Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4R3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 33


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 1.14 0.254 0.003
2 N3 N N2 N Y N 0 -3.696 -1.574 -0.005
3 C4 C C1 N Y N 0 3.308 1.464 0.008
4 C5 C C2 N Y N 0 2.483 0.317 0.004
5 C6 C C3 N Y N 0 3.087 -0.948 0.001
6 C7 C C4 N Y N 0 0.589 -0.913 -0.001
7 C8 C C5 N N N 0 6.739 -0.063 0.008
8 C10 C C6 N Y N 0 -3.076 -0.344 -0.001
9 C13 C C7 N Y N 0 -5.039 -1.384 -0.005
10 C1 C C8 N Y N 0 4.468 -1.071 0.002
11 C2 C C9 N Y N 0 5.273 0.067 0.006
12 C3 C C10 N Y N 0 4.676 1.341 0.009
13 S1 S S1 N Y N 0 1.817 -2.17 -0.003
14 O1 O O1 N N N 0 7.307 -1.285 0.005
15 O2 O O2 N N N 0 7.437 0.932 0.011
16 O3 O O3 N N N 0 5.454 2.453 0.013
17 N2 N N3 N N N 0 -0.774 -1.141 -0.002
18 C9 C C11 N N N 0 -1.632 -0.101 0.0
19 O4 O O4 N N N 0 -1.206 1.039 0.003
20 C11 C C12 N Y N 0 -4.066 0.62 0.0
21 C12 C C13 N Y N 0 -5.293 -0.053 0.002
22 C14 C C14 N N N 0 -6.079 -2.474 -0.014
23 CL1 CL CL1 N N N 0 -6.864 0.687 0.005
24 CL2 CL CL2 N N N 0 -3.831 2.34 0.005
25 H1 H H1 N N N 0 -3.247 -2.434 -0.01
26 H2 H H2 N N N 0 2.859 2.446 0.01
27 H3 H H3 N N N 0 4.92 -2.052 0.0
28 H4 H H4 N N N 0 8.273 -1.32 0.007
29 H5 H H5 N N N 0 5.681 2.777 -0.87
30 H6 H H6 N N N 0 -1.114 -2.05 -0.004
31 H7 H H7 N N N 0 -6.331 -2.744 1.012
32 H8 H H8 N N N 0 -6.973 -2.12 -0.527
33 H9 H H9 N N N 0 -5.685 -3.348 -0.533