Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DU8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.982 4.515 0.704
2 O1 O O1 N N N 0 -1.854 0.392 0.54
3 C2 C C2 N Y N 0 3.464 2.746 0.706
4 C3 C C3 N Y N 0 2.395 1.877 0.433
5 C4 C C4 N Y N 0 1.11 2.427 0.301
6 C5 C C5 N Y N 0 1.027 0.235 0.017
7 C6 C C6 R N N 0 -1.519 1.2 -1.662
8 C7 C C7 S N N 0 -2.835 0.392 -1.616
9 O2 O O2 N N N 0 -1.715 2.439 -2.347
10 C10 C C8 N N N 0 -3.735 -1.125 0.189
11 C11 C C9 N N N 0 1.954 -2.334 -0.156
12 C12 C C10 N N N 0 1.661 -3.818 -0.385
13 C13 C C11 N N N 0 2.943 -4.604 -0.283
14 C8 C C12 R N N 0 -3.137 0.251 -0.108
15 C9 C C13 R N N 0 -1.181 1.451 -0.175
16 N1 N N1 N Y N 0 3.209 4.044 0.831
17 N2 N N2 N Y N 0 0.95 3.738 0.448
18 N3 N N3 N Y N 0 0.266 1.372 0.039
19 N4 N N4 N Y N 0 2.282 0.538 0.245
20 N5 N N5 N N N 0 4.754 2.26 0.846
21 O3 O O3 N N N 0 -3.884 1.107 -2.272
22 N6 N N6 N N N 0 -4.054 -1.222 1.616
23 N7 N N7 N N N 1 -5.112 -1.41 1.944
24 N8 N N8 N N N -1 -6.171 -1.597 2.272
25 O4 O O4 N N N 0 2.929 -5.936 -0.449
26 O5 O O5 N N N 0 3.984 -4.036 -0.051
27 S1 S S1 N N N 0 0.414 -1.39 -0.279
28 H1 H H1 N N N 0 1.818 5.576 0.818
29 H2 H H2 N N N 0 -0.731 0.619 -2.142
30 H3 H H3 N N N 0 -2.698 -0.587 -2.074
31 H4 H H4 N N N 0 -1.96 2.339 -3.277
32 H5 H H5 N N N 0 -4.644 -1.261 -0.396
33 H6 H H6 N N N 0 -3.014 -1.899 -0.075
34 H10 H H10 N N N 0 1.23 -3.955 -1.376
35 H7 H H7 N N N 0 2.386 -2.197 0.835
36 H8 H H8 N N N 0 2.657 -1.982 -0.911
37 H9 H H9 N N N 0 0.958 -4.171 0.37
38 H11 H H11 N N N 0 -3.816 1.038 0.22
39 H12 H H12 N N N 0 -1.56 2.423 0.141
40 H13 H H13 N N N 0 4.927 1.31 0.756
41 H14 H H14 N N N 0 5.484 2.87 1.035
42 H16 H H16 N N N 0 -4.734 0.646 -2.273
43 H17 H H17 N N N 0 3.776 -6.397 -0.375