P23
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | O7 | sing | 1.43Å | 1.37Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| O7 | PA | sing | 1.61Å | 1.41Å | |
| PA | O1A | doub | 1.48Å | 1.41Å | |
| PA | O2A | sing | 1.61Å | 1.41Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.60Å | |
| PB | O1B | sing | 1.61Å | 1.44Å | |
| PB | O2B | sing | 1.61Å | 1.46Å | |
| PB | O3B | doub | 1.48Å | 1.48Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | H51 | 102.4° | 109.5° |
| C6 | C5 | H52 | 138.4° | 109.5° |
| C6 | C5 | H53 | 102.4° | 109.5° |
| C5 | C6 | C7 | 138.4° | 109.5° |
| C5 | C6 | H61 | 102.4° | 109.5° |
| C5 | C6 | H62 | 102.4° | 109.5° |
| H51 | C5 | H52 | 102.4° | 109.5° |
| H51 | C5 | H53 | 105.8° | 109.5° |
| H52 | C5 | H53 | 102.3° | 109.4° |
| C7 | C6 | H61 | 102.4° | 109.5° |
| C7 | C6 | H62 | 102.4° | 109.5° |
| C6 | C7 | O7 | 140.7° | 109.5° |
| C6 | C7 | H71 | 101.7° | 109.5° |
| C6 | C7 | H72 | 101.7° | 109.5° |
| H61 | C6 | H62 | 105.8° | 109.4° |
| O7 | C7 | H71 | 101.7° | 109.5° |
| O7 | C7 | H72 | 101.6° | 109.5° |
| C7 | O7 | PA | 146.3° | 106.8° |
| H71 | C7 | H72 | 106.2° | 109.5° |
| O7 | PA | O1A | 107.7° | 109.4° |
| O7 | PA | O2A | 111.3° | 109.4° |
| O7 | PA | O3A | 114.5° | 109.5° |
| O1A | PA | O2A | 108.3° | 109.5° |
| O1A | PA | O3A | 105.2° | 109.5° |
| O2A | PA | O3A | 109.4° | 109.5° |
| PA | O2A | H2A | 111.3° | 106.8° |
| PA | O3A | PB | 142.5° | 106.8° |
| O3A | PB | O1B | 115.2° | 109.5° |
| O3A | PB | O2B | 96.5° | 109.4° |
| O3A | PB | O3B | 95.9° | 109.5° |
| O1B | PB | O2B | 119.1° | 109.5° |
| O1B | PB | O3B | 113.9° | 109.5° |
| PB | O1B | H1B | 115.2° | 106.7° |
| O2B | PB | O3B | 112.5° | 109.5° |
| PB | O2B | H2B | 96.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | H51 | H52 | 146.3° | 120.0° |
| C6 | C5 | H51 | H53 | 106.9° | 120.0° |
| C6 | C5 | H52 | H53 | 125.2° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 106.9° | 120.0° |
| C5 | C6 | C7 | O7 | 93.1° | 180.0° |
| C5 | C6 | C7 | H71 | 32.1° | 60.0° |
| C5 | C6 | C7 | H72 | 141.6° | 60.0° |
| H51 | C5 | H52 | H53 | 109.5° | 120.0° |
| H51 | C5 | C6 | C7 | 54.7° | 180.0° |
| H51 | C5 | C6 | H61 | 70.5° | 60.0° |
| H51 | C5 | C6 | H62 | 180.0° | 60.0° |
| H52 | C5 | C6 | C7 | 179.9° | 60.0° |
| H52 | C5 | C6 | H61 | 54.8° | 60.0° |
| H52 | C5 | C6 | H62 | 54.7° | 180.0° |
| H53 | C5 | C6 | C7 | 54.7° | 60.0° |
| H53 | C5 | C6 | H61 | 180.0° | 180.0° |
| H53 | C5 | C6 | H62 | 70.5° | 60.1° |
| C7 | C6 | H61 | H62 | 106.9° | 120.0° |
| C6 | C7 | O7 | H71 | 125.3° | 120.0° |
| C6 | C7 | O7 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 106.0° | 120.0° |
| C6 | C7 | O7 | PA | 51.3° | 180.0° |
| H61 | C6 | C7 | O7 | 141.6° | 60.0° |
| H61 | C6 | C7 | H71 | 93.1° | 180.0° |
| H61 | C6 | C7 | H72 | 16.4° | 60.0° |
| H62 | C6 | C7 | O7 | 32.1° | 60.0° |
| H62 | C6 | C7 | H71 | 157.4° | 60.0° |
| H62 | C6 | C7 | H72 | 93.1° | 180.0° |
| O7 | C7 | H71 | H72 | 105.9° | 120.0° |
| C7 | O7 | PA | O1A | 179.8° | 55.0° |
| C7 | O7 | PA | O2A | 61.2° | 65.0° |
| C7 | O7 | PA | O3A | 63.6° | 175.0° |
| H71 | C7 | O7 | PA | 74.0° | 60.0° |
| H72 | C7 | O7 | PA | 176.5° | 60.0° |
| O7 | PA | O1A | O2A | 120.5° | 119.9° |
| O7 | PA | O1A | O3A | 122.6° | 120.0° |
| O7 | PA | O2A | O3A | 127.5° | 120.0° |
| O7 | PA | O2A | H2A | 180.0° | 60.1° |
| O7 | PA | O3A | PB | 22.1° | 165.0° |
| O1A | PA | O2A | O3A | 114.2° | 120.1° |
| O1A | PA | O2A | H2A | 61.7° | 180.0° |
| O1A | PA | O3A | PB | 96.0° | 45.1° |
| O2A | PA | O3A | PB | 147.8° | 75.0° |
| O3A | PA | O2A | H2A | 52.5° | 59.9° |
| PA | O3A | PB | O1B | 53.9° | 165.0° |
| PA | O3A | PB | O2B | 179.6° | 75.0° |
| PA | O3A | PB | O3B | 66.0° | 45.0° |
| O3A | PB | O1B | O2B | 113.9° | 120.0° |
| O3A | PB | O1B | O3B | 109.5° | 120.0° |
| O3A | PB | O2B | O3B | 99.2° | 120.0° |
| O3A | PB | O1B | H1B | 180.0° | 180.0° |
| O3A | PB | O2B | H2B | 180.0° | 60.0° |
| O1B | PB | O2B | O3B | 137.1° | 120.1° |
| O1B | PB | O2B | H2B | 56.4° | 60.0° |
| O2B | PB | O1B | H1B | 66.1° | 60.1° |
| O3B | PB | O1B | H1B | 70.5° | 60.0° |
| O3B | PB | O2B | H2B | 80.7° | 180.0° |
