Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : E85

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 Y N 0 0.635 -3.559 0.205
2 N3 N N2 N Y N 0 1.558 -2.508 0.166
3 C4 C C1 N Y N 0 0.931 -1.368 0.033
4 C5 C C2 N Y N 0 -0.499 -1.658 -0.021
5 C6 C C3 N Y N 0 -0.626 -3.056 0.093
6 C8 C C4 N Y N 0 -2.911 -2.828 -0.054
7 N12 N N3 N N N 0 -1.596 0.489 -0.266
8 C15 C C5 N Y N 0 -3.867 0.848 0.467
9 C17 C C6 N Y N 0 -5.027 1.607 0.453
10 C20 C C7 N Y N 0 -3.997 3.159 -1.06
11 C22 C C8 N Y N 0 -2.838 2.408 -1.045
12 C28 C C9 N Y N 0 2.912 0.015 -0.092
13 O24 O O1 N N N 0 -6.102 1.22 1.189
14 C18 C C10 N Y N 0 -5.089 2.763 -0.311
15 C14 C C11 N Y N 0 -2.77 1.249 -0.282
16 C11 C C12 N Y N 0 -1.666 -0.887 -0.152
17 N10 N N4 N Y N 0 -2.838 -1.513 -0.162
18 N7 N N5 N Y N 0 -1.847 -3.591 0.071
19 N26 N N6 N N N 0 1.521 -0.104 -0.042
20 C36 C C13 N Y N 0 3.672 -0.959 -0.728
21 C34 C C14 N Y N 0 5.046 -0.834 -0.78
22 C32 C C15 N Y N 0 5.666 0.258 -0.201
23 C31 C C16 N Y N 0 4.913 1.229 0.432
24 C29 C C17 N Y N 0 3.538 1.111 0.488
25 C38 C C18 N N N 0 5.593 2.417 1.063
26 N41 N N7 N N N 0 5.706 3.498 0.075
27 H1 H H1 N N N 0 0.858 -4.498 0.295
28 H2 H H2 N N N 0 -3.884 -3.296 -0.067
29 H3 H H3 N N N 0 -0.734 0.927 -0.336
30 H4 H H4 N N N 0 -3.817 -0.052 1.061
31 H5 H H5 N N N 0 -4.048 4.06 -1.654
32 H6 H H6 N N N 0 -1.986 2.719 -1.631
33 H7 H H7 N N N 0 -6.113 1.577 2.088
34 H8 H H8 N N N 0 -5.993 3.355 -0.322
35 H9 H H9 N N N 0 0.965 0.691 -0.06
36 H10 H H10 N N N 0 3.189 -1.812 -1.18
37 H11 H H11 N N N 0 5.638 -1.591 -1.274
38 H12 H H12 N N N 0 6.741 0.353 -0.244
39 H13 H H13 N N N 0 2.95 1.873 0.979
40 H14 H H14 N N N 0 5.006 2.763 1.914
41 H15 H H15 N N N 0 6.588 2.129 1.401
42 H16 H H16 N N N 0 6.159 4.306 0.473
43 H17 H H17 N N N 0 6.191 3.183 -0.752