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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 |
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