Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : EC3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 32


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 4.297 -0.202 1.212
2 C10 C C2 N Y N 0 -1.734 1.249 -0.235
3 C11 C C3 N Y N 0 -2.203 -0.036 0.083
4 C12 C C4 N Y N 0 -1.36 -1.158 -0.11
5 C13 C C5 N Y N 0 -0.06 -0.957 -0.621
6 C14 C C6 N Y N 0 -3.499 -0.237 0.594
7 C15 C C7 N Y N 0 -3.888 -1.515 0.881
8 C16 C C8 N Y N 0 -3.008 -2.574 0.667
9 C2 C C9 N N N 0 3.734 1.147 1.716
10 C3 C C10 N N N 0 3.048 1.697 0.446
11 C5 C C11 N N N 0 3.405 -0.563 0.044
12 C7 C C12 N N N 0 1.751 0.516 -1.464
13 N4 N N2 N N N 0 2.714 0.517 -0.36
14 C8 C C13 N Y N 0 0.361 0.307 -0.919
15 C9 C C14 N Y N 0 -0.472 1.405 -0.727
16 N17 N N1 N Y N 0 -1.801 -2.382 0.193
17 O19 O O1 N N N 0 0.768 -2.017 -0.815
18 O6 O O2 N N N 0 3.326 -1.665 -0.455
19 CL1 CL CL1 N N N 0 -2.759 2.632 -0.01
20 H1 H H1 N N N 0 5.329 -0.085 0.881
21 H2 H H2 N N N 0 4.231 -0.959 1.993
22 H3 H H3 N N N 0 -4.168 0.595 0.754
23 H4 H H4 N N N 0 -4.876 -1.704 1.273
24 H5 H H5 N N N 0 -3.328 -3.579 0.899
25 H6 H H6 N N N 0 3.009 0.993 2.515
26 H7 H H7 N N N 0 4.538 1.807 2.043
27 H8 H H8 N N N 0 2.141 2.241 0.712
28 H9 H H9 N N N 0 3.731 2.348 -0.1
29 H10 H H10 N N N 0 1.994 -0.289 -2.158
30 H11 H H11 N N N 0 1.796 1.472 -1.987
31 H12 H H12 N N N 0 -0.114 2.394 -0.971
32 H13 H H13 N N N 0 0.643 -2.464 -1.663