Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : OTA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 28


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 -1.321 0.415 -4.351
2 C2 C C2 N N N 0 -2.084 -0.033 -3.174
3 C3 C C3 N Y N 0 -1.179 -0.017 -1.983
4 C4 C C4 N Y N 0 0.174 0.017 -2.01
5 C5 C C5 N N N 0 0.896 0.035 -3.353
6 C6 C C6 N N N 0 -0.107 -0.405 -4.424
7 S13 S S13 N Y N 0 -1.594 -0.031 -0.265
8 C14 C C14 N Y N 0 0.002 0.009 0.408
9 C15 C C15 N Y N 0 0.821 0.039 -0.715
10 C16 C C16 N N N 0 2.28 0.085 -0.593
11 O17 O O17 N N N 0 2.988 -1.06 -0.535
12 O18 O O18 N N N 0 2.852 1.157 -0.543
13 N19 N N19 N N N 0 0.371 0.017 1.742
14 C20 C C20 N N N 0 -0.572 -0.009 2.703
15 C21 C C21 N N N 0 -0.173 -0.001 4.141
16 O22 O O22 N N N 0 -1.116 -0.028 5.101
17 O23 O O23 N N N 0 1.0 0.029 4.445
18 O24 O O24 N N N 0 -1.747 -0.04 2.399
19 H1 H H1 N N N 0 -1.876 0.184 -5.162
20 H21 H 1H2 N N N 0 -2.451 -1.046 -3.34
21 H22A H 2H2 N N N 0 -2.925 0.638 -3.004
22 H51 H 1H5 N N N 0 1.738 -0.656 -3.329
23 H52 H 2H5 N N N 0 1.25 1.043 -3.569
24 H61 H 1H6 N N N 0 -0.369 -1.451 -4.266
25 H62 H 2H6 N N N 0 0.344 -0.293 -5.41
26 H17 H H17 N N N 0 3.952 -1.029 -0.455
27 H19 H H19 N N N 0 1.31 0.042 1.984
28 H22 H H22 N N N 0 -0.858 -0.023 6.033