.032 -1.078
30 H8 H H8 N N N 0 2.841 -0.828 -2.203
31 H9 H H9 N N N 0 -0.449 -0.716 2.899
32 H10 H H10 N N N 0 -0.234 -3.609 0.16
33 H11 H H11 N N N 0 -2.038 -2.531 -1.423
34 H12 H H12 N N N 0 -3.823 -0.713 -2.32
35 H13 H H13 N N N 0 -1.46 -2.581 1.847