Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PTO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 25


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 0.627 -1.165 0.143
2 C2 C C2 N N N 0 -0.885 -1.266 0.402
3 C3 C C3 N N N 0 -1.57 -0.024 -0.175
4 C4 C C4 N N N 0 -0.885 1.264 0.409
5 C5 C C5 S N N 0 0.625 1.17 0.135
6 C6 C C6 N N N 0 0.827 0.769 -1.345
7 C7 C C7 N N N 0 0.828 -0.774 -1.339
8 N8 N N8 N N N 0 1.141 0.006 0.903
9 C9 C C9 N N N 0 2.601 0.007 0.74
10 O3 O O3 N N N 0 -2.955 -0.038 0.178
11 H1 H H1 N N N 0 1.15 -2.086 0.401
12 H21 H 1H2 N N N 0 -1.28 -2.159 -0.083
13 H22 H 2H2 N N N 0 -1.069 -1.319 1.475
14 H3 H H3 N N N 0 -1.473 -0.027 -1.261
15 H41 H 1H4 N N N 0 -1.067 1.32 1.483
16 H42 H 2H4 N N N 0 -1.293 2.149 -0.079
17 H5 H H5 N N N 0 1.146 2.094 0.386
18 H61 H 1H6 N N N 0 0.006 1.146 -1.955
19 H62 H 2H6 N N N 0 1.78 1.148 -1.714
20 H71 H 1H7 N N N 0 0.008 -1.156 -1.947
21 H72 H 2H7 N N N 0 1.782 -1.154 -1.706
22 H91 H 1H9 N N N 0 3.009 0.939 1.129
23 H92 H 2H9 N N N 0 3.028 -0.833 1.288
24 H93 H 3H9 N N N 0 2.849 -0.086 -0.317
25 HO3 H HO3 N N N 0 -3.349 0.759 -0.203