Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 6OC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C18 N N N 0 -6.347 5.013 0.411
2 C17 C C17 N N N 0 -6.44 3.722 -0.404
3 C16 C C16 N N N 0 -5.856 2.563 0.407
4 C15 C C15 N N N 0 -5.949 1.272 -0.408
5 C14 C C14 N N N 0 -5.364 0.114 0.404
6 C13 C C13 N N N 0 -5.456 -1.158 -0.399
7 C12 C C12 N N N 0 -4.389 -1.897 -0.579
8 C11 C C11 N N N 0 -3.114 -1.572 0.156
9 C10 C C10 N N N 0 -2.636 -2.795 0.896
10 C9 C C9 N N N 0 -1.406 -3.218 0.736
11 C8 C C8 R N N 0 -0.421 -2.391 -0.049
12 C7 C C7 N N N 0 0.845 -2.181 0.783
13 C6 C C6 N N N 0 1.78 -1.253 0.049
14 O3 O O3 N N N 0 1.465 -0.807 -1.028
15 C5 C C5 N N N 0 3.107 -0.883 0.66
16 C4 C C4 N N N 0 3.856 0.062 -0.282
17 C3 C C3 N N N 0 5.203 0.438 0.338
18 C2 C C2 N N N 0 5.952 1.383 -0.603
19 C1 C C1 N N N 0 7.279 1.753 0.007
20 O1 O O1 N N N 0 7.594 1.307 1.085
21 O2 O O2 N N N 0 8.111 2.579 -0.646
22 OXT O OXT N N Y 0 -0.088 -3.071 -1.261
23 H181 H 1H18 N N N 0 -6.763 5.838 -0.167
24 H182 H 2H18 N N N 0 -6.909 4.899 1.338
25 H183 H 3H18 N N N 0 -5.303 5.222 0.643
26 H171 H 1H17 N N N 0 -7.484 3.512 -0.636
27 H172 H 2H17 N N N 0 -5.878 3.836 -1.331
28 H161 H 1H16 N N N 0 -4.812 2.773 0.639
29 H162 H 2H16 N N N 0 -6.418 2.449 1.334
30 H151 H 1H15 N N N 0 -6.993 1.063 -0.639
31 H152 H 2H15 N N N 0 -5.386 1.386 -1.334
32 H141 H 1H14 N N N 0 -4.32 0.323 0.635
33 H142 H 2H14 N N N 0 -5.926 -0.001 1.331
34 H13 H H13 N N N 0 -6.4 -1.461 -0.826
35 H12 H H12 N N N 0 -4.423 -2.739 -1.255
36 H111 H 1H11 N N N 0 -2.353 -1.259 -0.558
37 H112 H 2H11 N N N 0 -3.3 -0.767 0.866
38 H10 H H10 N N N 0 -3.306 -3.322 1.559
39 H9 H H9 N N N 0 -1.099 -4.159 1.167
40 H8 H H8 N N N 0 -0.865 -1.424 -0.285
41 H7C1 H 1H7C N N N 0 0.58 -1.742 1.745
42 H7C2 H 2H7C N N N 0 1.338 -3.14 0.944
43 H5C1 H 1H5C N N N 0 2.942 -0.388 1.616
44 H5C2 H 2H5C N N N 0 3.7 -1.785 0.816
45 H3C2 H 2H3C N N N 0 5.795 -0.464 0.494
46 H4C1 H 1H4C N N N 0 4.021 -0.433 -1.238
47 H4C2 H 2H4C N N N 0 3.263 0.964 -0.437
48 H3C1 H 1H3C N N N 0 5.038 0.933 1.295
49 H2C1 H 1H2C N N N 0 6.117 0.888 -1.56
50 H2C2 H 2H2C N N N 0 5.359 2.285 -0.759
51 H2 H H2 N N N 0 8.951 2.787 -0.215
52 HOT1 H 1HOT N N N 0 0.313 -3.941 -1.126