Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 96O

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 36


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C13 S N N 0 2.605 -0.078 0.877
2 C5 C C15 R N N 0 1.684 1.048 0.4
3 C01 C C01 N N N 0 -4.93 -1.316 1.638
4 N02 N N02 N Y N 0 -4.206 -0.519 0.644
5 N03 N N03 N Y N 0 -4.7 0.443 -0.055
6 N04 N N04 N Y N 0 -3.799 0.933 -0.832
7 C05 C C05 N Y N 0 -2.654 0.269 -0.642
8 C06 C C06 N N N 0 -1.343 0.513 -1.343
9 O1 O O07 N N N 0 -0.364 -0.408 -0.857
10 C1 C C08 S N N 0 0.923 -0.261 -1.46
11 C2 C C09 S N N 0 1.813 -1.439 -1.058
12 O2 O O10 N N N 0 3.083 -1.321 -1.703
13 C3 C C11 S N N 0 2.008 -1.426 0.461
14 O3 O O12 N N N 0 2.898 -2.479 0.838
15 O4 O O14 N N N 0 2.725 -0.028 2.3
16 C6 C C16 N N N 0 2.303 2.4 0.759
17 O6 O O17 N N N 0 1.391 3.447 0.419
18 O5 O O18 N N N 0 1.52 0.96 -1.017
19 C19 C C19 N Y N 0 -2.904 -0.662 0.308
20 H4 H H1 N N N 0 3.589 0.04 0.424
21 H5 H H2 N N N 0 0.712 0.953 0.885
22 H3A H H3 N N N 0 -4.846 -0.841 2.615
23 H4A H H4 N N N 0 -5.98 -1.383 1.355
24 H5A H H5 N N N 0 -4.501 -2.317 1.683
25 H6 H H6 N N N 0 -1.473 0.372 -2.416
26 H7 H H7 N N N 0 -1.011 1.533 -1.148
27 H1 H H8 N N N 0 0.816 -0.24 -2.545
28 H2 H H9 N N N 0 1.338 -2.373 -1.357
29 HO2 H H10 N N Y 0 3.034 -1.317 -2.669
30 H3 H H11 N N N 0 1.046 -1.567 0.955
31 HO3 H H12 N N Y 0 2.582 -3.363 0.605
32 HO4 H H13 N N Y 0 3.293 -0.717 2.672
33 H61 H H14 N N N 0 2.511 2.432 1.828
34 H62 H H15 N N N 0 3.232 2.533 0.204
35 HO6 H H16 N N Y 0 1.719 4.334 0.619
36 H17 H H17 N N N 0 -2.204 -1.378 0.715