Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QJF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.27 -0.691 0.258
2 C4 C C1 N Y N 0 3.737 -0.829 -1.085
3 C5 C C2 N Y N 0 3.493 -1.677 -2.176
4 C6 C C3 N Y N 0 1.245 -1.826 -1.636
5 C7 C C4 N Y N 0 1.375 -1.002 -0.539
6 C8 C C5 N N N 0 -0.821 -1.482 0.234
7 C10 C C6 N N N 0 -2.855 -2.423 1.297
8 C13 C C7 N Y N 0 -4.937 0.9 -0.109
9 C15 C C8 N Y N 0 -2.902 2.018 -0.687
10 C17 C C9 N Y N 0 -2.826 -0.076 0.483
11 CL CL CL1 N N N 0 -2.079 3.361 -1.417
12 C14 C C10 N Y N 0 -4.284 1.969 -0.689
13 C16 C C11 N Y N 0 -2.176 0.998 -0.101
14 C12 C C12 N Y N 0 -4.209 -0.13 0.478
15 O2 O O1 N N N 0 -4.887 -1.168 1.033
16 C11 C C13 N N N 0 -4.184 -2.014 1.944
17 C9 C C14 R N N 0 -2.0 -1.166 1.118
18 O1 O O2 N N N 0 -0.854 -2.448 -0.498
19 N N N2 N Y N 0 2.282 -2.131 -2.402
20 C18 C C15 N Y N 0 2.652 -0.478 -0.239
21 C3 C C16 N Y N 0 5.019 -0.327 -0.806
22 C2 C C17 N Y N 0 5.203 0.487 0.268
23 C19 C C18 N Y N 0 2.873 0.366 0.856
24 C1 C C19 N Y N 0 4.135 0.833 1.102
25 O O O3 N N N 0 4.352 1.648 2.167
26 C C C20 N N N 0 5.69 2.108 2.369
27 H1 H H1 N N N 0 0.29 0.092 0.83
28 H2 H H2 N N N 0 4.304 -1.957 -2.832
29 H3 H H3 N N N 0 0.274 -2.234 -1.876
30 H4 H H4 N N N 0 -2.335 -3.132 1.941
31 H5 H H5 N N N 0 -3.044 -2.88 0.325
32 H6 H H6 N N N 0 -6.016 0.863 -0.111
33 H7 H H7 N N N 0 -4.853 2.767 -1.144
34 H8 H H8 N N N 0 -1.097 1.038 -0.1
35 H9 H H9 N N N 0 -4.779 -2.903 2.154
36 H10 H H10 N N N 0 -3.99 -1.474 2.871
37 H11 H H11 N N N 0 -1.643 -0.828 2.092
38 H12 H H12 N N N 0 5.853 -0.587 -1.441
39 H13 H H13 N N N 0 6.19 0.872 0.481
40 H14 H H14 N N N 0 2.055 0.64 1.505
41 H15 H H15 N N N 0 5.725 2.748 3.251
42 H16 H H16 N N N 0 6.35 1.253 2.515
43 H17 H H17 N N N 0 6.016 2.674 1.496