HBU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.34Å | 1.23Å | |
| O1 | HO11 | sing | 0.97Å | 0.95Å | |
| C2 | O3 | doub | 1.21Å | 1.21Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C5 | O8 | doub | 1.21Å | 1.19Å | |
| C5 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | P10 | sing | 1.82Å | 1.86Å | |
| C9 | HC91 | sing | 1.09Å | 1.12Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| P10 | O13 | doub | 1.48Å | 1.48Å | |
| P10 | O14 | sing | 1.61Å | 1.47Å | |
| P10 | C15 | sing | 1.82Å | 1.63Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO11 | 117.5° | 120.1° |
| O1 | C2 | O3 | 117.5° | 120.0° |
| O1 | C2 | C4 | 118.5° | 120.0° |
| O3 | C2 | C4 | 124.0° | 120.0° |
| C2 | C4 | C5 | 113.9° | 109.5° |
| C2 | C4 | HC41 | 110.6° | 109.5° |
| C2 | C4 | HC42 | 110.6° | 109.5° |
| C5 | C4 | HC41 | 110.6° | 109.5° |
| C5 | C4 | HC42 | 110.6° | 109.4° |
| C4 | C5 | O8 | 126.6° | 120.0° |
| C4 | C5 | C9 | 117.2° | 120.0° |
| HC41 | C4 | HC42 | 99.7° | 109.4° |
| O8 | C5 | C9 | 116.1° | 120.0° |
| C5 | C9 | P10 | 107.4° | 109.5° |
| C5 | C9 | HC91 | 113.0° | 109.5° |
| C5 | C9 | HC92 | 113.0° | 109.5° |
| P10 | C9 | HC91 | 113.0° | 109.4° |
| P10 | C9 | HC92 | 113.0° | 109.5° |
| C9 | P10 | O13 | 108.6° | 109.4° |
| C9 | P10 | O14 | 108.7° | 109.5° |
| C9 | P10 | C15 | 103.5° | 109.5° |
| HC91 | C9 | HC92 | 97.4° | 109.5° |
| O13 | P10 | O14 | 113.7° | 109.5° |
| O13 | P10 | C15 | 112.9° | 109.5° |
| O14 | P10 | C15 | 108.9° | 109.5° |
| P10 | O14 | H141 | 108.7° | 106.8° |
| P10 | C15 | H151 | 103.5° | 109.5° |
| P10 | C15 | H152 | 114.5° | 109.5° |
| P10 | C15 | H153 | 114.5° | 109.4° |
| H151 | C15 | H152 | 114.4° | 109.5° |
| H151 | C15 | H153 | 114.5° | 109.4° |
| H152 | C15 | H153 | 96.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | O3 | C4 | 178.7° | 180.0° |
| O1 | C2 | C4 | C5 | 45.3° | 180.0° |
| O1 | C2 | C4 | HC41 | 80.0° | 60.0° |
| O1 | C2 | C4 | HC42 | 170.5° | 60.0° |
| HO11 | O1 | C2 | O3 | 179.9° | 0.0° |
| HO11 | O1 | C2 | C4 | 1.2° | 180.0° |
| O3 | C2 | C4 | C5 | 133.4° | 0.1° |
| O3 | C2 | C4 | HC41 | 101.3° | 119.9° |
| O3 | C2 | C4 | HC42 | 8.2° | 120.1° |
| C2 | C4 | C5 | HC41 | 125.3° | 120.0° |
| C2 | C4 | C5 | HC42 | 125.3° | 120.0° |
| C2 | C4 | HC41 | HC42 | 116.5° | 120.1° |
| C2 | C4 | C5 | O8 | 63.1° | 0.1° |
| C2 | C4 | C5 | C9 | 114.2° | 180.0° |
| C5 | C4 | HC41 | HC42 | 116.4° | 119.9° |
| C4 | C5 | O8 | C9 | 177.3° | 179.9° |
| C4 | C5 | C9 | P10 | 98.3° | 179.9° |
| C4 | C5 | C9 | HC91 | 136.4° | 60.0° |
| C4 | C5 | C9 | HC92 | 26.9° | 60.0° |
| HC41 | C4 | C5 | O8 | 62.2° | 119.9° |
| HC41 | C4 | C5 | C9 | 120.5° | 60.0° |
| HC42 | C4 | C5 | O8 | 171.7° | 120.1° |
| HC42 | C4 | C5 | C9 | 11.1° | 60.0° |
| O8 | C5 | C9 | P10 | 79.2° | 0.0° |
| O8 | C5 | C9 | HC91 | 46.0° | 119.9° |
| O8 | C5 | C9 | HC92 | 155.5° | 120.1° |
| C5 | C9 | P10 | HC91 | 125.3° | 120.0° |
| C5 | C9 | P10 | HC92 | 125.3° | 120.1° |
| C5 | C9 | HC91 | HC92 | 118.9° | 120.1° |
| C5 | C9 | P10 | O13 | 81.9° | 60.0° |
| C5 | C9 | P10 | O14 | 42.2° | 60.0° |
| C5 | C9 | P10 | C15 | 157.9° | 180.0° |
| P10 | C9 | HC91 | HC92 | 118.9° | 120.0° |
| C9 | P10 | O13 | O14 | 121.1° | 120.0° |
| C9 | P10 | O13 | C15 | 114.1° | 120.0° |
| C9 | P10 | O14 | C15 | 112.1° | 120.1° |
| C9 | P10 | O14 | H141 | 180.0° | 60.0° |
| C9 | P10 | C15 | H151 | 180.0° | 180.0° |
| C9 | P10 | C15 | H152 | 54.7° | 59.9° |
| C9 | P10 | C15 | H153 | 54.7° | 60.1° |
| HC91 | C9 | P10 | O13 | 43.4° | 180.0° |
| HC91 | C9 | P10 | O14 | 167.5° | 60.0° |
| HC91 | C9 | P10 | C15 | 76.8° | 60.1° |
| HC92 | C9 | P10 | O13 | 152.8° | 60.0° |
| HC92 | C9 | P10 | O14 | 83.1° | 180.0° |
| HC92 | C9 | P10 | C15 | 32.6° | 59.9° |
| O13 | P10 | O14 | C15 | 126.8° | 120.0° |
| O13 | P10 | O14 | H141 | 59.0° | 180.0° |
| O13 | P10 | C15 | H151 | 62.8° | 60.1° |
| O13 | P10 | C15 | H152 | 62.4° | 60.0° |
| O13 | P10 | C15 | H153 | 171.9° | 180.0° |
| O14 | P10 | C15 | H151 | 64.4° | 59.9° |
| O14 | P10 | C15 | H152 | 170.3° | 179.9° |
| O14 | P10 | C15 | H153 | 60.8° | 60.0° |
| C15 | P10 | O14 | H141 | 67.8° | 60.0° |
| P10 | C15 | H151 | H152 | 125.3° | 120.1° |
| P10 | C15 | H151 | H153 | 125.3° | 119.9° |
| P10 | C15 | H152 | H153 | 120.4° | 119.9° |
| H151 | C15 | H152 | H153 | 120.3° | 120.0° |
