P25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | CM4 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| CM4 | HM41 | sing | 1.09Å | 1.11Å | |
| CM4 | HM42 | sing | 1.09Å | 1.11Å | |
| CM4 | HM43 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.48Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O7 | PA | sing | 1.61Å | 1.46Å | |
| PA | O1A | doub | 1.48Å | 1.40Å | |
| PA | O2A | sing | 1.61Å | 1.42Å | |
| PA | O3A | sing | 1.61Å | 1.57Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.58Å | |
| PB | O1B | doub | 1.48Å | 1.42Å | |
| PB | O2B | sing | 1.61Å | 1.45Å | |
| PB | O3B | sing | 1.61Å | 1.51Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM4 | C4 | C5 | 120.7° | 109.5° |
| CM4 | C4 | H41 | 108.2° | 109.5° |
| CM4 | C4 | H42 | 108.2° | 109.5° |
| C4 | CM4 | HM41 | 108.2° | 109.5° |
| C4 | CM4 | HM42 | 120.7° | 109.5° |
| C4 | CM4 | HM43 | 108.2° | 109.5° |
| C5 | C4 | H41 | 108.2° | 109.5° |
| C5 | C4 | H42 | 108.2° | 109.4° |
| C4 | C5 | C6 | 126.5° | 109.5° |
| C4 | C5 | H51 | 106.2° | 109.5° |
| C4 | C5 | H52 | 106.2° | 109.5° |
| H41 | C4 | H42 | 101.7° | 109.4° |
| HM41 | CM4 | HM42 | 108.2° | 109.4° |
| HM41 | CM4 | HM43 | 101.7° | 109.5° |
| HM42 | CM4 | HM43 | 108.2° | 109.4° |
| C6 | C5 | H51 | 106.2° | 109.5° |
| C6 | C5 | H52 | 106.2° | 109.5° |
| C5 | C6 | C7 | 127.6° | 109.4° |
| C5 | C6 | H61 | 105.9° | 109.5° |
| C5 | C6 | H62 | 105.9° | 109.5° |
| H51 | C5 | H52 | 103.3° | 109.5° |
| C7 | C6 | H61 | 105.8° | 109.4° |
| C7 | C6 | H62 | 105.8° | 109.5° |
| C6 | C7 | O7 | 160.7° | 109.4° |
| C6 | C7 | H71 | 95.6° | 109.4° |
| C6 | C7 | H72 | 95.6° | 109.5° |
| H61 | C6 | H62 | 103.5° | 109.5° |
| O7 | C7 | H71 | 95.6° | 109.4° |
| O7 | C7 | H72 | 95.6° | 109.5° |
| C7 | O7 | PA | 120.8° | 106.8° |
| H71 | C7 | H72 | 108.7° | 109.5° |
| O7 | PA | O1A | 108.1° | 109.5° |
| O7 | PA | O2A | 113.4° | 109.5° |
| O7 | PA | O3A | 109.7° | 109.5° |
| O1A | PA | O2A | 105.9° | 109.4° |
| O1A | PA | O3A | 108.4° | 109.5° |
| O2A | PA | O3A | 111.2° | 109.5° |
| PA | O2A | H2A | 113.4° | 106.8° |
| PA | O3A | PB | 134.9° | 106.8° |
| O3A | PB | O1B | 106.6° | 109.5° |
| O3A | PB | O2B | 102.7° | 109.4° |
| O3A | PB | O3B | 102.0° | 109.5° |
| O1B | PB | O2B | 116.2° | 109.5° |
| O1B | PB | O3B | 115.7° | 109.5° |
| O2B | PB | O3B | 111.5° | 109.5° |
| PB | O2B | H2B | 102.7° | 106.8° |
| PB | O3B | H3B | 102.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM4 | C4 | C5 | H41 | 125.3° | 120.0° |
| CM4 | C4 | C5 | H42 | 125.3° | 120.1° |
| CM4 | C4 | H41 | H42 | 113.8° | 120.1° |
| C4 | CM4 | HM41 | HM42 | 132.4° | 120.1° |
| C4 | CM4 | HM41 | HM43 | 113.8° | 120.0° |
| C4 | CM4 | HM42 | HM43 | 125.3° | 120.0° |
| CM4 | C4 | C5 | C6 | 180.0° | 180.0° |
| CM4 | C4 | C5 | H51 | 54.8° | 60.0° |
| CM4 | C4 | C5 | H52 | 54.7° | 60.0° |
| C5 | C4 | H41 | H42 | 113.8° | 119.9° |
| C5 | C4 | CM4 | HM41 | 54.7° | 180.0° |
| C5 | C4 | CM4 | HM42 | 180.0° | 60.0° |
| C5 | C4 | CM4 | HM43 | 54.7° | 60.0° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 111.6° | 120.0° |
| C4 | C5 | C6 | C7 | 170.5° | 180.0° |
| C4 | C5 | C6 | H61 | 45.3° | 60.0° |
| C4 | C5 | C6 | H62 | 64.2° | 60.0° |
| H41 | C4 | CM4 | HM41 | 70.5° | 60.0° |
| H41 | C4 | CM4 | HM42 | 54.7° | 60.0° |
| H41 | C4 | CM4 | HM43 | 180.0° | 180.0° |
| H41 | C4 | C5 | C6 | 54.7° | 60.0° |
| H41 | C4 | C5 | H51 | 180.0° | 180.0° |
| H41 | C4 | C5 | H52 | 70.6° | 60.0° |
| H42 | C4 | CM4 | HM41 | 180.0° | 60.0° |
| H42 | C4 | CM4 | HM42 | 54.7° | 180.0° |
| H42 | C4 | CM4 | HM43 | 70.5° | 60.0° |
| H42 | C4 | C5 | C6 | 54.7° | 59.9° |
| H42 | C4 | C5 | H51 | 70.5° | 60.1° |
| H42 | C4 | C5 | H52 | 180.0° | 179.9° |
| HM41 | CM4 | HM42 | HM43 | 109.4° | 119.9° |
| C6 | C5 | H51 | H52 | 111.6° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 119.9° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 111.1° | 120.0° |
| C5 | C6 | C7 | O7 | 180.0° | 180.0° |
| C5 | C6 | C7 | H71 | 54.7° | 60.1° |
| C5 | C6 | C7 | H72 | 54.7° | 60.0° |
| H51 | C5 | C6 | C7 | 64.2° | 60.0° |
| H51 | C5 | C6 | H61 | 170.5° | 180.0° |
| H51 | C5 | C6 | H62 | 61.1° | 60.0° |
| H52 | C5 | C6 | C7 | 45.3° | 60.0° |
| H52 | C5 | C6 | H61 | 80.0° | 60.0° |
| H52 | C5 | C6 | H62 | 170.5° | 180.0° |
| C7 | C6 | H61 | H62 | 111.1° | 120.1° |
| C6 | C7 | O7 | H71 | 125.3° | 119.9° |
| C6 | C7 | O7 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 97.9° | 120.1° |
| C6 | C7 | O7 | PA | 109.8° | 180.0° |
| H61 | C6 | C7 | O7 | 54.7° | 60.1° |
| H61 | C6 | C7 | H71 | 180.0° | 180.0° |
| H61 | C6 | C7 | H72 | 70.5° | 60.0° |
| H62 | C6 | C7 | O7 | 54.7° | 60.0° |
| H62 | C6 | C7 | H71 | 70.5° | 60.0° |
| H62 | C6 | C7 | H72 | 180.0° | 180.0° |
| O7 | C7 | H71 | H72 | 97.9° | 120.0° |
| C7 | O7 | PA | O1A | 179.7° | 55.0° |
| C7 | O7 | PA | O2A | 63.3° | 64.9° |
| C7 | O7 | PA | O3A | 61.7° | 175.1° |
| H71 | C7 | O7 | PA | 125.0° | 60.1° |
| H72 | C7 | O7 | PA | 15.5° | 60.0° |
| O7 | PA | O1A | O2A | 121.8° | 119.9° |
| O7 | PA | O1A | O3A | 118.9° | 120.1° |
| O7 | PA | O2A | O3A | 124.2° | 120.0° |
| O7 | PA | O2A | H2A | 180.0° | 60.1° |
| O7 | PA | O3A | PB | 53.9° | 165.0° |
| O1A | PA | O2A | O3A | 117.5° | 120.0° |
| O1A | PA | O2A | H2A | 61.7° | 180.0° |
| O1A | PA | O3A | PB | 63.9° | 45.0° |
| O2A | PA | O3A | PB | 179.9° | 75.0° |
| O3A | PA | O2A | H2A | 55.8° | 60.0° |
| PA | O3A | PB | O1B | 91.8° | 45.0° |
| PA | O3A | PB | O2B | 145.5° | 165.0° |
| PA | O3A | PB | O3B | 29.9° | 75.0° |
| O3A | PB | O1B | O2B | 113.7° | 120.0° |
| O3A | PB | O1B | O3B | 112.6° | 120.1° |
| O3A | PB | O2B | O3B | 108.5° | 120.0° |
| O3A | PB | O2B | H2B | 180.0° | 180.0° |
| O3A | PB | O3B | H3B | 180.0° | 60.0° |
| O1B | PB | O2B | O3B | 135.6° | 120.0° |
| O1B | PB | O2B | H2B | 64.1° | 60.0° |
| O1B | PB | O3B | H3B | 64.8° | 180.0° |
| O2B | PB | O3B | H3B | 71.0° | 60.0° |
| O3B | PB | O2B | H2B | 71.5° | 60.0° |
