Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DCR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -11.867 -0.406 -0.004
2 C1 C C1 N N N 0 -10.657 0.176 0.002
3 O2 O O2 N N N 0 -10.567 1.381 0.015
4 C2 C C2 N N N 0 -9.412 -0.673 -0.007
5 C3 C C3 N N N 0 -8.178 0.232 0.002
6 C4 C C4 N N N 0 -6.914 -0.63 -0.007
7 C5 C C5 N N N 0 -5.68 0.274 0.003
8 C6 C C6 N N N 0 -4.416 -0.588 -0.006
9 C7 C C7 N N N 0 -3.182 0.316 0.003
10 C8 C C8 N N N 0 -1.918 -0.546 -0.006
11 C9 C C9 N N N 0 -0.684 0.359 0.004
12 C10 C C10 N N N 0 0.58 -0.503 -0.005
13 C11 C C11 N N N 0 1.814 0.401 0.004
14 C12 C C12 N N N 0 3.078 -0.461 -0.005
15 C13 C C13 N N N 0 4.312 0.443 0.005
16 C14 C C14 N N N 0 5.576 -0.419 -0.005
17 C15 C C15 N N N 0 6.811 0.486 0.005
18 C16 C C16 N N N 0 8.075 -0.376 -0.004
19 C17 C C17 N N N 0 9.309 0.528 0.006
20 C18 C C18 N N N 0 10.573 -0.334 -0.004
21 C19 C C19 N N N 0 11.807 0.57 0.006
22 C20 C C20 N N N 0 13.071 -0.292 -0.003
23 HO1 H HO1 N N N 0 -12.636 0.18 0.002
24 H2 H H2 N N N 0 -9.402 -1.311 0.876
25 H4 H H4 N N N 0 -6.904 -1.269 0.876
26 H2A H H2A N N N 0 -9.402 -1.292 -0.904
27 H3 H H3 N N N 0 -8.189 0.871 -0.881
28 H3A H H3A N N N 0 -8.189 0.851 0.899
29 H4A H H4A N N N 0 -6.904 -1.25 -0.904
30 H5 H H5 N N N 0 -5.691 0.913 -0.88
31 H5A H H5A N N N 0 -5.691 0.894 0.9
32 H6 H H6 N N N 0 -4.405 -1.227 0.877
33 H6A H H6A N N N 0 -4.405 -1.207 -0.903
34 H7 H H7 N N N 0 -3.193 0.955 -0.88
35 H7A H H7A N N N 0 -3.193 0.936 0.9
36 H8 H H8 N N N 0 -1.907 -1.184 0.877
37 H8A H H8A N N N 0 -1.907 -1.165 -0.903
38 H9 H H9 N N N 0 -0.695 0.998 -0.879
39 H9A H H9A N N N 0 -0.695 0.978 0.901
40 H10 H H10 N N N 0 0.591 -1.142 0.878
41 H10A H H10A N N N 0 0.591 -1.123 -0.902
42 H11 H H11 N N N 0 1.804 1.04 -0.879
43 H13 H H13 N N N 0 4.302 1.082 -0.878
44 H11A H H11A N N N 0 1.804 1.02 0.901
45 H12 H H12 N N N 0 3.089 -1.1 0.878
46 H12A H H12A N N N 0 3.089 -1.081 -0.902
47 H13A H H13A N N N 0 4.302 1.063 0.902
48 H14 H H14 N N N 0 5.587 -1.058 0.878
49 H14A H H14A N N N 0 5.587 -1.038 -0.901
50 H15 H H15 N N N 0 6.8 1.125 -0.878
51 H15A H H15A N N N 0 6.8 1.105 0.902
52 H16 H H16 N N N 0 8.085 -1.015 0.879
53 H16A H H16A N N N 0 8.085 -0.996 -0.901
54 H17 H H17 N N N 0 9.298 1.167 -0.877
55 H17A H H17A N N N 0 9.298 1.148 0.902
56 H18 H H18 N N N 0 10.583 -0.973 0.879
57 H18A H H18A N N N 0 10.583 -0.954 -0.9
58 H19 H H19 N N N 0 11.796 1.209 -0.877
59 H19A H H19A N N N 0 11.796 1.19 0.903
60 H20 H H20 N N N 0 13.95 0.352 0.004
61 H20A H H20A N N N 0 13.081 -0.931 0.88
62 H20B H H20B N N N 0 13.081 -0.911 -0.9