Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1JE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 39


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.488 0.791 0.319
2 C2 C C2 N Y N 0 2.678 1.502 0.45
3 C3 C C3 N Y N 0 3.885 0.841 0.369
4 C4 C C4 N Y N 0 3.927 -0.53 0.157
5 C5 C C5 N Y N 0 2.772 -1.248 0.025
6 C6 C C6 N Y N 0 1.536 -0.6 0.104
7 N7 N N7 N Y N 0 0.159 1.156 0.356
8 C8 C C8 N Y N 0 -0.629 0.057 0.177
9 C9 C C9 N Y N 0 0.148 -1.034 0.015
10 C10 C C10 R N N 0 -2.138 -0.0070 0.146
11 O11 O O11 N N N 0 -2.52 -1.268 -0.418
12 C12 C C12 N N N 0 -1.889 -2.401 0.185
13 C13 C C13 N N N 0 -0.401 -2.42 -0.205
14 CL1 CL CL1 N N N 0 2.641 3.217 0.714
15 CL2 CL CL2 N N N 0 2.84 -2.962 -0.241
16 C16 C C16 N N N 0 -2.686 1.132 -0.716
17 C17 C C17 N N N 0 -2.156 0.999 -2.12
18 O18 O O18 N N N 0 -1.505 0.029 -2.431
19 O19 O O19 N N N 0 -2.407 1.957 -3.026
20 C20 C C20 N N N 0 -2.69 0.11 1.569
21 C21 C C21 N N N 0 -4.218 0.034 1.532
22 C22 C C22 N N N 0 -4.762 0.02 2.961
23 H1 H H1 N N N 0 4.806 1.396 0.472
24 H2 H H2 N N N 0 4.881 -1.033 0.095
25 H3 H H3 N N N 0 -0.168 2.059 0.491
26 H4 H H4 N N N 0 -1.984 -2.336 1.269
27 H5 H H5 N N N 0 -2.368 -3.314 -0.168
28 H6 H H6 N N N 0 -0.29 -2.7 -1.253
29 H7 H H7 N N N 0 0.13 -3.133 0.427
30 H8 H H8 N N N 0 -3.775 1.084 -0.733
31 H9 H H9 N N N 0 -2.372 2.088 -0.298
32 H10 H H10 N N N 0 -2.046 1.827 -3.914
33 H11 H H11 N N N 0 -2.3 -0.706 2.178
34 H12 H H12 N N N 0 -2.384 1.063 2.0
35 H13 H H13 N N N 0 -4.612 0.9 1.001
36 H14 H H14 N N N 0 -4.523 -0.877 1.018
37 H15 H H15 N N N 0 -4.368 -0.846 3.492
38 H16 H H16 N N N 0 -4.457 0.931 3.475
39 H17 H H17 N N N 0 -5.851 -0.034 2.935