Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C9J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 37


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C13 N N N 0 5.754 -3.005 0.0050
2 C1 C C14 N N N 0 6.079 -0.591 -0.01
3 C10 C C7 N Y N 0 -4.505 1.287 0.011
4 C11 C C8 N Y N 0 -5.739 0.668 0.01
5 C12 C C9 N Y N 0 -5.822 -0.716 0.0090
6 C13 C C10 N Y N 0 -4.662 -1.481 0.0070
7 C14 C C11 N Y N 0 -3.426 -0.862 0.0020
8 C15 C C12 N Y N 0 3.32 -0.115 0.0
9 C16 C C15 N N N 0 3.875 -1.477 0.0040
10 C2 C C16 N N N 0 5.658 0.686 -0.014
11 C3 C C17 N Y N 0 4.224 0.969 -0.0050
12 C4 C C1 N Y N 0 3.726 2.28 -0.0090
13 C5 C C2 N Y N 0 2.37 2.454 -0.0060
14 C6 C C3 N Y N 0 1.526 1.335 0.0
15 C7 C C4 N Y N 0 0.056 1.535 0.0020
16 C8 C C5 N Y N 0 -0.88 0.545 0.0080
17 C9 C C6 N Y N 0 -3.345 0.524 0.0090
18 F F F1 N N N 0 -4.742 -2.83 0.0060
19 H1 H H1 N N N 0 4.395 3.128 -0.018
20 H10 H H10 N N N 0 -7.39 -1.5 -0.875
21 H11 H H11 N N N 0 7.14 -0.789 -0.016
22 H12 H H12 N N N 0 6.373 1.495 -0.022
23 H2 H H2 N N N 0 1.951 3.45 -0.0090
24 H3 H H3 N N N 0 -0.694 -0.518 0.011
25 H4 H H4 N N N 0 -4.441 2.365 0.013
26 H5 H H5 N N N 0 -6.641 1.263 0.011
27 H6 H H6 N N N 0 -2.524 -1.456 0.0010
28 H7 H H7 N N N 0 6.843 -2.963 -0.0020
29 H8 H H8 N N N 0 5.417 -3.528 0.9
30 H9 H H9 N N N 0 5.405 -3.538 -0.88
31 N N N5 N N N 0 5.212 -1.644 0.0010
32 N1 N N1 N Y N 0 -2.091 1.153 0.0090
33 N2 N N2 N Y N 0 -1.847 2.534 0.0040
34 N3 N N3 N Y N 0 -0.572 2.72 0.0010
35 N4 N N4 N Y N 0 2.011 0.105 0.0020
36 O O O1 N N N 0 -7.038 -1.325 0.0080
37 O1 O O2 N N N 0 3.134 -2.444 0.0090