Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 105

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 B B B N N N 0 -0.817 0.424 4.468
2 O1 O O1 N N N 0 -1.558 0.261 5.669
3 O2 O O2 N N N 0 0.591 0.594 4.521
4 C3 C C3 N N N 0 -1.556 0.418 3.083
5 N4 N N4 N N N 0 -0.579 0.603 2.008
6 C5 C C5 N N N 0 0.012 -0.468 1.443
7 O6 O O6 N N N 0 -0.265 -1.588 1.826
8 C7 C C7 N Y N 0 0.994 -0.282 0.362
9 N11 N N11 N Y N 0 1.939 0.009 -1.62
10 O10 O O10 N Y N 0 2.816 -0.036 -0.791
11 C8 C C8 N Y N 0 2.362 -0.207 0.451
12 C12 C C12 N Y N 0 0.751 -0.122 -1.087
13 C9 C C9 N N N 0 3.189 -0.306 1.707
14 C13 C C13 N Y N 0 -0.556 -0.118 -1.786
15 C14 C C14 N Y N 0 -0.618 0.161 -3.151
16 CL1 CL CL1 N N N 0 0.835 0.497 -4.038
17 C15 C C15 N Y N 0 -1.839 0.157 -3.799
18 C16 C C16 N Y N 0 -2.997 -0.11 -3.093
19 C17 C C17 N Y N 0 -2.941 -0.381 -1.737
20 C18 C C18 N Y N 0 -1.727 -0.387 -1.081
21 H1 H H1 N N N 0 -0.922 0.295 6.396
22 H2 H H2 N N N 0 0.895 0.687 3.608
23 H31 H 1H3 N N N 0 -2.284 1.228 3.056
24 H32 H 2H3 N N N 0 -2.068 -0.534 2.949
25 H4 H H4 N N N 0 -0.357 1.496 1.702
26 H91 H 1H9 N N N 0 4.245 -0.215 1.454
27 H92 H 2H9 N N N 0 2.908 0.495 2.391
28 H93 H 3H9 N N N 0 3.011 -1.269 2.184
29 H15 H H15 N N N 0 -1.889 0.368 -4.857
30 H16 H H16 N N N 0 -3.95 -0.107 -3.602
31 H17 H H17 N N N 0 -3.849 -0.59 -1.191
32 H18 H H18 N N N 0 -1.685 -0.6 -0.023