Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A7I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C15 C C15 N N N 0 3.855 -0.6 1.452
2 C16 C C16 N N N 0 4.441 -1.84 0.773
3 N17 N N17 N N N 0 5.574 -1.447 -0.074
4 C20 C C20 N N N 0 6.248 -2.626 -0.633
5 C22 C C22 N N N 0 7.42 -2.177 -1.507
6 C21 C C21 N N N 0 6.769 -3.503 0.507
7 C18 C C18 N N N 0 5.147 -0.53 -1.139
8 C19 C C19 N N N 0 4.582 0.749 -0.517
9 C14 C C14 N N N 0 3.394 0.392 0.381
10 N13 N N13 N N N 0 2.886 1.606 1.025
11 S12 S S12 N N N 0 1.614 2.428 0.354
12 O23 O O23 N N N 0 1.42 3.539 1.219
13 O24 O O24 N N N 0 1.992 2.613 -1.003
14 C10 C C10 N N N 0 0.217 1.276 0.474
15 C9 C C9 N N N 0 -1.033 1.928 -0.12
16 N8 N N8 N N N 0 -2.161 0.998 -0.023
17 C7 C C7 N N N 0 -3.374 1.359 -0.486
18 O25 O O25 N N N 0 -3.532 2.458 -0.985
19 C3 C C3 N Y N 0 -4.502 0.429 -0.39
20 C2 C C2 N Y N 0 -5.774 0.679 -0.822
21 C1 C C1 N Y N 0 -6.636 -0.369 -0.608
22 C5 C C5 N Y N 0 -6.091 -1.443 -0.021
23 H152 H H152 N N N 0 4.616 -0.134 2.078
24 CL6 CL CL6 N N N 0 -6.953 -2.9 0.363
25 S4 S S4 N Y N 0 -4.433 -1.189 0.294
26 H151 H H151 N N N 0 3.004 -0.891 2.069
27 H161 H H161 N N N 0 4.782 -2.543 1.533
28 H162 H H162 N N N 0 3.675 -2.314 0.159
29 H14 H H14 N N N 0 2.606 -0.06 -0.22
30 H20 H H20 N N N 0 5.542 -3.196 -1.236
31 H181 H H181 N N N 0 6.002 -0.282 -1.768
32 H182 H H182 N N N 0 4.378 -1.01 -1.745
33 H221 H H221 N N N 0 8.126 -1.607 -0.904
34 H222 H H222 N N N 0 7.92 -3.052 -1.922
35 H223 H H223 N N N 0 7.049 -1.552 -2.319
36 H211 H H211 N N N 0 7.475 -2.933 1.111
37 H212 H H212 N N N 0 5.934 -3.824 1.13
38 H213 H H213 N N N 0 7.269 -4.379 0.093
39 H191 H H191 N N N 0 5.354 1.237 0.077
40 H192 H H192 N N N 0 4.251 1.422 -1.308
41 H13 H H13 N N N 0 3.294 1.929 1.843
42 H101 H H101 N N N 0 0.449 0.365 -0.078
43 H102 H H102 N N N 0 0.037 1.031 1.521
44 H91C H H91C N N N 0 -1.265 2.839 0.432
45 H92C H H92C N N N 0 -0.853 2.173 -1.167
46 H8 H H8 N N N 0 -2.035 0.122 0.374
47 H1 H H1 N N N 0 -7.678 -0.331 -0.892
48 H2 H H2 N N N 0 -6.072 1.608 -1.285