Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C58

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 C C C S N N 0 -2.882 0.436 -0.019
2 N N N N N N 0 -3.103 -0.37 1.189
3 S S S N Y N 0 3.926 -2.533 -0.082
4 C1 C C1 N N N 0 -1.423 0.894 -0.067
5 N1 N N1 N N N 0 -0.542 -0.273 0.026
6 C2 C C2 N Y N 0 0.831 -0.107 0.004
7 N2 N N2 N Y N 0 1.361 1.105 0.009
8 C3 C C3 N Y N 0 2.678 1.278 -0.013
9 N3 N N3 N Y N 0 3.518 0.259 -0.041
10 C4 C C4 N Y N 0 3.069 -1.001 -0.048
11 N4 N N4 N Y N 0 4.226 5.204 0.007
12 C5 C C5 N Y N 0 1.694 -1.235 -0.024
13 C6 C C6 N Y N 0 1.366 -2.655 -0.033
14 C7 C C7 N Y N 0 2.433 -3.456 -0.062
15 C8 C C8 N N N 0 2.365 -4.973 -0.078
16 C9 C C9 N N N 0 0.966 -5.409 0.363
17 C10 C C10 N N N 0 -0.075 -4.634 -0.451
18 C11 C C11 N N N 0 -0.068 -3.17 -0.009
19 C12 C C12 N Y N 0 3.223 2.658 -0.006
20 C13 C C13 N Y N 0 4.601 2.886 -0.028
21 C14 C C14 N Y N 0 5.065 4.187 -0.02
22 C15 C C15 N Y N 0 2.919 5.032 0.029
23 C16 C C16 N Y N 0 2.37 3.766 0.023
24 C17 C C17 N N N 0 -3.8 1.66 0.009
25 C18 C C18 N Y N 0 -5.237 1.212 -0.068
26 C19 C C19 N Y N 0 -5.941 0.946 1.091
27 C20 C C20 N Y N 0 -7.259 0.535 1.021
28 C21 C C21 N Y N 0 -7.873 0.392 -0.209
29 C22 C C22 N Y N 0 -7.169 0.659 -1.369
30 C23 C C23 N Y N 0 -5.852 1.074 -1.298
31 H H H N N N 0 -3.104 -0.164 -0.902
32 HN H HN N N N 0 -2.556 -1.217 1.164
33 HNA H HNA N N N 0 -2.905 0.165 2.021
34 H1 H H1 N N N 0 -1.236 1.416 -1.005
35 H1A H H1A N N N 0 -1.225 1.566 0.768
36 HN1 H HN1 N N N 0 -0.922 -1.163 0.104
37 H8 H H8 N N N 0 2.56 -5.338 -1.086
38 H8A H H8A N N N 0 3.107 -5.379 0.61
39 H9 H H9 N N N 0 0.844 -6.478 0.188
40 H9A H H9A N N N 0 0.834 -5.194 1.424
41 H10 H H10 N N N 0 0.171 -4.695 -1.51
42 H10A H H10A N N N 0 -1.063 -5.061 -0.28
43 H11 H H11 N N N 0 -0.466 -3.092 1.003
44 H11A H H11A N N N 0 -0.679 -2.579 -0.69
45 H13 H H13 N N N 0 5.294 2.058 -0.05
46 H14 H H14 N N N 0 6.129 4.373 -0.037
47 H15 H H15 N N N 0 2.269 5.894 0.052
48 H16 H H16 N N N 0 1.299 3.633 0.041
49 H17 H H17 N N N 0 -3.64 2.212 0.935
50 H17A H H17A N N N 0 -3.573 2.303 -0.841
51 H19 H H19 N N N 0 -5.461 1.058 2.052
52 H20 H H20 N N N 0 -7.809 0.327 1.926
53 H21 H H21 N N N 0 -8.903 0.07 -0.265
54 H22 H H22 N N N 0 -7.649 0.547 -2.33
55 H23 H H23 N N N 0 -5.304 1.286 -2.204