Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 95S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 37


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N N N 0 -0.449 1.857 0.084
2 C8 C C2 N Y N 0 3.549 1.253 -1.121
3 C10 C C3 N Y N 0 3.758 -0.936 -0.478
4 C3 C C4 N Y N 0 -2.593 0.89 -0.218
5 C2 C C5 N Y N 0 2.771 1.328 -0.039
6 C14 C C6 N Y N 0 -3.398 -0.948 0.756
7 C13 C C7 N Y N 0 -4.484 -0.669 0.032
8 C12 C C8 N Y N 0 4.09 0.003 -1.364
9 C18 C C9 N N N 0 4.216 -2.371 -0.519
10 C20 C C10 N N N 0 4.988 -0.276 -2.543
11 C22 C C11 N N N 0 5.523 -2.512 0.264
12 C23 C C12 N N N 0 7.176 -4.115 0.93
13 N11 N N1 N Y N 0 -2.401 -0.095 0.601
14 N4 N N2 N N N 0 0.458 2.811 -0.202
15 N9 N N3 N N N 0 -1.659 1.878 -0.509
16 O15 O O1 N N N 0 1.714 2.599 1.911
17 O16 O O2 N N N 0 2.673 3.883 -0.007
18 O17 O O3 N N N 0 -0.175 0.974 0.874
19 O21 O O4 N N N 0 5.957 -3.873 0.224
20 S1 S S1 N N N 0 1.947 2.781 0.521
21 S5 S S2 N Y N 0 -4.16 0.794 -0.895
22 S6 S S3 N Y N 0 2.694 -0.246 0.742
23 BR19 BR BR1 N N N 0 -6.088 -1.669 0.005
24 H1 H H1 N N N 0 3.737 2.103 -1.76
25 H2 H H2 N N N 0 -3.339 -1.802 1.415
26 H3 H H3 N N N 0 3.453 -3.009 -0.072
27 H4 H H4 N N N 0 4.378 -2.671 -1.555
28 H5 H H5 N N N 0 6.025 -0.098 -2.259
29 H6 H H6 N N N 0 4.869 -1.314 -2.852
30 H7 H H7 N N N 0 4.719 0.383 -3.368
31 H8 H H8 N N N 0 6.285 -1.875 -0.184
32 H9 H H9 N N N 0 5.36 -2.213 1.299
33 H10 H H10 N N N 0 7.437 -5.17 0.852
34 H11 H H11 N N N 0 7.973 -3.51 0.496
35 H12 H H12 N N N 0 7.048 -3.849 1.979
36 H13 H H13 N N N 0 0.239 3.515 -0.832
37 H14 H H14 N N N 0 -1.878 2.582 -1.139