Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JJE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N N N 0 0.54 4.287 -0.676
2 C8 C C2 S N N 0 -0.259 3.133 -0.068
3 C13 C C3 N Y N 0 -1.379 0.678 0.102
4 C15 C C4 N Y N 0 0.785 -0.383 0.17
5 C20 C C5 N Y N 0 6.377 -0.197 1.093
6 C21 C C6 N Y N 0 7.161 -1.116 0.421
7 C22 C C7 N Y N 0 6.57 -2.129 -0.311
8 CL CL CL1 N N N 0 4.453 -3.501 -1.293
9 C23 C C8 N Y N 0 5.193 -2.227 -0.374
10 C19 C C9 N Y N 0 4.998 -0.291 1.039
11 F25 F F1 N N N 0 4.232 0.605 1.7
12 C18 C C10 N Y N 0 4.401 -1.306 0.299
13 N17 N N1 N N N 0 3.005 -1.401 0.238
14 C1 C C11 N N N 0 2.254 -0.283 0.194
15 O2 O O1 N N N 0 2.79 0.809 0.176
16 C16 C C12 N Y N 0 0.001 0.779 0.125
17 O14 O O2 N N N 0 0.594 2.0 0.103
18 C3 C C13 N N N 0 -0.818 3.56 1.291
19 F5 F F2 N N N 0 1.051 3.896 -1.919
20 F6 F F3 N N N 0 -0.295 5.396 -0.843
21 F4 F F4 N N N 0 1.597 4.623 0.177
22 C9 C C14 N Y N 0 0.167 -1.638 0.192
23 C11 C C15 N Y N 0 -1.207 -1.727 0.169
24 F10 F F5 N N N 0 -1.804 -2.94 0.189
25 C12 C C16 N Y N 0 -1.985 -0.571 0.123
26 N26 N N2 N N N 0 -3.378 -0.669 0.1
27 N30 N N3 N N N 0 -4.221 -0.79 1.213
28 C27 C C17 N N N 0 -4.162 -0.66 -0.998
29 O31 O O3 N N N 0 -3.785 -0.564 -2.152
30 N28 N N4 N N N 0 -5.439 -0.776 -0.583
31 C32 C C18 N N N 0 -6.622 -0.809 -1.446
32 C35 C C19 N N N 0 -6.931 -2.257 -1.832
33 C29 C C20 N N N 0 -5.442 -0.854 0.789
34 C34 C C21 N N N 0 -6.667 -0.989 1.657
35 O33 O O4 N N N 0 -6.274 -1.035 3.03
36 H1 H H1 N N N 0 -1.082 2.871 -0.733
37 H2 H H2 N N N 0 -1.985 1.571 0.071
38 H3 H H3 N N N 0 6.841 0.594 1.664
39 H4 H H4 N N N 0 8.237 -1.042 0.468
40 H5 H H5 N N N 0 7.186 -2.845 -0.835
41 H6 H H6 N N N 0 2.579 -2.273 0.226
42 H7 H H7 N N N 0 -1.469 4.425 1.161
43 H8 H H8 N N N 0 -1.387 2.738 1.725
44 H9 H H9 N N N 0 0.005 3.822 1.956
45 H10 H H10 N N N 0 0.766 -2.536 0.226
46 H11 H H11 N N N 0 -7.473 -0.386 -0.913
47 H12 H H12 N N N 0 -6.431 -0.225 -2.347
48 H13 H H13 N N N 0 -6.08 -2.68 -2.366
49 H14 H H14 N N N 0 -7.122 -2.841 -0.932
50 H15 H H15 N N N 0 -7.811 -2.282 -2.475
51 H16 H H16 N N N 0 -7.323 -0.133 1.495
52 H17 H H17 N N N 0 -7.196 -1.906 1.399
53 H18 H H18 N N N 0 -7.013 -1.121 3.648