Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BDF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 24


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 0.442 0.733 2.191
2 C2 C C2 R N N 0 0.031 -0.052 0.944
3 C3 C C3 S N N 0 0.91 0.369 -0.234
4 C4 C C4 R N N 0 0.515 -0.448 -1.469
5 C5 C C5 R N N 0 -0.993 -0.295 -1.694
6 C6 C C6 N N N 0 -1.73 -0.665 -0.405
7 O1 O O1 N N N 0 -0.376 0.338 3.294
8 O2 O O2 N N Y 0 0.199 -1.45 1.187
9 O3 O O3 N N N 0 2.282 0.124 0.08
10 O4 O O4 N N N 0 1.221 0.033 -2.614
11 O5 O O5 N N N 0 -1.292 1.057 -2.044
12 O6 O O6 N N N 0 -1.337 0.215 0.645
13 H11 H H11 N N N 0 0.314 1.8 2.007
14 H12 H H12 N N N 0 1.487 0.527 2.422
15 H3 H H3 N N N 0 0.766 1.43 -0.438
16 H4 H H4 N N N 0 0.755 -1.499 -1.306
17 H5 H H5 N N N 0 -1.311 -0.959 -2.499
18 H61 H H61 N N N 0 -1.484 -1.69 -0.128
19 H62 H H62 N N N 0 -2.805 -0.582 -0.565
20 HO1 H HO1 N N Y 0 -0.085 0.855 4.057
21 HO2 H HO2 N N Y 0 -0.368 -1.674 1.936
22 HO5 H HO5 N N Y 0 -2.249 1.108 -2.17
23 HO3 H HO3 N N Y 0 2.799 0.396 -0.69
24 HO4 H HO4 N N Y 0 0.932 -0.5 -3.366