Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 95R

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 N1 N N1 N N N 0 -1.969 1.685 0.028
2 C2 C C1 N N N 0 -2.57 -2.501 -0.466
3 C4 C C2 N N N 0 -1.206 -0.528 0.347
4 C6 C C3 N N N 0 -3.397 -0.176 -0.775
5 C7 C C4 R N N 0 0.032 0.002 1.033
6 C9 C C5 N N N 0 -1.123 2.188 0.944
7 C10 C C6 N Y N 0 1.076 0.336 -0.002
8 C1 C C7 N N N 0 -3.101 -1.495 -1.492
9 C3 C C8 N N N 0 -1.358 -1.917 0.21
10 C5 C C9 N N N 0 -2.141 0.331 -0.109
11 O1 O O1 N N N 0 -0.504 -2.66 0.652
12 C8 C C10 N N N 0 -0.322 1.263 1.823
13 O2 O O2 N N N 0 -1.004 3.389 1.062
14 C11 C C11 N Y N 0 0.807 1.276 -0.977
15 C12 C C12 N Y N 0 1.764 1.582 -1.926
16 C13 C C13 N Y N 0 2.993 0.949 -1.902
17 C14 C C14 N Y N 0 3.266 0.007 -0.929
18 C15 C C15 N Y N 0 2.31 -0.297 0.029
19 O3 O O3 N N N 0 2.579 -1.219 0.991
20 C16 C C16 N N N 0 3.87 -1.83 0.96
21 H1 H H1 N N N 0 -2.469 2.289 -0.543
22 H2 H H2 N N N 0 -3.341 -2.704 0.278
23 H3 H H3 N N N 0 -2.297 -3.428 -0.97
24 H5 H H5 N N N 0 -3.746 0.56 -1.499
25 H6 H H6 N N N 0 -4.167 -0.338 -0.022
26 H7 H H7 N N N 0 0.423 -0.754 1.713
27 H8 H H8 N N N 0 -2.35 -1.331 -2.265
28 H9 H H9 N N N 0 -4.015 -1.88 -1.943
29 H11 H H11 N N N 0 -0.912 0.991 2.699
30 H12 H H12 N N N 0 0.593 1.763 2.14
31 H13 H H13 N N N 0 -0.153 1.772 -0.998
32 H14 H H14 N N N 0 1.551 2.318 -2.688
33 H15 H H15 N N N 0 3.739 1.19 -2.645
34 H16 H H16 N N N 0 4.226 -0.488 -0.91
35 H17 H H17 N N N 0 4.004 -2.35 0.011
36 H18 H H18 N N N 0 4.638 -1.064 1.066
37 H19 H H19 N N N 0 3.954 -2.544 1.78