Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IJC

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 O O O1 N N N 0 -3.74 -2.281 -2.068
2 C C C1 N N N 0 -3.273 -1.565 -1.026
3 C1 C C2 N Y N 0 -3.243 -0.09 -1.098
4 C2 C C3 N Y N 0 -3.575 0.561 -2.288
5 C3 C C4 N Y N 0 -3.545 1.939 -2.348
6 O1 O O2 N N N 0 -2.878 -2.133 -0.028
7 O2 O O3 N N N 0 -3.538 -1.056 1.807
8 N N N1 N N N 0 -1.136 -1.078 1.242
9 C10 C C5 N Y N 0 4.616 0.538 -0.421
10 C11 C C6 N Y N 0 4.497 -0.851 -0.418
11 C12 C C7 N N N 0 5.35 -3.046 -0.724
12 C4 C C8 N Y N 0 -3.188 2.675 -1.232
13 C5 C C9 N Y N 0 -2.858 2.036 -0.05
14 C6 C C10 N Y N 0 -2.889 0.66 0.026
15 C7 C C11 N N N 0 0.031 -0.49 0.911
16 C8 C C12 N Y N 0 2.297 -0.64 0.235
17 C9 C C13 N Y N 0 3.511 1.295 -0.073
18 N1 N N2 N N N 0 1.095 -1.246 0.575
19 N2 N N3 N Y N 0 2.38 0.681 0.246
20 N3 N N4 N Y N 0 3.335 -1.398 -0.083
21 O3 O O4 N N N 0 -2.071 0.866 2.439
22 O4 O O5 N N N 0 0.123 0.722 0.917
23 O5 O O6 N N N 0 5.554 -1.631 -0.752
24 S S S1 N N N 0 -2.477 -0.151 1.534
25 CL CL CL1 N N N 0 3.605 3.028 -0.053
26 H1 H H1 N N N 0 -3.739 -3.244 -1.974
27 H5 H H5 N N N 0 5.55 1.012 -0.684
28 H2 H H2 N N N 0 -3.853 -0.013 -3.159
29 H3 H H3 N N N 0 -3.801 2.444 -3.268
30 H4 H H4 N N N 0 -1.191 -2.045 1.308
31 H6 H H6 N N N 0 4.556 -3.312 -1.422
32 H7 H H7 N N N 0 6.272 -3.551 -1.012
33 H8 H H8 N N N 0 5.067 -3.352 0.282
34 H9 H H9 N N N 0 -3.166 3.754 -1.285
35 H10 H H10 N N N 0 -2.579 2.618 0.817
36 H11 H H11 N N N 0 1.021 -2.213 0.571