Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K66

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 29


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 -0.942 -1.409 -0.012
2 C2 C C2 N Y N 0 0.45 -1.408 -0.141
3 C3 C C3 N Y N 0 1.133 -0.186 -0.248
4 C4 C C4 N Y N 0 0.428 1.008 -0.225
5 C5 C C5 N Y N 0 -0.948 0.991 -0.097
6 C6 C C6 N Y N 0 -1.629 -0.214 0.003
7 BR13 BR BR13 N N N 0 1.346 2.655 -0.369
8 BR15 BR BR15 N N N 0 -1.909 2.619 -0.066
9 BR17 BR BR17 N N N 0 -3.512 -0.216 0.178
10 BR19 BR BR19 N N N 0 -1.88 -3.045 0.134
11 N21 N N21 N Y N 0 1.383 -2.395 -0.191
12 N23 N N23 N Y N 0 2.477 -0.505 -0.361
13 C25 C C25 N Y N 0 2.575 -1.867 -0.321
14 N28 N N28 N N N 0 3.753 -2.58 -0.403
15 C30 C C30 N N N 0 3.904 -3.482 0.746
16 C32 C C32 N N N 0 3.831 -3.322 -1.669
17 C34 C C34 N N N 0 3.587 0.441 -0.498
18 C36 C C36 N N N 0 4.013 0.917 0.867
19 O38 O O38 N N N 0 5.02 1.796 0.988
20 O40 O O40 N N N 0 3.447 0.507 1.853
21 H30 H H30 N N N 0 3.071 -4.185 0.768
22 H30A H H30A N N N 0 4.841 -4.032 0.655
23 H30B H H30B N N N 0 3.912 -2.899 1.667
24 H32 H H32 N N N 0 3.874 -2.618 -2.5
25 H32A H H32A N N N 0 4.727 -3.942 -1.671
26 H32B H H32B N N N 0 2.95 -3.955 -1.774
27 H34 H H34 N N N 0 4.426 -0.051 -0.989
28 H34A H H34A N N N 0 3.265 1.294 -1.096
29 HO38 H HO38 N N N 0 5.257 2.072 1.884