Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : R79

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C3A C C3A N N N 0 2.771 -0.964 -12.152
2 C2A C C2A N N N 0 2.508 0.015 -11.324
3 C1A C C1A N N N 0 1.226 0.008 -10.531
4 N1 N N1 S N N 0 1.538 0.008 -9.096
5 C1B C C1B N N N 0 0.253 0.0 -8.384
6 C2B C C2B N N N 0 0.505 0.0 -6.875
7 C3B C C3B N N N 0 -0.833 -0.007 -6.134
8 C4B C C4B N N N 0 -0.581 -0.008 -4.625
9 C5B C C5B N N N 0 -1.919 -0.016 -3.885
10 C6B C C6B N N N 0 -1.667 -0.017 -2.376
11 O O O N N N 0 -2.917 -0.024 -1.684
12 C6C C C6C N Y N 0 -2.631 -0.024 -0.355
13 C7C C C7C N Y N 0 -3.654 -0.025 0.577
14 C7P C C7P N Y N 0 -3.343 -0.032 1.92
15 S1C S S1C N Y N 0 -4.279 -0.039 3.425
16 N2C N N2C N Y N 0 -2.998 -0.035 4.554
17 C3C C C3C N Y N 0 -1.908 -0.028 3.834
18 C3P C C3P N Y N 0 -2.006 -0.026 2.379
19 C4C C C4C N Y N 0 -0.991 -0.019 1.399
20 C5C C C5C N Y N 0 -1.306 -0.019 0.076
21 C1D C C1D N Y N 0 -0.581 -0.024 4.491
22 C6D C C6D N Y N 0 -0.367 0.749 5.632
23 C5D C C5D N Y N 0 0.87 0.75 6.24
24 C4D C C4D N Y N 0 1.9 -0.015 5.721
25 C3D C C3D N Y N 0 1.694 -0.785 4.589
26 C2D C C2D N Y N 0 0.458 -0.797 3.976
27 BR27 BR BR27 N N N 0 3.594 -0.01 6.56
28 C1E C C1E N N N 0 2.176 1.298 -8.802
29 H3A1 H 1H3A N N N 0 3.69 -0.958 -12.72
30 H3A2 H 2H3A N N N 0 2.07 -1.777 -12.267
31 H2A H H2A N N N 0 3.209 0.829 -11.209
32 H1A1 H 1H1A N N N 0 0.651 -0.883 -10.778
33 H1A2 H 2H1A N N N 0 0.643 0.896 -10.776
34 H1B1 H 1H1B N N N 0 -0.317 0.888 -8.657
35 H1B2 H 2H1B N N N 0 -0.309 -0.891 -8.659
36 H2B1 H 1H2B N N N 0 1.076 -0.887 -6.603
37 H2B2 H 2H2B N N N 0 1.067 0.892 -6.6
38 H3B1 H 1H3B N N N 0 -1.404 0.88 -6.407
39 H3B2 H 2H3B N N N 0 -1.395 -0.899 -6.409
40 H4B1 H 1H4B N N N 0 -0.01 -0.896 -4.353
41 H4B2 H 2H4B N N N 0 -0.018 0.883 -4.35
42 H5B1 H 1H5B N N N 0 -2.49 0.871 -4.157
43 H5B2 H 2H5B N N N 0 -2.482 -0.908 -4.16
44 H6B1 H 1H6B N N N 0 -1.096 -0.904 -2.103
45 H6B2 H 2H6B N N N 0 -1.105 0.875 -2.101
46 H7C H H7C N N N 0 -4.685 -0.029 0.257
47 H4C H H4C N N N 0 0.045 -0.015 1.702
48 H5C H H5C N N N 0 -0.511 -0.014 -0.655
49 H6D H H6D N N N 0 -1.169 1.347 6.037
50 H5D H H5D N N N 0 1.037 1.348 7.123
51 H3D H H3D N N N 0 2.5 -1.381 4.188
52 H2D H H2D N N N 0 0.298 -1.399 3.093
53 H1F1 H 1H1F N N N 0 3.139 1.351 -9.31
54 H1F2 H 2H1F N N N 0 1.535 2.108 -9.15
55 H1F3 H 3H1F N N N 0 2.327 1.392 -7.726