DMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| O1 | PA | sing | 1.61Å | 1.62Å | |
| C2 | C3 | doub | 1.31Å | 1.33Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C5 | sing | 1.51Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| PA | O1A | doub | 1.48Å | 1.60Å | |
| PA | O2A | sing | 1.61Å | 1.61Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.57Å | |
| PB | O1B | doub | 1.48Å | 1.60Å | |
| PB | O2B | sing | 1.61Å | 1.61Å | |
| PB | O3B | sing | 1.61Å | 1.59Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 107.1° | 109.4° |
| O1 | C1 | H11 | 113.0° | 109.4° |
| O1 | C1 | H12 | 113.1° | 109.4° |
| C1 | O1 | PA | 123.4° | 106.8° |
| C2 | C1 | H11 | 113.1° | 109.5° |
| C2 | C1 | H12 | 113.1° | 109.5° |
| C1 | C2 | C3 | 124.7° | 120.0° |
| C1 | C2 | H2 | 124.2° | 120.0° |
| H11 | C1 | H12 | 97.4° | 109.5° |
| O1 | PA | O1A | 110.5° | 109.4° |
| O1 | PA | O2A | 102.0° | 109.5° |
| O1 | PA | O3A | 115.4° | 109.4° |
| C3 | C2 | H2 | 111.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | C5 | 115.5° | 120.0° |
| C4 | C3 | C5 | 124.2° | 120.0° |
| C3 | C4 | H41 | 120.3° | 109.5° |
| C3 | C4 | H42 | 108.4° | 109.5° |
| C3 | C4 | H43 | 108.4° | 109.5° |
| C3 | C5 | H51 | 115.5° | 109.5° |
| C3 | C5 | H52 | 110.1° | 109.5° |
| C3 | C5 | H53 | 110.0° | 109.5° |
| H41 | C4 | H42 | 108.3° | 109.4° |
| H41 | C4 | H43 | 108.4° | 109.5° |
| H42 | C4 | H43 | 101.6° | 109.5° |
| H51 | C5 | H52 | 110.0° | 109.4° |
| H51 | C5 | H53 | 110.0° | 109.5° |
| H52 | C5 | H53 | 100.2° | 109.4° |
| O1A | PA | O2A | 110.7° | 109.5° |
| O1A | PA | O3A | 104.6° | 109.5° |
| O2A | PA | O3A | 113.8° | 109.5° |
| PA | O2A | HOA2 | 102.0° | 106.8° |
| PA | O3A | PB | 126.9° | 106.8° |
| O3A | PB | O1B | 114.7° | 109.5° |
| O3A | PB | O2B | 107.1° | 109.5° |
| O3A | PB | O3B | 103.1° | 109.5° |
| O1B | PB | O2B | 111.8° | 109.4° |
| O1B | PB | O3B | 108.3° | 109.4° |
| O2B | PB | O3B | 111.5° | 109.5° |
| PB | O2B | HOB2 | 107.0° | 106.9° |
| PB | O3B | HOB3 | 103.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.2° | 119.9° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 119.0° | 120.0° |
| O1 | C1 | C2 | C3 | 129.6° | 135.6° |
| O1 | C1 | C2 | H2 | 50.3° | 44.5° |
| C1 | O1 | PA | O1A | 44.2° | 60.0° |
| C1 | O1 | PA | O2A | 161.9° | 60.0° |
| C1 | O1 | PA | O3A | 74.2° | 180.0° |
| C2 | C1 | H11 | H12 | 119.0° | 120.1° |
| C2 | C1 | O1 | PA | 157.5° | 180.0° |
| C1 | C2 | C3 | H2 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 3.1° | 174.2° |
| C1 | C2 | C3 | C5 | 179.0° | 5.7° |
| H11 | C1 | O1 | PA | 77.2° | 60.0° |
| H11 | C1 | C2 | C3 | 4.4° | 104.4° |
| H11 | C1 | C2 | H2 | 175.5° | 75.4° |
| H12 | C1 | O1 | PA | 32.3° | 60.0° |
| H12 | C1 | C2 | C3 | 105.1° | 15.7° |
| H12 | C1 | C2 | H2 | 75.0° | 164.5° |
| O1 | PA | O1A | O2A | 112.2° | 120.0° |
| O1 | PA | O1A | O3A | 124.8° | 119.9° |
| O1 | PA | O2A | O3A | 124.9° | 120.0° |
| O1 | PA | O2A | HOA2 | 180.0° | 60.0° |
| O1 | PA | O3A | PB | 37.4° | 180.0° |
| C2 | C3 | C4 | C5 | 177.7° | 179.9° |
| C2 | C3 | C4 | H41 | 179.9° | 180.0° |
| C2 | C3 | C4 | H42 | 54.8° | 60.1° |
| C2 | C3 | C4 | H43 | 54.7° | 59.9° |
| C2 | C3 | C5 | H51 | 179.9° | 55.0° |
| C2 | C3 | C5 | H52 | 54.7° | 174.9° |
| C2 | C3 | C5 | H53 | 54.8° | 65.1° |
| H2 | C2 | C3 | C4 | 177.0° | 6.0° |
| H2 | C2 | C3 | C5 | 0.9° | 174.1° |
| C3 | C4 | H41 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H43 | 125.3° | 120.1° |
| C3 | C4 | H42 | H43 | 114.0° | 120.0° |
| C4 | C3 | C5 | H51 | 2.2° | 125.1° |
| C4 | C3 | C5 | H52 | 123.1° | 5.2° |
| C4 | C3 | C5 | H53 | 127.4° | 114.8° |
| C5 | C3 | C4 | H41 | 2.3° | 0.1° |
| C5 | C3 | C4 | H42 | 127.5° | 120.0° |
| C5 | C3 | C4 | H43 | 123.0° | 120.0° |
| C3 | C5 | H51 | H52 | 125.3° | 120.0° |
| C3 | C5 | H51 | H53 | 125.2° | 120.1° |
| C3 | C5 | H52 | H53 | 115.8° | 120.1° |
| H41 | C4 | H42 | H43 | 114.0° | 119.9° |
| H51 | C5 | H52 | H53 | 115.8° | 119.9° |
| O1A | PA | O2A | O3A | 117.5° | 120.1° |
| O1A | PA | O2A | HOA2 | 62.4° | 180.0° |
| O1A | PA | O3A | PB | 159.1° | 60.1° |
| O2A | PA | O3A | PB | 80.0° | 60.0° |
| O3A | PA | O2A | HOA2 | 55.1° | 60.0° |
| PA | O3A | PB | O1B | 126.1° | 60.0° |
| PA | O3A | PB | O2B | 109.1° | 179.9° |
| PA | O3A | PB | O3B | 8.6° | 60.0° |
| O3A | PB | O1B | O2B | 122.2° | 120.0° |
| O3A | PB | O1B | O3B | 114.6° | 120.0° |
| O3A | PB | O2B | O3B | 112.1° | 120.1° |
| O3A | PB | O2B | HOB2 | 179.9° | 180.0° |
| O3A | PB | O3B | HOB3 | 180.0° | 60.0° |
| O1B | PB | O2B | O3B | 121.4° | 119.9° |
| O1B | PB | O2B | HOB2 | 53.6° | 60.0° |
| O1B | PB | O3B | HOB3 | 58.0° | 180.0° |
| O2B | PB | O3B | HOB3 | 65.4° | 60.0° |
| O3B | PB | O2B | HOB2 | 67.8° | 59.9° |
