Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QWX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C1 N Y N 0 3.859 -0.263 -0.709
2 C16 C C2 N Y N 0 4.465 -0.353 -3.03
3 C17 C C3 N Y N 0 3.883 -0.935 -1.92
4 C15 C C4 N Y N 0 5.025 0.906 -2.935
5 C13 C C5 N Y N 0 5.002 1.583 -1.725
6 C12 C C6 N Y N 0 4.418 0.996 -0.61
7 C11 C C7 N N N 0 4.265 1.514 0.804
8 C20 C C8 N Y N 0 -0.982 -0.125 0.581
9 C02 C C9 N Y N 0 -1.247 -2.42 -0.156
10 C03 C C10 N Y N 0 -0.415 -1.348 0.207
11 C04 C C11 N N N 0 1.048 -1.51 0.193
12 C06 C C12 R N N 0 3.296 -0.681 0.633
13 C07 C C13 R N N 0 3.947 0.269 1.658
14 C08 C C14 N N N 0 2.983 0.61 2.765
15 C21 C C15 N Y N 0 -2.339 0.024 0.598
16 C22 C C16 N Y N 0 -3.169 -1.038 0.245
17 C24 C C17 N N N 0 -5.097 0.311 -0.078
18 C26 C C18 N N N 0 -7.028 1.732 -0.515
19 C27 C C19 N N N 0 -8.194 1.713 -1.505
20 C28 C C20 N N N 0 -8.448 2.026 -0.029
21 C30 C C21 N Y N 0 -2.625 -2.258 -0.129
22 N01 N N1 N N N 0 -0.695 -3.638 -0.529
23 N05 N N2 N N N 0 1.84 -0.519 0.646
24 N23 N N3 N N N 0 -4.554 -0.873 0.267
25 N25 N N4 N N N 0 -6.437 0.445 -0.141
26 O09 O O1 N N N 0 1.902 0.072 2.811
27 O10 O O2 N N N 0 3.324 1.511 3.699
28 O14 O O3 N N N 0 5.554 2.822 -1.63
29 O19 O O4 N N N 0 1.541 -2.539 -0.227
30 O29 O O5 N N N 0 -4.379 1.259 -0.331
31 H161 H H1 N N N 0 4.482 -0.882 -3.971
32 H171 H H2 N N N 0 3.446 -1.92 -1.997
33 H151 H H3 N N N 0 5.481 1.362 -3.802
34 H112 H H4 N N N 0 5.193 1.977 1.14
35 H111 H H5 N N N 0 3.444 2.23 0.858
36 H201 H H6 N N N 0 -0.345 0.701 0.861
37 H061 H H7 N N N 0 3.563 -1.715 0.849
38 H071 H H8 N N N 0 4.861 -0.169 2.06
39 H211 H H9 N N N 0 -2.771 0.97 0.888
40 H261 H H10 N N N 0 -6.332 2.57 -0.573
41 H272 H H11 N N N 0 -8.267 2.538 -2.214
42 H271 H H12 N N N 0 -8.522 0.743 -1.878
43 H282 H H13 N N N 0 -8.944 1.261 0.57
44 H281 H H14 N N N 0 -8.688 3.057 0.233
45 H301 H H15 N N N 0 -3.272 -3.077 -0.407
46 H011 H H16 N N N 0 -1.27 -4.401 -0.697
47 H012 H H17 N N N 0 0.267 -3.727 -0.622
48 H051 H H18 N N N 0 1.447 0.302 0.982
49 H231 H H19 N N N 0 -5.126 -1.611 0.53
50 H251 H H20 N N N 0 -7.01 -0.311 0.062
51 H1 H H21 N N N 0 2.673 1.697 4.389
52 H141 H H22 N N N 0 4.937 3.542 -1.82