Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A0S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N Y N 0 1.276 0.766 -2.127
2 C5 C C2 N N N 0 2.6 2.411 -0.811
3 C6 C C3 N N N 0 2.326 2.084 0.622
4 N1 N N1 N N N 0 1.022 1.458 0.753
5 C7 C C4 N N N 0 0.036 2.156 1.351
6 C8 C C5 N Y N 0 -1.329 1.624 1.372
7 C9 C C6 N Y N 0 -2.384 2.146 2.065
8 C10 C C7 N Y N 0 -3.489 1.325 1.799
9 C11 C C8 N Y N 0 -3.067 0.347 0.964
10 C12 C C9 R N N 0 0.728 0.132 0.278
11 C13 C C10 N Y N 0 1.843 -0.786 0.706
12 C14 C C11 N Y N 0 1.593 -1.803 1.609
13 C15 C C12 N Y N 0 2.615 -2.646 2.001
14 F F F1 N N N 0 4.89 -3.296 1.873
15 C16 C C13 N Y N 0 3.89 -2.472 1.49
16 C17 C C14 N Y N 0 4.14 -1.454 0.585
17 C18 C C15 N Y N 0 3.115 -0.615 0.19
18 C19 C C16 N Y N 0 0.567 0.022 -1.207
19 C3 C C17 N Y N 0 1.035 0.547 -3.495
20 C2 C C18 N Y N 0 0.115 -0.379 -3.921
21 C20 C C19 N Y N 0 -0.371 -0.909 -1.649
22 C1 C C20 N Y N 0 -0.595 -1.117 -2.992
23 C C C21 N N N 0 -1.61 -2.135 -3.444
24 O O O1 N N N 0 3.237 3.42 -1.028
25 N N N2 N N N 0 2.224 1.722 -1.849
26 O1 O O2 N N N 0 0.28 3.227 1.874
27 O2 O O3 N Y N 0 -1.766 0.535 0.705
28 BR BR BR1 N N N 0 -4.138 -1.048 0.271
29 H1 H H1 N N N 0 3.093 1.402 0.989
30 H2 H H2 N N N 0 2.348 3.0 1.212
31 H3 H H3 N N N 0 -2.369 3.022 2.697
32 H4 H H4 N N N 0 -4.489 1.45 2.187
33 H5 H H5 N N N 0 -0.195 -0.206 0.749
34 H6 H H6 N N N 0 0.599 -1.938 2.007
35 H7 H H7 N N N 0 2.42 -3.439 2.707
36 H8 H H8 N N N 0 5.134 -1.318 0.186
37 H9 H H9 N N N 0 3.308 0.176 -0.519
38 H10 H H10 N N N 0 1.585 1.121 -4.226
39 H11 H H11 N N N 0 -0.05 -0.534 -4.977
40 H12 H H12 N N N 0 -0.927 -1.485 -0.925
41 H13 H H13 N N N 0 -1.124 -3.103 -3.568
42 H14 H H14 N N N 0 -2.399 -2.218 -2.697
43 H15 H H15 N N N 0 -2.041 -1.821 -4.394
44 H16 H H16 N N N 0 2.751 1.94 -2.633