Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J92

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O29 O O1 N N N 0 -7.138 -0.243 0.205
2 C28 C C1 N N N 0 -7.157 0.962 0.117
3 O30 O O2 N N N 0 -8.328 1.618 0.127
4 C31 C C2 N N N 0 -9.532 0.814 0.247
5 C27 C C3 N N N 0 -5.865 1.73 0.002
6 C26 C C4 N N N 0 -4.688 0.753 0.021
7 C25 C C5 N N N 0 -3.376 1.533 -0.096
8 N23 N N1 N N N 0 -2.249 0.597 -0.078
9 C21 C C6 N N N 0 -0.987 1.061 -0.169
10 O22 O O3 N N N 0 -0.784 2.256 -0.266
11 C11 C C7 N Y N 0 0.147 0.12 -0.152
12 C12 C C8 N Y N 0 -0.082 -1.254 -0.04
13 C7 C C9 N Y N 0 0.982 -2.129 -0.025
14 S4 S S1 N N N 0 0.69 -3.861 0.115
15 O5 O O4 N N N 0 1.559 -4.333 1.136
16 O6 O O5 N N N 0 -0.72 -4.028 0.157
17 N1 N N2 N N N 0 1.202 -4.56 -1.296
18 C10 C C10 N Y N 0 1.464 0.599 -0.252
19 C9 C C11 N Y N 0 2.524 -0.299 -0.235
20 C8 C C12 N Y N 0 2.282 -1.653 -0.119
21 CL1 CL CL1 N N N 0 3.612 -2.769 -0.097
22 S14 S S2 N N N 0 1.769 2.328 -0.4
23 C15 C C13 N N N 0 3.578 2.432 -0.31
24 C20 C C14 N N N 0 4.027 3.846 -0.684
25 C19 C C15 N N N 0 5.552 3.934 -0.608
26 C18 C C16 N N N 0 6.011 3.613 0.816
27 C17 C C17 N N N 0 5.563 2.198 1.189
28 C16 C C18 N N N 0 4.037 2.11 1.113
29 H1 H H1 N N N 0 -9.591 0.122 -0.593
30 H2 H H2 N N N 0 -9.502 0.252 1.18
31 H3 H H3 N N N 0 -10.406 1.466 0.243
32 H4 H H4 N N N 0 -5.857 2.291 -0.933
33 H5 H H5 N N N 0 -5.777 2.421 0.841
34 H6 H H6 N N N 0 -4.695 0.193 0.956
35 H7 H H7 N N N 0 -4.776 0.062 -0.818
36 H8 H H8 N N N 0 -3.369 2.093 -1.031
37 H9 H H9 N N N 0 -3.288 2.223 0.743
38 H10 H H10 N N N 0 -2.411 -0.356 -0.001
39 H11 H H11 N N N 0 -1.092 -1.63 0.034
40 H12 H H12 N N N 0 1.579 -4.01 -2.001
41 H13 H H13 N N N 0 1.126 -5.519 -1.418
42 H14 H H14 N N N 0 3.539 0.063 -0.312
43 H18 H H18 N N N 0 5.992 3.218 -1.302
44 H15 H H15 N N N 0 4.018 1.716 -1.004
45 H16 H H16 N N N 0 3.7 4.075 -1.698
46 H17 H H17 N N N 0 3.586 4.562 0.01
47 H19 H H19 N N N 0 5.872 4.942 -0.874
48 H20 H H20 N N N 0 7.098 3.675 0.87
49 H21 H H21 N N N 0 5.571 4.328 1.51
50 H22 H H22 N N N 0 6.003 1.482 0.495
51 H23 H H23 N N N 0 5.89 1.969 2.204
52 H24 H H24 N N N 0 3.597 2.826 1.808
53 H25 H H25 N N N 0 3.717 1.103 1.379