Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D3Q

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 41


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C1 N Y N 0 2.867 -3.316 -0.121
2 C13 C C2 N Y N 0 2.49 -2.542 -1.203
3 C14 C C3 N Y N 0 1.764 -1.383 -1.004
4 C15 C C4 R N N 0 1.311 1.429 -0.229
5 C01 C C5 N N N 0 -5.48 -0.355 0.568
6 C03 C C6 N Y N 0 -3.128 -0.13 0.309
7 C04 C C7 N Y N 0 -3.325 -0.238 -1.059
8 C05 C C8 N Y N 0 -2.244 -0.183 -1.918
9 C06 C C9 N Y N 0 -0.967 -0.019 -1.415
10 C07 C C10 N Y N 0 -0.768 0.089 -0.051
11 C08 C C11 R N N 0 0.626 0.268 0.495
12 C09 C C12 N Y N 0 1.416 -0.996 0.277
13 C10 C C13 N Y N 0 1.793 -1.77 1.359
14 C11 C C14 N Y N 0 2.52 -2.929 1.16
15 C20 C C18 N Y N 0 -1.845 0.04 0.812
16 C17 C C15 N N N 0 2.991 3.049 0.319
17 C18 C C16 N N N 0 1.727 3.795 -0.159
18 C19 C C17 N N N 0 0.596 2.764 0.095
19 N16 N N1 N N N 0 2.69 1.607 0.275
20 O02 O O1 N N N 0 -4.189 -0.184 1.156
21 H1 H H1 N N N 0 3.43 -4.224 -0.277
22 H2 H H2 N N N 0 2.761 -2.844 -2.204
23 H3 H H3 N N N 0 1.469 -0.778 -1.849
24 H4 H H4 N N N 0 1.32 1.255 -1.305
25 H5 H H5 N N N 0 -6.236 -0.382 1.353
26 H6 H H6 N N N 0 -5.686 0.477 -0.105
27 H7 H H7 N N N 0 -5.504 -1.29 0.009
28 H8 H H8 N N N 0 -4.322 -0.366 -1.453
29 H9 H H9 N N N 0 -2.397 -0.267 -2.984
30 H10 H H10 N N N 0 -0.124 0.024 -2.088
31 H11 H H11 N N N 0 0.573 0.485 1.561
32 H12 H H12 N N N 0 1.521 -1.469 2.36
33 H13 H H13 N N N 0 2.815 -3.533 2.005
34 H14 H H14 N N N 0 3.827 3.274 -0.344
35 H15 H H15 N N N 0 3.235 3.349 1.338
36 H16 H H16 N N N 0 1.566 4.697 0.431
37 H17 H H17 N N N 0 1.8 4.038 -1.219
38 H18 H H18 N N N 0 -0.243 2.931 -0.579
39 H19 H H19 N N N 0 0.271 2.79 1.135
40 H20 H H20 N N N 0 -1.689 0.125 1.877
41 H21 H H21 N N N 0 2.799 1.187 1.186