Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A75

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


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 4.956 -1.287 -0.244
2 C2 C C2 N N N 0 3.745 -1.91 -0.936
3 C3 C C3 N Y N 0 2.555 -0.988 -0.856
4 C4 C C4 N Y N 0 2.483 0.047 0.042
5 C5 C C5 N N N 0 3.59 0.357 1.016
6 C6 C C6 N N N 0 4.531 -0.837 1.159
7 C7 C C7 N Y N 0 1.501 -1.218 -1.738
8 C8 C C8 N Y N 0 0.378 -0.423 -1.724
9 C9 C C9 N Y N 0 0.282 0.623 -0.814
10 C10 C C10 N Y N 0 1.342 0.865 0.069
11 C11 C C11 N N N 0 1.257 1.976 1.032
12 O12 O O12 N N N 0 0.725 1.771 2.253
13 O13 O O13 N N N 0 1.668 3.078 0.726
14 N14 N N14 N N N 0 -0.848 1.429 -0.79
15 S15 S S15 N N N 0 -2.339 0.774 -1.091
16 C16 C C16 N Y N 0 -2.623 -0.472 0.122
17 O17 O O17 N N N 0 -3.277 1.804 -0.814
18 O18 O O18 N N N 0 -2.215 0.085 -2.329
19 C19 C C19 N Y N 0 -2.235 -1.776 -0.122
20 C20 C C20 N Y N 0 -2.454 -2.752 0.833
21 C21 C C21 N Y N 0 -3.068 -2.425 2.027
22 C22 C C22 N Y N 0 -3.46 -1.122 2.269
23 C23 C C23 N Y N 0 -3.238 -0.145 1.317
24 H11 H 1H1 N N N 0 5.304 -0.427 -0.816
25 H12A H 2H1 N N N 0 5.754 -2.025 -0.167
26 H21A H 1H2 N N N 0 3.986 -2.096 -1.982
27 H22A H 2H2 N N N 0 3.5 -2.855 -0.451
28 H51 H 1H5 N N N 0 4.153 1.218 0.656
29 H52 H 2H5 N N N 0 3.157 0.592 1.988
30 H61 H 1H6 N N N 0 5.411 -0.544 1.733
31 H62 H 2H6 N N N 0 4.016 -1.652 1.666
32 H7 H H7 N N N 0 1.567 -2.033 -2.444
33 H8 H H8 N N N 0 -0.43 -0.616 -2.414
34 H12 H H12 N N N 0 0.669 2.5 2.886
35 H14 H H14 N N N 0 -0.765 2.376 -0.595
36 H19 H H19 N N N 0 -1.756 -2.031 -1.055
37 H20 H H20 N N N 0 -2.147 -3.77 0.644
38 H21 H H21 N N N 0 -3.241 -3.189 2.772
39 H22 H H22 N N N 0 -3.94 -0.867 3.203
40 H23 H H23 N N N 0 -3.544 0.873 1.506