Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 80C

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -5.825 -2.736 1.246
2 C3 C C2 N Y N 0 -4.461 -1.084 0.215
3 C4 C C3 N Y N 0 -3.566 -1.255 1.263
4 C5 C C4 N Y N 0 -2.401 -0.519 1.305
5 C6 C C5 N Y N 0 -2.122 0.399 0.293
6 C7 C C6 N Y N 0 -3.022 0.569 -0.759
7 C11 C C7 N Y N 0 0.354 0.556 0.225
8 C12 C C8 N Y N 0 1.531 1.311 0.26
9 C15 C C9 N Y N 0 -0.931 2.588 0.486
10 C18 C C10 N Y N 0 3.773 2.91 0.337
11 C19 C C11 N Y N 0 3.937 1.521 0.195
12 C21 C C12 N Y N 0 4.615 -0.529 -0.029
13 N22 N N1 N Y N 0 3.255 -0.581 0.01
14 C23 C C13 N N N 0 2.43 -1.788 -0.076
15 C24 C C14 N N N 0 2.564 -2.401 -1.473
16 C27 C C15 N N N 0 2.077 -4.088 0.831
17 O2 O O1 N N N 0 -5.609 -1.811 0.178
18 CL8 CL CL1 N N N 0 -2.679 1.71 -2.021
19 C9 C C16 N Y N 0 -4.189 -0.168 -0.791
20 C10 C C17 N Y N 0 -0.87 1.193 0.335
21 C13 C C18 N Y N 0 1.462 2.719 0.408
22 C14 C C19 N Y N 0 0.205 3.337 0.516
23 F16 F F1 N N N 0 -2.134 3.195 0.592
24 N17 N N2 N Y N 0 2.586 3.449 0.436
25 N20 N N3 N Y N 0 5.013 0.706 0.074
26 C25 C C20 N N N 0 1.749 -3.695 -1.538
27 N26 N N4 N N N 0 2.24 -4.635 -0.522
28 C28 C C21 N N N 0 2.902 -2.806 0.967
29 C29 C C22 N Y N 0 2.801 0.703 0.152
30 H1 H H1 N N N 0 -5.85 -2.198 2.193
31 H2 H H2 N N N 0 -6.775 -3.249 1.094
32 H3 H H3 N N N 0 -5.016 -3.466 1.264
33 H4 H H4 N N N 0 -3.783 -1.966 2.047
34 H5 H H5 N N N 0 -1.706 -0.652 2.12
35 H6 H H6 N N N 0 0.4 -0.517 0.108
36 H7 H H7 N N N 0 4.647 3.545 0.366
37 H8 H H8 N N N 0 5.265 -1.385 -0.13
38 H9 H H9 N N N 0 1.388 -1.531 0.111
39 H10 H H10 N N N 0 2.19 -1.697 -2.216
40 H11 H H11 N N N 0 3.613 -2.62 -1.675
41 H12 H H12 N N N 0 1.026 -3.863 1.008
42 H13 H H13 N N N 0 2.421 -4.819 1.562
43 H14 H H14 N N N 0 -4.889 -0.034 -1.603
44 H15 H H15 N N N 0 0.141 4.409 0.629
45 H16 H H16 N N N 0 0.699 -3.472 -1.349
46 H17 H H17 N N N 0 1.854 -4.141 -2.526
47 H18 H H18 N N N 0 3.201 -4.887 -0.697
48 H20 H H20 N N N 0 3.956 -3.032 0.803
49 H21 H H21 N N N 0 2.769 -2.391 1.966