Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : FRY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 42


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 0.24 -12.927 5.244
2 C7 C C7 N N N 0 -0.871 -8.94 3.809
3 C6 C C6 N N N 0 -1.582 -9.616 4.734
4 C5 C C5 N N N 0 -0.885 -11.977 5.558
5 C4 C C4 N N N 0 -0.866 -10.831 4.888
6 C3 C C3 N N N 0 0.254 -10.707 3.966
7 C10 C C10 N N N 0 -1.264 -7.599 3.339
8 C12 C C12 S N N 0 -0.571 -5.795 1.779
9 C16 C C16 N Y N 0 0.055 -3.389 0.436
10 C14 C C14 N N N 0 0.159 -4.723 2.565
11 C15 C C15 N Y N 0 0.056 -3.412 1.841
12 C18 C C18 N N N 0 -0.089 -5.869 0.334
13 O19 O O19 N N N 0 0.013 -6.952 -0.246
14 C20 C C20 N N N 0 0.351 -4.588 -1.73
15 O22 O O22 N N N 0 -2.047 -4.56 -2.062
16 C21 C C21 N N N 0 -0.927 -4.259 -2.465
17 N23 N N23 N N N 0 -0.692 -3.626 -3.667
18 N17 N N17 N N N 0 0.097 -4.625 -0.292
19 C24 C C24 N Y N 0 0.04 -2.144 -0.213
20 C25 C C25 N Y N 0 0.017 -0.954 0.519
21 C26 C C26 N Y N 0 0.02 -0.988 1.909
22 C27 C C27 N Y N 0 0.047 -2.213 2.569
23 N11 N N11 N N N 0 -0.397 -7.087 2.39
24 O13 O O13 N N N 0 -2.267 -7.051 3.783
25 N8 N N8 N N N 0 0.265 -9.582 3.314
26 S2 S S2 N N N 0 1.278 -12.082 3.971
27 CL CL CL N N N 0 1.194 -13.259 6.702
28 H1 H H1 N N N 0 -0.141 -13.871 4.844
29 H6 H H6 N N N 0 -2.48 -9.316 5.243
30 H5 H H5 N N N 0 -1.658 -12.225 6.275
31 H12 H H12 N N N 0 -1.65 -5.597 1.757
32 H141 H 1H14 N N N 0 1.221 -4.974 2.684
33 H142 H 2H14 N N N 0 -0.274 -4.647 3.57
34 H201 H 1H20 N N N 0 1.117 -3.831 -1.919
35 H202 H 2H20 N N N 0 0.712 -5.571 -2.045
36 H231 H 1H23 N N N 0 -1.459 -3.358 -4.274
37 H232 H 2H23 N N N 0 0.244 -3.404 -3.99
38 H24 H H24 N N N 0 0.04 -2.075 -1.298
39 H25 H H25 N N N 0 0.001 0.0 0.0
40 H26 H H26 N N N 0 0.01 -0.063 2.477
41 H27 H H27 N N N 0 0.067 -2.23 3.656
42 HN11 H HN11 N N N 0 0.403 -7.652 2.109