DP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3A | C3 | sing | 1.53Å | 1.53Å | |
| C3A | H3A1 | sing | 1.10Å | 1.10Å | |
| C3A | H3A2 | sing | 1.09Å | 1.10Å | |
| C3A | H3A3 | sing | 1.10Å | 1.10Å | |
| O1A | PA | doub | 1.50Å | 1.48Å | |
| O2A | PA | sing | 1.62Å | 1.49Å | |
| O2A | HO2A | sing | 0.98Å | 0.95Å | |
| O3A | C3 | sing | 1.43Å | 1.43Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| O1B | PB | doub | 1.50Å | 1.48Å | |
| O2B | PB | sing | 1.62Å | 1.60Å | |
| O2B | HO2B | sing | 0.98Å | 0.95Å | |
| O3B | PB | sing | 1.62Å | 1.61Å | |
| O3B | HO3B | sing | 0.98Å | 0.95Å | |
| PB | O6 | sing | 1.62Å | 1.61Å | |
| O6 | PA | sing | 1.62Å | 1.61Å | |
| PA | O5 | sing | 1.62Å | 1.61Å | |
| O5 | C5 | sing | 1.42Å | 1.43Å | |
| C5 | C4 | sing | 1.52Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.36Å | 1.23Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C3A | H3A1 | 109.5° | 110.7° |
| C3 | C3A | H3A2 | 109.5° | 112.1° |
| C3 | C3A | H3A3 | 109.5° | 110.9° |
| C3A | C3 | O3A | 109.1° | 106.7° |
| C3A | C3 | C4 | 108.6° | 111.4° |
| C3A | C3 | C2 | 110.2° | 109.2° |
| H3A1 | C3A | H3A2 | 109.5° | 108.2° |
| H3A1 | C3A | H3A3 | 109.4° | 106.3° |
| H3A2 | C3A | H3A3 | 109.5° | 108.5° |
| O1A | PA | O2A | 117.9° | 114.3° |
| O1A | PA | O6 | 110.0° | 114.2° |
| O1A | PA | O5 | 110.2° | 114.6° |
| PA | O2A | HO2A | 109.5° | 118.9° |
| O2A | PA | O6 | 108.0° | 103.3° |
| O2A | PA | O5 | 108.9° | 104.6° |
| C3 | O3A | HO3A | 109.5° | 106.1° |
| O3A | C3 | C4 | 108.2° | 107.6° |
| O3A | C3 | C2 | 109.8° | 107.6° |
| O1B | PB | O2B | 112.4° | 115.3° |
| O1B | PB | O3B | 113.4° | 115.3° |
| O1B | PB | O6 | 113.0° | 114.6° |
| PB | O2B | HO2B | 109.5° | 118.9° |
| O2B | PB | O3B | 106.5° | 103.6° |
| O2B | PB | O6 | 104.7° | 103.1° |
| PB | O3B | HO3B | 109.5° | 119.0° |
| O3B | PB | O6 | 106.1° | 103.4° |
| PB | O6 | PA | 122.5° | 131.0° |
| O6 | PA | O5 | 100.5° | 104.6° |
| PA | O5 | C5 | 121.0° | 119.8° |
| O5 | C5 | C4 | 108.4° | 108.6° |
| O5 | C5 | H51 | 109.8° | 108.0° |
| O5 | C5 | H52 | 110.0° | 108.0° |
| C4 | C5 | H51 | 109.8° | 111.3° |
| C4 | C5 | H52 | 110.1° | 111.6° |
| C5 | C4 | C3 | 113.9° | 115.6° |
| C5 | C4 | H41 | 108.0° | 108.8° |
| C5 | C4 | H42 | 107.0° | 109.3° |
| H51 | C5 | H52 | 108.7° | 109.1° |
| C3 | C4 | H41 | 108.0° | 109.4° |
| C3 | C4 | H42 | 107.0° | 109.9° |
| C4 | C3 | C2 | 110.8° | 114.0° |
| H41 | C4 | H42 | 113.0° | 103.1° |
| C3 | C2 | C1 | 115.2° | 113.8° |
| C3 | C2 | H21 | 107.6° | 110.9° |
| C3 | C2 | H22 | 106.3° | 110.9° |
| C1 | C2 | H21 | 107.6° | 107.4° |
| C1 | C2 | H22 | 106.3° | 107.3° |
| C2 | C1 | O1 | 120.9° | 124.0° |
| C2 | C1 | O2 | 120.5° | 112.7° |
| H21 | C2 | H22 | 114.0° | 106.0° |
| O1 | C1 | O2 | 118.6° | 123.3° |
| C1 | O2 | HO2 | 109.5° | 114.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C3A | H3A1 | H3A2 | 120.0° | 123.2° |
| C3 | C3A | H3A1 | H3A3 | 120.0° | 120.5° |
| C3 | C3A | H3A2 | H3A3 | 120.0° | 122.8° |
| C3A | C3 | O3A | C4 | 118.0° | 119.7° |
| C3A | C3 | O3A | C2 | 120.9° | 117.1° |
| C3A | C3 | O3A | HO3A | 37.9° | 13.5° |
| C3A | C3 | C4 | C5 | 83.1° | 56.9° |
| C3A | C3 | C4 | C2 | 121.2° | 124.1° |
| C3A | C3 | C4 | H41 | 36.9° | 180.0° |
| C3A | C3 | C4 | H42 | 158.8° | 67.4° |
| C3A | C3 | C2 | C1 | 169.4° | 180.0° |
| C3A | C3 | C2 | H21 | 49.4° | 58.7° |
| C3A | C3 | C2 | H22 | 73.2° | 58.8° |
| H3A1 | C3A | H3A2 | H3A3 | 120.0° | 115.0° |
| H3A1 | C3A | C3 | O3A | 146.1° | 177.6° |
| H3A1 | C3A | C3 | C4 | 96.2° | 65.2° |
| H3A1 | C3A | C3 | C2 | 25.4° | 61.6° |
| H3A2 | C3A | C3 | O3A | 93.9° | 56.7° |
| H3A2 | C3A | C3 | C4 | 23.9° | 174.0° |
| H3A2 | C3A | C3 | C2 | 145.4° | 59.3° |
| H3A3 | C3A | C3 | O3A | 26.1° | 64.6° |
| H3A3 | C3A | C3 | C4 | 143.9° | 52.6° |
| H3A3 | C3A | C3 | C2 | 94.5° | 179.3° |
| O1A | PA | O2A | O6 | 125.3° | 124.7° |
| O1A | PA | O2A | O5 | 126.4° | 126.1° |
| O1A | PA | O2A | HO2A | 42.8° | 46.0° |
| O1A | PA | O6 | PB | 54.6° | 60.0° |
| O1A | PA | O6 | O5 | 116.1° | 126.1° |
| O1A | PA | O5 | C5 | 44.5° | 180.0° |
| O2A | PA | O6 | PB | 75.3° | 175.3° |
| O2A | PA | O6 | O5 | 114.0° | 109.2° |
| O2A | PA | O5 | C5 | 175.3° | 54.0° |
| HO2A | O2A | PA | O6 | 82.5° | 170.6° |
| HO2A | O2A | PA | O5 | 169.2° | 80.1° |
| O3A | C3 | C4 | C5 | 158.5° | 173.6° |
| O3A | C3 | C4 | C2 | 120.5° | 119.2° |
| O3A | C3 | C4 | H41 | 81.5° | 63.3° |
| O3A | C3 | C4 | H42 | 40.5° | 49.3° |
| O3A | C3 | C2 | C1 | 49.2° | 64.5° |
| O3A | C3 | C2 | H21 | 70.8° | 56.8° |
| O3A | C3 | C2 | H22 | 166.6° | 174.3° |
| HO3A | O3A | C3 | C4 | 80.1° | 133.1° |
| HO3A | O3A | C3 | C2 | 158.8° | 103.6° |
| O1B | PB | O2B | O3B | 124.8° | 126.8° |
| O1B | PB | O2B | O6 | 123.1° | 125.7° |
| O1B | PB | O2B | HO2B | 146.6° | 48.4° |
| O1B | PB | O3B | O6 | 124.6° | 125.9° |
| O1B | PB | O3B | HO3B | 32.8° | 48.9° |
| O1B | PB | O6 | PA | 20.5° | 60.0° |
| O2B | PB | O3B | O6 | 111.2° | 107.3° |
| O2B | PB | O3B | HO3B | 91.4° | 77.9° |
| O2B | PB | O6 | PA | 143.1° | 173.9° |
| HO2B | O2B | PB | O3B | 88.6° | 78.4° |
| HO2B | O2B | PB | O6 | 23.6° | 174.1° |
| O3B | PB | O6 | PA | 104.4° | 66.3° |
| HO3B | O3B | PB | O6 | 157.4° | 174.8° |
| PB | O6 | PA | O5 | 170.7° | 66.1° |
| O6 | PA | O5 | C5 | 71.4° | 54.2° |
| PA | O5 | C5 | C4 | 162.3° | 180.0° |
| PA | O5 | C5 | H51 | 42.3° | 59.1° |
| PA | O5 | C5 | H52 | 77.3° | 58.8° |
| O5 | C5 | C4 | H51 | 120.0° | 118.8° |
| O5 | C5 | C4 | H52 | 120.4° | 119.0° |
| O5 | C5 | H51 | H52 | 120.4° | 117.2° |
| O5 | C5 | C4 | C3 | 179.8° | 178.8° |
| O5 | C5 | C4 | H41 | 60.1° | 55.4° |
| O5 | C5 | C4 | H42 | 61.8° | 56.5° |
| C4 | C5 | H51 | H52 | 120.4° | 123.6° |
| C5 | C4 | C3 | H41 | 120.0° | 123.1° |
| C5 | C4 | C3 | H42 | 118.0° | 124.3° |
| C5 | C4 | H41 | H42 | 118.2° | 116.0° |
| C5 | C4 | C3 | C2 | 38.1° | 67.2° |
| H51 | C5 | C4 | C3 | 59.9° | 60.0° |
| H51 | C5 | C4 | H41 | 179.9° | 63.4° |
| H51 | C5 | C4 | H42 | 58.2° | 175.4° |
| H52 | C5 | C4 | C3 | 59.8° | 62.2° |
| H52 | C5 | C4 | H41 | 60.2° | 174.3° |
| H52 | C5 | C4 | H42 | 177.8° | 62.4° |
| C3 | C4 | H41 | H42 | 118.2° | 116.9° |
| C4 | C3 | C2 | C1 | 70.3° | 54.7° |
| C4 | C3 | C2 | H21 | 169.6° | 176.0° |
| C4 | C3 | C2 | H22 | 47.1° | 66.4° |
| H41 | C4 | C3 | C2 | 158.1° | 55.9° |
| H42 | C4 | C3 | C2 | 80.0° | 168.5° |
| C3 | C2 | C1 | H21 | 120.0° | 123.2° |
| C3 | C2 | C1 | H22 | 117.4° | 123.1° |
| C3 | C2 | H21 | H22 | 117.7° | 120.5° |
| C3 | C2 | C1 | O1 | 139.8° | 63.3° |
| C3 | C2 | C1 | O2 | 41.4° | 116.8° |
| C1 | C2 | H21 | H22 | 117.7° | 114.5° |
| C2 | C1 | O1 | O2 | 178.9° | 180.0° |
| C2 | C1 | O2 | HO2 | 178.8° | 180.0° |
| H21 | C2 | C1 | O1 | 100.2° | 59.9° |
| H21 | C2 | C1 | O2 | 78.6° | 120.0° |
| H22 | C2 | C1 | O1 | 22.3° | 173.6° |
| H22 | C2 | C1 | O2 | 158.8° | 6.4° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
