Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BKY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


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 5.414 0.988 -0.223
2 C2 C C2 N Y N 0 5.188 0.193 0.902
3 C3 C C3 N Y N 0 4.212 -0.781 0.87
4 C4 C C4 N Y N 0 3.457 -0.971 -0.275
5 C5 C C5 N Y N 0 3.676 -0.186 -1.393
6 C6 C C6 N Y N 0 4.648 0.792 -1.374
7 C7 C C7 N N N 0 2.392 -2.037 -0.303
8 C8 C C8 N Y N 0 0.082 -2.315 0.171
9 C9 C C9 N Y N 0 0.22 -3.642 -0.205
10 C10 C C10 N Y N 0 -0.869 -4.49 -0.169
11 C11 C C11 N Y N 0 -2.11 -4.025 0.241
12 C12 C C12 N Y N 0 -2.27 -2.712 0.619
13 C13 C C13 N Y N 0 -1.173 -1.839 0.594
14 C C C14 N N N 0 6.453 2.037 -0.193
15 O O O1 N N N 0 6.644 2.731 -1.172
16 C14 C C15 N N N 0 -1.333 -0.442 0.999
17 C15 C C16 N N N 0 -2.444 0.267 0.602
18 C16 C C17 N N N 0 -2.831 1.618 1.049
19 C17 C C18 N Y N 0 -4.095 1.975 0.36
20 C18 C C19 N Y N 0 -4.478 0.909 -0.472
21 C19 C C20 N N N 0 -3.473 -0.176 -0.356
22 C20 C C21 N Y N 0 -5.642 1.01 -1.227
23 C21 C C22 N Y N 0 -6.416 2.156 -1.158
24 C22 C C23 N Y N 0 -6.039 3.204 -0.34
25 C23 C C24 N Y N 0 -4.884 3.12 0.418
26 O1 O O2 N N N 0 7.19 2.224 0.919
27 O2 O O3 N N N 0 1.151 -1.482 0.137
28 O3 O O4 N N N 0 -2.224 2.313 1.84
29 O4 O O5 N N N 0 -3.496 -1.24 -0.944
30 H1 H H1 N N N 0 5.776 0.339 1.796
31 H2 H H2 N N N 0 4.036 -1.398 1.739
32 H3 H H3 N N N 0 3.083 -0.34 -2.283
33 H4 H H4 N N N 0 4.815 1.407 -2.246
34 H5 H H5 N N N 0 2.281 -2.413 -1.32
35 H6 H H6 N N N 0 2.679 -2.855 0.358
36 H7 H H7 N N N 0 1.182 -4.014 -0.526
37 H8 H H8 N N N 0 -0.755 -5.523 -0.464
38 H9 H H9 N N N 0 -2.955 -4.698 0.263
39 H10 H H10 N N N 0 -3.238 -2.355 0.937
40 H11 H H11 N N N 0 -0.579 0.033 1.609
41 H12 H H12 N N N 0 -5.942 0.194 -1.868
42 H13 H H13 N N N 0 -7.319 2.23 -1.746
43 H14 H H14 N N N 0 -6.649 4.094 -0.293
44 H15 H H15 N N N 0 -4.595 3.943 1.055
45 H16 H H16 N N N 0 7.858 2.923 0.891