Obsolete: TRE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4P | C4P | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| O3P | C3P | sing | 1.43Å | 1.43Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3P | C4P | sing | 1.53Å | 1.52Å | |
| C3P | C2P | sing | 1.53Å | 1.53Å | |
| C4P | C5P | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C5P | C6P | sing | 1.53Å | 1.52Å | |
| C5P | O5P | sing | 1.43Å | 1.44Å | |
| C6P | O6P | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C1P | sing | 1.43Å | 1.43Å | |
| O2P | C2P | sing | 1.43Å | 1.43Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C2P | C1P | sing | 1.53Å | 1.52Å | |
| O5P | C1P | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.09Å | 1.10Å | |
| C6 | HC61 | sing | 1.09Å | 1.10Å | |
| C6 | HC62 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1P | HC1P | sing | 1.09Å | 1.10Å | |
| C2P | HC2P | sing | 1.09Å | 1.10Å | |
| C3P | HC3P | sing | 1.09Å | 1.10Å | |
| C4P | HC4P | sing | 1.09Å | 1.10Å | |
| C5P | HC5P | sing | 1.09Å | 1.10Å | |
| C6P | H6P1 | sing | 1.09Å | 1.10Å | |
| C6P | H6P2 | sing | 1.09Å | 1.10Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O4P | HO4P | sing | 0.97Å | 0.95Å | |
| O6P | HO6P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4P | C4P | C3P | 106.1° | 109.6° |
| O4P | C4P | C5P | 111.6° | 109.5° |
| O4P | C4P | HC4P | 110.9° | 109.5° |
| C4P | O4P | HO4P | 109.5° | 114.0° |
| O2 | C2 | C3 | 109.7° | 109.5° |
| O2 | C2 | C1 | 108.6° | 109.6° |
| O2 | C2 | HC2 | 109.8° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O3P | C3P | C4P | 108.5° | 109.5° |
| O3P | C3P | C2P | 111.1° | 109.5° |
| O3P | C3P | HC3P | 109.9° | 109.6° |
| C3P | O3P | HO3P | 109.5° | 114.0° |
| O3 | C3 | C2 | 109.3° | 109.6° |
| O3 | C3 | C4 | 109.7° | 109.6° |
| O3 | C3 | HC3 | 109.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4P | C3P | C2P | 109.8° | 109.0° |
| C3P | C4P | C5P | 108.8° | 109.2° |
| C4P | C3P | HC3P | 108.8° | 109.5° |
| C3P | C4P | HC4P | 109.8° | 109.5° |
| C3P | C2P | O2P | 109.5° | 109.6° |
| C3P | C2P | C1P | 110.4° | 109.1° |
| C3P | C2P | HC2P | 109.0° | 109.6° |
| C2P | C3P | HC3P | 108.7° | 109.6° |
| C4P | C5P | C6P | 114.3° | 109.5° |
| C4P | C5P | O5P | 110.2° | 109.4° |
| C5P | C4P | HC4P | 109.6° | 109.5° |
| C4P | C5P | HC5P | 107.6° | 109.4° |
| C3 | C2 | C1 | 111.5° | 109.2° |
| C2 | C3 | C4 | 110.8° | 109.0° |
| C3 | C2 | HC2 | 108.6° | 109.5° |
| C2 | C3 | HC3 | 108.6° | 109.5° |
| C2 | C1 | O1 | 107.9° | 109.5° |
| C2 | C1 | O5 | 110.5° | 109.4° |
| C2 | C1 | HC1 | 108.1° | 109.5° |
| C1 | C2 | HC2 | 108.6° | 109.5° |
| C6P | C5P | O5P | 108.0° | 109.5° |
| C5P | C6P | O6P | 107.4° | 109.4° |
| C6P | C5P | HC5P | 107.7° | 109.5° |
| C5P | C6P | H6P1 | 110.0° | 109.5° |
| C5P | C6P | H6P2 | 110.0° | 109.5° |
| C5P | O5P | C1P | 114.7° | 114.1° |
| O5P | C5P | HC5P | 108.8° | 109.5° |
| O6P | C6P | H6P1 | 110.0° | 109.4° |
| O6P | C6P | H6P2 | 110.0° | 109.5° |
| C6P | O6P | HO6P | 109.5° | 114.0° |
| C3 | C4 | O4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 108.6° | 109.2° |
| C4 | C3 | HC3 | 108.6° | 109.5° |
| C3 | C4 | HC4 | 109.0° | 109.5° |
| C1 | O1 | C1P | 115.1° | 114.0° |
| O1 | C1 | O5 | 111.8° | 109.5° |
| O1 | C1 | HC1 | 109.3° | 109.5° |
| O1 | C1P | C2P | 106.9° | 109.5° |
| O1 | C1P | O5P | 110.7° | 109.5° |
| O1 | C1P | HC1P | 109.7° | 109.4° |
| O2P | C2P | C1P | 108.6° | 109.5° |
| O2P | C2P | HC2P | 110.3° | 109.5° |
| C2P | O2P | HO2P | 109.5° | 114.0° |
| C1 | O5 | C5 | 114.5° | 114.1° |
| O5 | C1 | HC1 | 109.2° | 109.5° |
| C2P | C1P | O5P | 111.1° | 109.4° |
| C2P | C1P | HC1P | 108.5° | 109.5° |
| C1P | C2P | HC2P | 109.1° | 109.4° |
| O5P | C1P | HC1P | 109.7° | 109.5° |
| O4 | C4 | C5 | 110.7° | 109.5° |
| O4 | C4 | HC4 | 110.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 108.2° | 109.4° |
| C4 | C5 | C6 | 112.5° | 109.5° |
| C5 | C4 | HC4 | 108.9° | 109.6° |
| C4 | C5 | HC5 | 108.8° | 109.4° |
| O5 | C5 | C6 | 108.5° | 109.5° |
| O5 | C5 | HC5 | 110.1° | 109.5° |
| C5 | C6 | O6 | 109.6° | 109.5° |
| C6 | C5 | HC5 | 108.8° | 109.5° |
| C5 | C6 | HC61 | 109.4° | 109.5° |
| C5 | C6 | HC62 | 109.4° | 109.4° |
| O6 | C6 | HC61 | 109.4° | 109.5° |
| O6 | C6 | HC62 | 109.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| HC61 | C6 | HC62 | 109.5° | 109.4° |
| H6P1 | C6P | H6P2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4P | C4P | C3P | O3P | 61.3° | 63.2° |
| O4P | C4P | C3P | C5P | 120.2° | 120.0° |
| O4P | C4P | C3P | HC4P | 119.9° | 120.2° |
| O4P | C4P | C3P | C2P | 177.1° | 176.9° |
| O4P | C4P | C5P | HC4P | 123.3° | 120.1° |
| O4P | C4P | C5P | C6P | 63.8° | 62.5° |
| O4P | C4P | C5P | O5P | 174.4° | 177.6° |
| O4P | C4P | C3P | HC3P | 58.3° | 57.0° |
| O4P | C4P | C5P | HC5P | 55.8° | 57.6° |
| O2 | C2 | C3 | O3 | 67.8° | 63.2° |
| O2 | C2 | C3 | C1 | 120.3° | 120.0° |
| O2 | C2 | C3 | HC2 | 120.0° | 120.2° |
| O2 | C2 | C1 | HC2 | 119.4° | 120.2° |
| O2 | C2 | C3 | C4 | 171.2° | 176.9° |
| O2 | C2 | C1 | O1 | 48.4° | 57.5° |
| O2 | C2 | C1 | O5 | 170.9° | 177.5° |
| O2 | C2 | C1 | HC1 | 69.7° | 62.5° |
| O2 | C2 | C3 | HC3 | 52.0° | 57.1° |
| O3P | C3P | C4P | C2P | 121.6° | 119.9° |
| O3P | C3P | C4P | HC3P | 119.6° | 120.3° |
| O3P | C3P | C2P | HC3P | 121.0° | 120.3° |
| O3P | C3P | C4P | C5P | 178.6° | 176.8° |
| O3P | C3P | C2P | O2P | 65.2° | 63.3° |
| O3P | C3P | C2P | C1P | 175.3° | 176.8° |
| O3P | C3P | C2P | HC2P | 55.5° | 57.0° |
| O3P | C3P | C4P | HC4P | 58.6° | 57.0° |
| O3 | C3 | C2 | C4 | 121.0° | 119.9° |
| O3 | C3 | C2 | HC3 | 119.8° | 120.3° |
| O3 | C3 | C2 | C1 | 171.9° | 176.8° |
| O3 | C3 | C4 | HC3 | 120.0° | 120.3° |
| O3 | C3 | C4 | O4 | 62.3° | 63.2° |
| O3 | C3 | C4 | C5 | 176.8° | 176.8° |
| O3 | C3 | C2 | HC2 | 52.2° | 56.9° |
| O3 | C3 | C4 | HC4 | 58.3° | 56.8° |
| C4P | C3P | C2P | HC3P | 118.9° | 119.8° |
| C3P | C4P | C5P | HC4P | 120.0° | 119.9° |
| C3P | C4P | C5P | C6P | 179.5° | 177.6° |
| C3P | C4P | C5P | O5P | 57.7° | 57.6° |
| C4P | C3P | C2P | O2P | 174.8° | 176.9° |
| C4P | C3P | C2P | C1P | 55.2° | 57.0° |
| C4P | C3P | C2P | HC2P | 64.5° | 62.9° |
| C3P | C4P | C5P | HC5P | 60.8° | 62.4° |
| C4P | C3P | O3P | HO3P | 180.0° | 180.0° |
| C3P | C4P | O4P | HO4P | 180.0° | 59.9° |
| C2P | C3P | C4P | C5P | 56.9° | 57.0° |
| C3P | C2P | C1P | O1 | 67.4° | 62.4° |
| C3P | C2P | O2P | C1P | 120.6° | 119.7° |
| C3P | C2P | O2P | HC2P | 119.9° | 120.3° |
| C3P | C2P | C1P | HC2P | 119.7° | 119.9° |
| C3P | C2P | C1P | O5P | 53.6° | 57.6° |
| C3P | C2P | C1P | HC1P | 174.3° | 177.6° |
| C2P | C3P | C4P | HC4P | 63.0° | 62.9° |
| C3P | C2P | O2P | HO2P | 180.0° | 179.6° |
| C2P | C3P | O3P | HO3P | 59.2° | 60.5° |
| C4P | C5P | C6P | O5P | 123.0° | 119.9° |
| C4P | C5P | C6P | HC5P | 119.6° | 120.0° |
| C4P | C5P | O5P | HC5P | 117.8° | 120.0° |
| C4P | C5P | C6P | O6P | 169.9° | 175.0° |
| C4P | C5P | O5P | C1P | 58.8° | 61.1° |
| C5P | C4P | C3P | HC3P | 61.9° | 62.9° |
| C4P | C5P | C6P | H6P1 | 50.3° | 55.1° |
| C4P | C5P | C6P | H6P2 | 70.4° | 65.0° |
| C5P | C4P | O4P | HO4P | 61.7° | 179.7° |
| C3 | C2 | C1 | HC2 | 119.7° | 119.9° |
| C2 | C3 | C4 | HC3 | 119.2° | 119.8° |
| C3 | C2 | C1 | O1 | 72.5° | 62.4° |
| C3 | C2 | C1 | O5 | 49.9° | 57.6° |
| C2 | C3 | C4 | O4 | 176.9° | 176.9° |
| C2 | C3 | C4 | C5 | 56.0° | 56.9° |
| C3 | C2 | C1 | HC1 | 169.4° | 177.6° |
| C2 | C3 | C4 | HC4 | 62.5° | 63.1° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 50.9° | 56.9° |
| C2 | C1 | O1 | O5 | 121.7° | 120.0° |
| C2 | C1 | O1 | HC1 | 117.3° | 120.0° |
| C2 | C1 | O1 | C1P | 179.0° | 170.0° |
| C2 | C1 | O5 | HC1 | 118.7° | 120.0° |
| C2 | C1 | O5 | C5 | 58.1° | 61.1° |
| C1 | C2 | C3 | HC3 | 68.3° | 62.9° |
| C1 | C2 | O2 | HO2 | 57.9° | 60.3° |
| C6P | C5P | O5P | HC5P | 116.7° | 120.1° |
| C5P | C6P | O6P | H6P1 | 119.7° | 120.0° |
| C5P | C6P | O6P | H6P2 | 119.7° | 120.0° |
| C6P | C5P | O5P | C1P | 175.7° | 178.9° |
| C6P | C5P | C4P | HC4P | 59.5° | 57.7° |
| C5P | C6P | H6P1 | H6P2 | 120.9° | 120.1° |
| C5P | C6P | O6P | HO6P | 180.0° | 180.0° |
| O5P | C5P | C6P | O6P | 67.0° | 65.1° |
| C5P | O5P | C1P | O1 | 62.2° | 58.8° |
| C5P | O5P | C1P | C2P | 56.5° | 61.2° |
| C5P | O5P | C1P | HC1P | 176.6° | 178.8° |
| O5P | C5P | C4P | HC4P | 62.3° | 62.3° |
| O5P | C5P | C6P | H6P1 | 173.3° | 175.0° |
| O5P | C5P | C6P | H6P2 | 52.7° | 54.9° |
| O6P | C6P | C5P | HC5P | 50.4° | 55.0° |
| O6P | C6P | H6P1 | H6P2 | 120.9° | 120.0° |
| C3 | C4 | O4 | C5 | 119.6° | 119.8° |
| C3 | C4 | O4 | HC4 | 119.8° | 120.0° |
| C3 | C4 | C5 | HC4 | 118.6° | 119.9° |
| C3 | C4 | C5 | O5 | 60.8° | 57.6° |
| C3 | C4 | C5 | C6 | 179.3° | 177.6° |
| C4 | C3 | C2 | HC2 | 68.8° | 63.0° |
| C3 | C4 | C5 | HC5 | 58.7° | 62.4° |
| C4 | C3 | O3 | HO3 | 58.4° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| O1 | C1 | O5 | HC1 | 121.1° | 120.0° |
| C1 | O1 | C1P | C2P | 176.9° | 170.0° |
| C1 | O1 | C1P | O5P | 55.7° | 70.0° |
| O1 | C1 | O5 | C5 | 62.0° | 58.8° |
| O1 | C1 | C2 | HC2 | 167.8° | 177.7° |
| C1 | O1 | C1P | HC1P | 65.6° | 50.0° |
| O1 | C1P | C2P | O2P | 52.6° | 57.6° |
| C1P | O1 | C1 | O5 | 57.4° | 70.0° |
| O1 | C1P | C2P | O5P | 121.0° | 120.0° |
| O1 | C1P | C2P | HC1P | 118.3° | 120.0° |
| O1 | C1P | O5P | HC1P | 121.2° | 120.0° |
| C1P | O1 | C1 | HC1 | 63.7° | 50.0° |
| O1 | C1P | C2P | HC2P | 172.9° | 177.7° |
| O2P | C2P | C1P | HC2P | 120.3° | 120.1° |
| O2P | C2P | C1P | O5P | 173.6° | 177.6° |
| O2P | C2P | C1P | HC1P | 65.7° | 62.4° |
| O2P | C2P | C3P | HC3P | 55.9° | 57.1° |
| C1 | O5 | C5 | C4 | 63.9° | 61.1° |
| C1 | O5 | C5 | C6 | 173.8° | 178.9° |
| O5 | C1 | C2 | HC2 | 69.8° | 62.3° |
| C1 | O5 | C5 | HC5 | 54.9° | 58.8° |
| C2P | C1P | O5P | HC1P | 120.0° | 120.0° |
| C1P | C2P | C3P | HC3P | 63.7° | 62.9° |
| C1P | C2P | O2P | HO2P | 59.4° | 59.9° |
| O5P | C1P | C2P | HC2P | 66.1° | 62.3° |
| C1P | O5P | C5P | HC5P | 59.1° | 58.8° |
| O4 | C4 | C5 | HC4 | 121.4° | 120.1° |
| O4 | C4 | C5 | O5 | 179.2° | 177.5° |
| O4 | C4 | C5 | C6 | 59.3° | 62.5° |
| O4 | C4 | C3 | HC3 | 57.7° | 57.1° |
| O4 | C4 | C5 | HC5 | 61.3° | 57.5° |
| C4 | C5 | O5 | C6 | 122.3° | 120.0° |
| C4 | C5 | O5 | HC5 | 118.8° | 119.9° |
| C4 | C5 | C6 | HC5 | 120.6° | 120.0° |
| C4 | C5 | C6 | O6 | 178.3° | 175.0° |
| C5 | C4 | C3 | HC3 | 63.2° | 62.9° |
| C4 | C5 | C6 | HC61 | 58.3° | 55.0° |
| C4 | C5 | C6 | HC62 | 61.7° | 65.0° |
| C5 | C4 | O4 | HO4 | 60.4° | 179.7° |
| O5 | C5 | C6 | HC5 | 119.7° | 120.1° |
| O5 | C5 | C6 | O6 | 62.0° | 65.1° |
| C5 | O5 | C1 | HC1 | 176.8° | 178.9° |
| O5 | C5 | C4 | HC4 | 57.7° | 62.3° |
| O5 | C5 | C6 | HC61 | 178.0° | 174.9° |
| O5 | C5 | C6 | HC62 | 58.0° | 55.0° |
| C5 | C6 | O6 | HC61 | 120.0° | 120.0° |
| C5 | C6 | O6 | HC62 | 120.0° | 120.0° |
| C6 | C5 | C4 | HC4 | 62.1° | 57.7° |
| C5 | C6 | HC61 | HC62 | 119.9° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | HC5 | 57.7° | 55.0° |
| O6 | C6 | HC61 | HC62 | 120.0° | 120.0° |
| HC1 | C1 | C2 | HC2 | 49.7° | 57.7° |
| HC2 | C2 | C3 | HC3 | 172.1° | 177.2° |
| HC2 | C2 | O2 | HO2 | 60.7° | 59.9° |
| HC3 | C3 | C4 | HC4 | 178.3° | 177.1° |
| HC3 | C3 | O3 | HO3 | 60.9° | 60.2° |
| HC4 | C4 | C5 | HC5 | 177.3° | 177.7° |
| HC4 | C4 | O4 | HO4 | 60.2° | 60.1° |
| HC5 | C5 | C6 | HC61 | 62.3° | 65.0° |
| HC5 | C5 | C6 | HC62 | 177.7° | 175.0° |
| HC61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| HC62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| HC1P | C1P | C2P | HC2P | 54.6° | 57.7° |
| HC2P | C2P | C3P | HC3P | 176.6° | 177.3° |
| HC2P | C2P | O2P | HO2P | 60.1° | 60.1° |
| HC3P | C3P | C4P | HC4P | 178.2° | 177.2° |
| HC3P | C3P | O3P | HO3P | 61.2° | 59.8° |
| HC4P | C4P | C5P | HC5P | 179.1° | 177.7° |
| HC4P | C4P | O4P | HO4P | 60.8° | 60.2° |
| HC5P | C5P | C6P | H6P1 | 69.3° | 64.9° |
| HC5P | C5P | C6P | H6P2 | 170.1° | 175.0° |
| H6P1 | C6P | O6P | HO6P | 60.3° | 60.0° |
| H6P2 | C6P | O6P | HO6P | 60.3° | 60.0° |
