Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 87R

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 C18 C C1 N Y N 0 -2.56 1.903 -1.16
2 C22 C C2 N Y N 0 -2.215 0.254 0.545
3 C19 C C3 N Y N 0 -3.84 1.426 -1.366
4 C21 C C4 N Y N 0 -3.493 -0.23 0.339
5 C1 C C5 N Y N 0 2.442 -1.562 0.647
6 C2 C C6 N Y N 0 2.786 -0.288 0.161
7 C17 C C7 N Y N 0 -1.747 1.316 -0.207
8 C20 C C8 N Y N 0 -4.31 0.357 -0.616
9 C3 C C9 N Y N 0 4.172 -0.302 -0.082
10 C6 C C10 N Y N 0 5.939 -1.854 0.12
11 C8 C C11 N Y N 0 6.296 0.358 -0.683
12 C7 C C12 N Y N 0 6.792 -0.907 -0.348
13 C11 C C13 N N N 0 1.874 0.84 -0.053
14 N9 N N2 N Y N 0 5.016 0.623 -0.542
15 C10 C C14 N N N 0 8.259 -1.215 -0.505
16 C16 C C15 N N N 0 1.058 3.371 1.392
17 C15 C C16 N N N 0 -0.33 2.746 1.242
18 C14 C C17 R N N 0 -0.35 1.835 0.012
19 C24 C C18 N N N 0 -5.986 -1.216 -0.009
20 N5 N N1 N Y N 0 3.522 -2.297 0.699
21 N4 N N3 N Y N 0 4.617 -1.549 0.254
22 N13 N N4 N N N 0 0.562 0.708 0.226
23 O12 O O1 N N N 0 2.302 1.896 -0.482
24 O23 O O2 N N N 0 -5.569 -0.114 -0.817
25 F25 F F1 N N N 0 -5.931 -0.852 1.34
26 F26 F F2 N N N 0 -7.297 -1.57 -0.345
27 F27 F F3 N N N 0 -5.137 -2.306 -0.233
28 H1 H H1 N N N 0 -2.192 2.732 -1.746
29 H2 H H2 N N N 0 -1.579 -0.202 1.288
30 H3 H H3 N N N 0 -4.474 1.885 -2.11
31 H4 H H4 N N N 0 -3.855 -1.064 0.921
32 H5 H H5 N N N 0 1.45 -1.88 0.934
33 H6 H H6 N N N 0 6.303 -2.836 0.384
34 H7 H H7 N N N 0 6.966 1.118 -1.056
35 H8 H H8 N N N 0 8.443 -1.611 -1.504
36 H9 H H9 N N N 0 8.839 -0.303 -0.363
37 H10 H H10 N N N 0 8.557 -1.954 0.239
38 H11 H H11 N N N 0 1.8 2.582 1.513
39 H12 H H12 N N N 0 1.291 3.956 0.502
40 H13 H H13 N N N 0 1.072 4.02 2.267
41 H14 H H14 N N N 0 -0.564 2.161 2.131
42 H15 H H15 N N N 0 -1.073 3.535 1.121
43 H16 H H16 N N N 0 -0.03 2.4 -0.863
44 H17 H H17 N N N 0 0.221 -0.134 0.567