Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : EXP

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 32


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N Y N 0 3.71 -0.202 -0.544
2 C12 C C2 N N N 0 -0.412 -1.053 -0.55
3 C13 C C3 N Y N 0 -2.737 -0.141 -0.382
4 C14 C C4 N Y N 0 -4.061 -0.254 0.003
5 C15 C C5 N Y N 0 -1.853 -1.173 -0.126
6 C17 C C6 N N N 0 7.102 -0.13 -2.056
7 C18 C C7 N Y N 0 -3.615 -2.43 0.898
8 C19 C C8 N Y N 0 -4.5 -1.399 0.644
9 C20 C C9 N Y N 0 -2.291 -2.315 0.518
10 N1 N N1 N Y N 0 3.813 0.336 0.703
11 N3 N N2 N Y N 0 2.439 -0.536 -0.72
12 N4 N N3 N Y N 0 2.528 0.305 1.266
13 C5 C C10 N N N 0 4.992 0.779 1.187
14 C6 C C11 N Y N 0 1.733 -0.23 0.37
15 C7 C C12 N N N 0 6.206 0.655 0.285
16 N8 N N4 N N N 0 4.771 -0.336 -1.383
17 C9 C C13 N N N 0 5.967 0.041 -1.079
18 N10 N N5 N N N 0 0.366 -0.444 0.531
19 O11 O O1 N N N 0 5.078 1.256 2.294
20 BR BR BR1 N N N 0 -5.271 1.157 -0.346
21 H1 H H1 N N N 0 -0.015 -2.043 -0.772
22 H2 H H2 N N N 0 -0.347 -0.428 -1.441
23 H3 H H3 N N N 0 -2.396 0.75 -0.886
24 H4 H H4 N N N 0 7.568 -1.104 -1.906
25 H5 H H5 N N N 0 6.717 -0.065 -3.074
26 H6 H H6 N N N 0 7.841 0.655 -1.896
27 H7 H H7 N N N 0 -3.957 -3.322 1.402
28 H8 H H8 N N N 0 -5.534 -1.489 0.941
29 H9 H H9 N N N 0 -1.6 -3.121 0.717
30 H10 H H10 N N N 0 6.623 1.651 0.14
31 H11 H H11 N N N 0 6.952 0.053 0.803
32 H12 H H12 N N N 0 -0.07 -0.191 1.36