Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 35E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O01 O O1 N N N 0 -4.492 -4.76 0.362
2 C02 C C1 N N N 0 -5.002 -3.799 -0.564
3 C03 C C2 N N N 0 -4.75 -2.388 -0.026
4 C04 C C3 N N N 0 -5.405 -1.362 -0.955
5 C05 C C4 N N N 0 -5.099 0.048 -0.446
6 N06 N N1 N N N 0 -3.645 0.252 -0.409
7 C07 C C5 N N N 0 -3.0 -0.692 0.513
8 C08 C C6 N N N 0 -3.243 -2.124 0.032
9 C09 C C7 N Y N 0 -3.334 1.566 -0.076
10 N10 N N2 N Y N 0 -4.301 2.438 0.163
11 C11 C C8 N Y N 0 -4.002 3.689 0.48
12 C12 C C9 N Y N 0 -2.684 4.088 0.562
13 N13 N N3 N Y N 0 -1.709 3.224 0.325
14 C14 C C10 N Y N 0 -1.996 1.971 0.014
15 O15 O O2 N N N 0 -0.998 1.082 -0.224
16 C16 C C11 N N N 0 0.342 1.566 -0.114
17 C17 C C12 N N N 0 1.339 0.843 -1.037
18 N18 N N4 N N N 0 1.557 -0.087 0.092
19 C19 C C13 N N N 0 1.129 0.95 1.056
20 C20 C C14 N Y N 0 2.904 -0.38 0.243
21 C21 C C15 N Y N 0 3.306 -1.25 1.267
22 C22 C C16 N Y N 0 4.626 -1.547 1.426
23 C23 C C17 N Y N 0 5.554 -0.96 0.542
24 C24 C C18 N Y N 0 6.928 -1.223 0.65
25 C25 C C19 N Y N 0 7.797 -0.638 -0.222
26 C26 C C20 N Y N 0 7.338 0.218 -1.22
27 C27 C C21 N Y N 0 6.011 0.495 -1.352
28 C28 C C22 N Y N 0 5.086 -0.09 -0.472
29 N29 N N5 N Y N 0 3.776 0.161 -0.583
30 H1 H H1 N N N 0 -4.617 -5.678 0.085
31 H2 H H2 N N N 0 -4.498 -3.917 -1.524
32 H3 H H3 N N N 0 -6.073 -3.952 -0.695
33 H4 H H4 N N N 0 -5.176 -2.299 0.973
34 H5 H H5 N N N 0 -5.008 -1.479 -1.964
35 H6 H H6 N N N 0 -6.484 -1.518 -0.968
36 H7 H H7 N N N 0 -5.551 0.781 -1.113
37 H8 H H8 N N N 0 -5.508 0.169 0.557
38 H9 H H9 N N N 0 -1.928 -0.496 0.542
39 H10 H H10 N N N 0 -3.419 -0.568 1.511
40 H11 H H11 N N N 0 -2.777 -2.825 0.725
41 H12 H H12 N N N 0 -2.812 -2.253 -0.961
42 H13 H H13 N N N 0 -4.792 4.399 0.675
43 H14 H H14 N N N 0 -2.447 5.109 0.82
44 H15 H H15 N N N 0 0.406 2.653 -0.165
45 H16 H H16 N N N 0 0.876 0.378 -1.906
46 H17 H H17 N N N 0 2.216 1.44 -1.289
47 H18 H H18 N N N 0 1.944 1.578 1.416
48 H19 H H19 N N N 0 0.497 0.571 1.859
49 H20 H H20 N N N 0 2.57 -1.684 1.928
50 H21 H H21 N N N 0 4.952 -2.215 2.21
51 H22 H H22 N N N 0 7.296 -1.886 1.419
52 H23 H H23 N N N 0 8.854 -0.841 -0.139
53 H24 H H24 N N N 0 8.046 0.67 -1.9
54 H25 H H25 N N N 0 5.672 1.162 -2.131