Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1SI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 36


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 1.943 0.756 -0.005
2 N3 N N2 N Y N 0 -3.092 -1.052 0.001
3 C4 C C1 N Y N 0 6.162 0.397 0.0
4 C5 C C2 N Y N 0 6.736 -0.864 0.002
5 C6 C C3 N Y N 0 5.938 -1.993 0.002
6 C7 C C4 N Y N 0 4.563 -1.872 0.0
7 C8 C C5 N N N 0 0.003 2.07 -0.002
8 C10 C C6 N Y N 0 -2.149 3.381 0.002
9 C13 C C7 N Y N 0 -4.406 -0.884 0.0
10 C15 C C8 N Y N 0 -3.338 -3.388 0.001
11 C17 C C9 N Y N 0 -5.261 -1.982 -0.001
12 C1 C C10 N N N 0 2.506 -0.468 -0.003
13 C11 C C11 N Y N 0 -3.512 3.047 0.0
14 C12 C C12 N Y N 0 -3.59 1.69 0.0
15 C14 C C13 N Y N 0 -2.549 -2.254 0.002
16 C16 C C14 N Y N 0 -4.72 -3.255 0.0
17 C2 C C15 N Y N 0 3.977 -0.605 -0.002
18 C3 C C16 N Y N 0 4.787 0.533 0.004
19 C9 C C17 N Y N 0 -1.453 2.205 0.003
20 F1 F F1 N N N 0 6.948 1.496 0.0
21 N2 N N3 N N N 0 0.548 0.886 0.0
22 O1 O O1 N N N 0 1.803 -1.461 -0.003
23 O2 O O2 N Y N 0 -2.343 1.189 0.002
24 S1 S S1 N N N 0 -5.078 0.745 -0.001
25 H1 H H1 N N N 0 2.503 1.548 -0.005
26 H2 H H2 N N N 0 7.811 -0.965 0.002
27 H3 H H3 N N N 0 6.391 -2.974 0.002
28 H4 H H4 N N N 0 3.942 -2.755 0.0
29 H5 H H5 N N N 0 0.627 2.951 -0.006
30 H6 H H6 N N N 0 -1.73 4.377 -0.002
31 H7 H H7 N N N 0 -2.884 -4.368 0.001
32 H8 H H8 N N N 0 -6.332 -1.842 -0.001
33 H9 H H9 N N N 0 -4.342 3.739 0.0
34 H10 H H10 N N N 0 -1.474 -2.353 0.003
35 H11 H H11 N N N 0 -5.359 -4.126 -0.001
36 H12 H H12 N N N 0 4.339 1.516 0.008