Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 72O

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 Y N 0 3.086 -0.145 0.063
2 N2 N N1 N Y N 0 1.358 -0.895 1.273
3 C3 C C2 N Y N 0 2.614 -0.508 1.277
4 S4 S S1 N Y N 0 1.779 -0.338 -1.102
5 C5 C C3 N Y N 0 4.449 0.335 -0.231
6 C6 C C4 N Y N 0 0.738 -0.882 0.14
7 N7 N N2 N Y N 0 5.235 1.094 0.585
8 N8 N N3 N Y N 0 6.446 1.322 -0.079
9 C9 C C5 N Y N 0 5.171 0.094 -1.381
10 C10 C C6 N Y N 0 6.405 0.731 -1.246
11 C11 C C7 N Y N 0 -3.76 0.715 0.105
12 C12 C C8 N N N 0 -0.699 -1.29 -0.059
13 O13 O O1 N N N 0 -1.545 -0.15 0.106
14 C14 C C9 N Y N 0 -2.881 -0.347 -0.042
15 C15 C C10 N Y N 0 -5.12 0.511 -0.041
16 C16 C C11 N N N 0 3.455 -0.474 2.527
17 CL1 CL CL1 N N N 0 -6.222 1.839 0.149
18 C18 C C12 N Y N 0 -4.727 -1.811 -0.489
19 C19 C C13 N Y N 0 -3.368 -1.612 -0.339
20 C20 C C14 N Y N 0 -5.603 -0.751 -0.338
21 H1 H H1 N N N 0 4.997 1.419 1.468
22 H2 H H2 N N N 0 4.841 -0.482 -2.232
23 H3 H H3 N N N 0 7.196 0.732 -1.981
24 H4 H H4 N N N 0 -3.383 1.701 0.336
25 H5 H H5 N N N 0 -0.826 -1.695 -1.063
26 H6 H H6 N N N 0 -0.966 -2.05 0.675
27 H7 H H7 N N N 0 3.36 0.502 3.003
28 H8 H H8 N N N 0 3.116 -1.248 3.215
29 H9 H H9 N N N 0 4.499 -0.651 2.267
30 H10 H H10 N N N 0 -5.106 -2.795 -0.72
31 H11 H H11 N N N 0 -2.685 -2.44 -0.458
32 H12 H H12 N N N 0 -6.665 -0.909 -0.456