Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : M50

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 30


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C11 N N N 0 -4.082 -1.199 1.957
2 C1 C C10 N Y N 0 -3.983 -0.61 0.574
3 C10 C C6 N Y N 0 4.26 0.847 -0.591
4 C11 C C7 N Y N 0 3.779 -0.378 -0.165
5 C12 C C9 N Y N 0 2.589 -0.447 0.538
6 C2 C C13 N Y N 0 -4.988 -0.801 -0.357
7 C3 C C12 N Y N 0 -2.852 0.661 -1.104
8 C4 C C1 N Y N 0 -2.874 0.148 0.191
9 C5 C C2 N N N 0 -0.559 0.472 0.616
10 C6 C C3 N N N 0 0.587 0.634 1.581
11 C7 C C4 N Y N 0 1.883 0.709 0.815
12 C8 C C5 N Y N 0 2.368 1.933 0.395
13 C9 C C8 N Y N 0 3.556 2.002 -0.308
14 CL CL CL1 N N N 0 4.663 -1.83 -0.52
15 H1 H H1 N N N 0 0.452 1.55 2.156
16 H10 H H10 N N N 0 -3.082 -1.414 2.334
17 H11 H H11 N N N 0 -2.013 1.251 -1.439
18 H12 H H12 N N N 0 -5.861 -1.382 -0.098
19 H2 H H2 N N N 0 0.614 -0.219 2.259
20 H3 H H3 N N N 0 1.817 2.836 0.615
21 H4 H H4 N N N 0 5.189 0.901 -1.14
22 H5 H H5 N N N 0 3.934 2.959 -0.637
23 H6 H H6 N N N 0 2.213 -1.403 0.87
24 H7 H H7 N N N 0 -1.999 0.483 2.026
25 H8 H H8 N N N 0 -4.575 -0.488 2.621
26 H9 H H9 N N N 0 -4.662 -2.121 1.919
27 N N N3 N Y N 0 -4.878 -0.274 -1.563
28 N1 N N1 N Y N 0 -3.861 0.422 -1.918
29 N2 N N2 N N N 0 -1.822 0.383 1.078
30 O O O1 N N N 0 -0.344 0.423 -0.577