DHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NP1 | C02 | sing | 1.47Å | 1.53Å | |
| NP1 | HP11 | sing | 1.01Å | 1.02Å | |
| NP1 | HP12 | sing | 1.01Å | 1.02Å | |
| C02 | C03 | sing | 1.51Å | 1.50Å | |
| C02 | C06 | sing | 1.53Å | 1.59Å | |
| C02 | H02 | sing | 1.09Å | 1.11Å | |
| C03 | O04 | sing | 1.34Å | 1.21Å | |
| C03 | O05 | doub | 1.21Å | 1.33Å | |
| O04 | H04 | sing | 0.97Å | 0.95Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C06 | H061 | sing | 1.09Å | 1.12Å | |
| C06 | H062 | sing | 1.09Å | 1.12Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | H071 | sing | 1.09Å | 1.11Å | |
| C07 | H072 | sing | 1.09Å | 1.11Å | |
| C08 | C09 | sing | 1.53Å | 1.50Å | |
| C08 | H081 | sing | 1.09Å | 1.11Å | |
| C08 | H082 | sing | 1.09Å | 1.12Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | H091 | sing | 1.09Å | 1.12Å | |
| C09 | H092 | sing | 1.09Å | 1.11Å | |
| C10 | O1 | sing | 1.43Å | 1.41Å | |
| C10 | O2 | sing | 1.43Å | 1.42Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | NP1 | HP11 | 113.0° | 106.7° |
| C02 | NP1 | HP12 | 110.9° | 106.7° |
| NP1 | C02 | C03 | 113.0° | 109.5° |
| NP1 | C02 | C06 | 108.5° | 109.5° |
| NP1 | C02 | H02 | 109.9° | 109.5° |
| HP11 | NP1 | HP12 | 110.8° | 106.7° |
| C03 | C02 | C06 | 115.0° | 109.4° |
| C03 | C02 | H02 | 102.5° | 109.5° |
| C02 | C03 | O04 | 126.4° | 120.0° |
| C02 | C03 | O05 | 109.9° | 120.0° |
| C06 | C02 | H02 | 107.6° | 109.4° |
| C02 | C06 | C07 | 112.4° | 109.5° |
| C02 | C06 | H061 | 111.2° | 109.4° |
| C02 | C06 | H062 | 111.2° | 109.5° |
| O04 | C03 | O05 | 123.6° | 120.0° |
| C03 | O04 | H04 | 126.3° | 120.0° |
| C07 | C06 | H061 | 111.1° | 109.4° |
| C07 | C06 | H062 | 111.1° | 109.5° |
| C06 | C07 | C08 | 106.4° | 109.5° |
| C06 | C07 | H071 | 113.3° | 109.5° |
| C06 | C07 | H072 | 113.4° | 109.5° |
| H061 | C06 | H062 | 99.2° | 109.5° |
| C08 | C07 | H071 | 113.3° | 109.5° |
| C08 | C07 | H072 | 113.4° | 109.5° |
| C07 | C08 | C09 | 107.1° | 109.5° |
| C07 | C08 | H081 | 113.1° | 109.5° |
| C07 | C08 | H082 | 113.1° | 109.5° |
| H071 | C07 | H072 | 97.1° | 109.5° |
| C09 | C08 | H081 | 113.1° | 109.5° |
| C09 | C08 | H082 | 113.1° | 109.5° |
| C08 | C09 | C10 | 113.5° | 109.5° |
| C08 | C09 | H091 | 110.7° | 109.5° |
| C08 | C09 | H092 | 110.7° | 109.5° |
| H081 | C08 | H082 | 97.4° | 109.5° |
| C10 | C09 | H091 | 110.7° | 109.5° |
| C10 | C09 | H092 | 110.7° | 109.5° |
| C09 | C10 | O1 | 111.6° | 109.5° |
| C09 | C10 | O2 | 117.2° | 109.5° |
| C09 | C10 | H10 | 100.0° | 109.5° |
| H091 | C09 | H092 | 99.6° | 109.5° |
| O1 | C10 | O2 | 99.6° | 109.5° |
| O1 | C10 | H10 | 117.5° | 109.4° |
| C10 | O1 | HO1 | 111.6° | 106.8° |
| O2 | C10 | H10 | 111.9° | 109.5° |
| C10 | O2 | HO2 | 117.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | NP1 | HP11 | HP12 | 125.3° | 113.8° |
| NP1 | C02 | C03 | C06 | 125.4° | 120.0° |
| NP1 | C02 | C03 | H02 | 118.2° | 120.0° |
| NP1 | C02 | C06 | H02 | 118.8° | 120.0° |
| NP1 | C02 | C03 | O04 | 168.3° | 160.0° |
| NP1 | C02 | C03 | O05 | 16.3° | 20.0° |
| NP1 | C02 | C06 | C07 | 93.9° | 65.0° |
| NP1 | C02 | C06 | H061 | 140.9° | 55.0° |
| NP1 | C02 | C06 | H062 | 31.4° | 175.0° |
| HP11 | NP1 | C02 | C03 | 180.0° | 60.0° |
| HP11 | NP1 | C02 | C06 | 51.1° | 60.0° |
| HP11 | NP1 | C02 | H02 | 66.2° | 180.0° |
| HP12 | NP1 | C02 | C03 | 54.8° | 173.8° |
| HP12 | NP1 | C02 | C06 | 74.1° | 53.8° |
| HP12 | NP1 | C02 | H02 | 168.6° | 66.2° |
| C03 | C02 | C06 | H02 | 113.5° | 120.0° |
| C02 | C03 | O04 | O05 | 174.7° | 179.9° |
| C02 | C03 | O04 | H04 | 180.0° | 180.0° |
| C03 | C02 | C06 | C07 | 33.9° | 175.0° |
| C03 | C02 | C06 | H061 | 91.4° | 65.1° |
| C03 | C02 | C06 | H062 | 159.1° | 55.0° |
| C06 | C02 | C03 | O04 | 66.3° | 80.0° |
| C06 | C02 | C03 | O05 | 109.0° | 100.0° |
| C02 | C06 | C07 | H061 | 125.3° | 119.9° |
| C02 | C06 | C07 | H062 | 125.3° | 120.0° |
| C02 | C06 | H061 | H062 | 117.1° | 120.0° |
| C02 | C06 | C07 | C08 | 179.6° | 180.0° |
| C02 | C06 | C07 | H071 | 54.3° | 60.0° |
| C02 | C06 | C07 | H072 | 55.2° | 60.0° |
| H02 | C02 | C03 | O04 | 50.1° | 39.9° |
| H02 | C02 | C03 | O05 | 134.5° | 140.0° |
| H02 | C02 | C06 | C07 | 147.3° | 55.0° |
| H02 | C02 | C06 | H061 | 22.1° | 175.0° |
| H02 | C02 | C06 | H062 | 87.4° | 65.0° |
| O05 | C03 | O04 | H04 | 5.3° | 0.0° |
| C07 | C06 | H061 | H062 | 117.0° | 120.0° |
| C06 | C07 | C08 | H071 | 125.2° | 120.0° |
| C06 | C07 | C08 | H072 | 125.3° | 120.0° |
| C06 | C07 | H071 | H072 | 119.3° | 120.0° |
| C06 | C07 | C08 | C09 | 137.7° | NaN° |
| C06 | C07 | C08 | H081 | 97.0° | 60.0° |
| C06 | C07 | C08 | H082 | 12.5° | 60.0° |
| H061 | C06 | C07 | C08 | 55.1° | 60.0° |
| H061 | C06 | C07 | H071 | 179.6° | 180.0° |
| H061 | C06 | C07 | H072 | 70.1° | 60.0° |
| H062 | C06 | C07 | C08 | 54.3° | 60.0° |
| H062 | C06 | C07 | H071 | 71.0° | 60.0° |
| H062 | C06 | C07 | H072 | 179.5° | 180.0° |
| C08 | C07 | H071 | H072 | 119.3° | 120.0° |
| C07 | C08 | C09 | H081 | 125.3° | 120.0° |
| C07 | C08 | C09 | H082 | 125.3° | 120.0° |
| C07 | C08 | H081 | H082 | 119.0° | 120.0° |
| C07 | C08 | C09 | C10 | 164.9° | NaN° |
| C07 | C08 | C09 | H091 | 69.8° | 60.0° |
| C07 | C08 | C09 | H092 | 39.7° | 60.0° |
| H071 | C07 | C08 | C09 | 12.5° | 60.0° |
| H071 | C07 | C08 | H081 | 137.8° | 180.0° |
| H071 | C07 | C08 | H082 | 112.7° | 60.0° |
| H072 | C07 | C08 | C09 | 97.0° | 60.0° |
| H072 | C07 | C08 | H081 | 28.3° | 60.0° |
| H072 | C07 | C08 | H082 | 137.8° | 180.0° |
| C09 | C08 | H081 | H082 | 119.0° | 120.0° |
| C08 | C09 | C10 | H091 | 125.3° | 120.0° |
| C08 | C09 | C10 | H092 | 125.3° | 120.0° |
| C08 | C09 | H091 | H092 | 116.6° | 120.0° |
| C08 | C09 | C10 | O1 | 102.9° | 65.0° |
| C08 | C09 | C10 | O2 | 11.0° | 175.0° |
| C08 | C09 | C10 | H10 | 132.1° | 55.0° |
| H081 | C08 | C09 | C10 | 39.7° | 60.0° |
| H081 | C08 | C09 | H091 | 164.9° | 180.0° |
| H081 | C08 | C09 | H092 | 85.6° | 60.0° |
| H082 | C08 | C09 | C10 | 69.8° | 60.0° |
| H082 | C08 | C09 | H091 | 55.4° | 60.0° |
| H082 | C08 | C09 | H092 | 164.9° | 180.0° |
| C10 | C09 | H091 | H092 | 116.6° | 120.0° |
| C09 | C10 | O1 | O2 | 124.4° | 120.0° |
| C09 | C10 | O1 | H10 | 114.6° | 120.0° |
| C09 | C10 | O2 | H10 | 114.7° | 120.0° |
| C09 | C10 | O1 | HO1 | 180.0° | 60.0° |
| C09 | C10 | O2 | HO2 | 179.9° | 180.0° |
| H091 | C09 | C10 | O1 | 131.9° | 55.0° |
| H091 | C09 | C10 | O2 | 114.3° | 65.0° |
| H091 | C09 | C10 | H10 | 6.9° | 175.0° |
| H092 | C09 | C10 | O1 | 22.4° | 175.0° |
| H092 | C09 | C10 | O2 | 136.2° | 55.0° |
| H092 | C09 | C10 | H10 | 102.6° | 65.1° |
| O1 | C10 | O2 | H10 | 124.9° | 120.0° |
| O1 | C10 | O2 | HO2 | 59.6° | 60.0° |
| O2 | C10 | O1 | HO1 | 55.6° | 60.0° |
| H10 | C10 | O1 | HO1 | 65.4° | 179.9° |
| H10 | C10 | O2 | HO2 | 65.3° | 60.0° |
