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Table A.4
Part of the schematic representation of the internal coordinates (in 100 pm and degrees) of the aG′g conformer of 1, 2-propanediol given in aG’g.txt.
| Atom | Atom ref. no. | Bond length label | Atom ref. no. | Bond angle label | Atom ref. no. | Dihedral angle label |
|
|
||||||
| H | ||||||
| O | 1 | B1 | ||||
| C | 2 | B2 | 1 | A1 | ||
| C | 3 | B3 | 2 | A2 | 1 | D1 |
| Label | Value | |||||
|
|
||||||
| B1 | 0.96170000 | |||||
| B2 | 1.43000000 | |||||
| D9 | 178.50000000 | |||||
| D10 | 59.30000000 | |||||
Notes. This text file as well as those of other conformers are available in their entirety at the CDS. A portion is shown here for guidance regarding its form and content.
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