Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PU1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CL CL CL N N N 0 -1.843 -2.085 -2.09
2 C13 C C13 N Y N 0 -0.568 -0.945 -2.385
3 C15 C C15 N Y N 0 -0.584 -0.17 -3.536
4 O3 O O3 N N N 0 -1.598 -0.304 -4.433
5 C20 C C20 N N N 0 -1.168 -1.262 -5.403
6 C17 C C17 N Y N 0 0.434 0.745 -3.769
7 O2 O O2 N N N 0 0.422 1.507 -4.896
8 C19 C C19 N N N 0 -0.311 2.693 -4.586
9 C16 C C16 N Y N 0 1.47 0.875 -2.852
10 O1 O O1 N N N 0 2.471 1.767 -3.077
11 C18 C C18 N N N 0 3.368 1.672 -1.969
12 C14 C C14 N Y N 0 1.479 0.097 -1.704
13 N3 N N3 N Y N 0 -1.531 -1.038 1.119
14 C12 C C12 N Y N 0 0.462 -0.809 -1.473
15 C6 C C6 N N N 0 0.476 -1.652 -0.224
16 C5 C C5 N Y N 0 -0.258 -0.931 0.876
17 C2 C C2 N Y N 0 -1.856 -0.254 2.176
18 C3 C C3 N Y N 0 -3.046 0.024 2.869
19 N5 N N5 N N N 0 -4.24 -0.567 2.493
20 C1 C C1 N Y N 0 -0.676 0.375 2.603
21 N1 N N1 N Y N 0 -0.725 1.207 3.639
22 C4 C C4 N Y N 0 -1.864 1.44 4.26
23 N2 N N2 N Y N 0 -3.0 0.869 3.894
24 N4 N N4 N Y N 0 0.315 -0.074 1.769
25 C7 C C7 N N N 0 1.731 0.297 1.826
26 C8 C C8 N N N 0 2.478 -0.673 2.742
27 C9 C C9 N N N 0 3.956 -0.284 2.802
28 C10 C C10 N N N 0 4.674 -1.219 3.683
29 C11 C C11 N N N 0 5.247 -1.964 4.386
30 F F F N N N 0 -1.872 2.291 5.309
31 H201 H 1H20 N N N 0 -1.94 -1.38 -6.163
32 H202 H 2H20 N N N 0 -0.247 -0.916 -5.871
33 H203 H 3H20 N N N 0 -0.99 -2.219 -4.913
34 H191 H 1H19 N N N 0 -0.315 3.355 -5.452
35 H192 H 2H19 N N N 0 -1.336 2.429 -4.326
36 H193 H 3H19 N N N 0 0.157 3.2 -3.743
37 H181 H 1H18 N N N 0 4.191 2.373 -2.105
38 H182 H 2H18 N N N 0 2.835 1.912 -1.049
39 H183 H 3H18 N N N 0 3.761 0.657 -1.906
40 H14 H H14 N N N 0 2.282 0.201 -0.989
41 H6C1 H 1H6C N N N 0 -0.013 -2.605 -0.423
42 H6C2 H 2H6C N N N 0 1.506 -1.83 0.082
43 H5N1 H 1H5N N N N 0 -5.055 -0.366 2.979
44 H5N2 H 2H5N N N N 0 -4.261 -1.182 1.744
45 H7C1 H 1H7C N N N 0 2.159 0.254 0.824
46 H7C2 H 2H7C N N N 0 1.825 1.311 2.217
47 H8C1 H 1H8C N N N 0 2.05 -0.629 3.744
48 H8C2 H 2H8C N N N 0 2.384 -1.686 2.351
49 H9C1 H 1H9C N N N 0 4.384 -0.328 1.8
50 H9C2 H 2H9C N N N 0 4.05 0.728 3.193
51 H11 H H11 N N N 0 5.759 -2.631 5.015