Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J91

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 C14 C C1 N N N 0 5.061 -0.607 -0.836
2 C11 C C2 N Y N 0 2.767 3.621 1.805
3 C10 C C3 N Y N 0 2.968 2.334 2.268
4 C12 C C4 N Y N 0 2.447 3.839 0.477
5 C13 C C5 N Y N 0 2.333 2.769 -0.392
6 C01 C C6 N Y N 0 2.64 -0.824 -0.283
7 C02 C C7 N Y N 0 3.928 -1.376 -0.289
8 C03 C C8 N Y N 0 4.133 -2.659 0.226
9 C04 C C9 N Y N 0 3.073 -3.376 0.736
10 C05 C C10 N Y N 0 1.799 -2.832 0.742
11 C06 C C11 N Y N 0 1.579 -1.559 0.241
12 C08 C C12 N Y N 0 2.541 1.475 0.071
13 C09 C C13 N Y N 0 2.85 1.26 1.406
14 C18 C C14 N N N 0 -0.786 -1.822 0.186
15 C20 C C15 N N N 0 -2.136 -1.245 0.097
16 C21 C C16 N N N 0 -2.315 0.154 -0.053
17 C23 C C17 N N N 0 -4.648 -0.136 -0.072
18 C24 C C18 N N N 0 -4.526 -1.481 0.066
19 C25 C C19 N N N 0 -3.262 -2.064 0.154
20 C27 C C20 N N N 0 -6.022 0.476 -0.163
21 F28 F F1 N N N 0 -6.988 -0.533 -0.084
22 F29 F F2 N N N 0 -6.202 1.378 0.891
23 F30 F F3 N N N 0 -6.152 1.15 -1.382
24 F31 F F4 N N N 0 2.02 2.981 -1.689
25 N17 N N1 N N N 0 0.289 -1.013 0.257
26 N22 N N2 N N N 0 -3.558 0.665 -0.132
27 O07 O O1 N N N 0 2.429 0.421 -0.78
28 O15 O O2 N N N 0 4.879 0.508 -1.282
29 O16 O O3 N N N 0 6.299 -1.138 -0.835
30 O19 O O4 N N N 0 -0.64 -3.03 0.196
31 O26 O O5 N N N 0 -1.346 0.892 -0.109
32 H1 H H1 N N N 0 2.856 4.457 2.482
33 H2 H H2 N N N 0 3.218 2.168 3.306
34 H3 H H3 N N N 0 2.286 4.844 0.119
35 H4 H H4 N N N 0 5.124 -3.09 0.223
36 H5 H H5 N N N 0 3.235 -4.367 1.132
37 H6 H H6 N N N 0 0.974 -3.402 1.144
38 H7 H H7 N N N 0 3.012 0.256 1.768
39 H8 H H8 N N N 0 -5.41 -2.101 0.108
40 H10 H H10 N N N 0 -3.158 -3.134 0.262
41 H11 H H11 N N N 0 0.17 -0.052 0.319
42 H12 H H12 N N N 0 7.01 -0.597 -1.204
43 H9 H H9 N N N 0 -3.675 1.623 -0.235