HMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM2 | C2A | sing | 1.51Å | 1.48Å | |
| CM2 | HCM1 | sing | 1.09Å | 1.10Å | |
| CM2 | HCM2 | sing | 1.09Å | 1.10Å | |
| CM2 | HCM3 | sing | 1.09Å | 1.10Å | |
| N1A | C2A | doub | 1.32Å | 1.38Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.34Å | Aromatic |
| C2A | N3A | sing | 1.32Å | 1.34Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.39Å | Aromatic |
| C4A | N4A | sing | 1.39Å | 1.37Å | |
| C4A | C5A | sing | 1.40Å | 1.40Å | Aromatic |
| N4A | HN41 | sing | 0.97Å | 1.00Å | |
| N4A | HN42 | sing | 0.97Å | 1.00Å | |
| C5A | C6A | doub | 1.38Å | 1.41Å | Aromatic |
| C5A | C7A | sing | 1.51Å | 1.52Å | |
| C6A | HC6 | sing | 1.08Å | 1.08Å | |
| C7A | O1 | sing | 1.43Å | 1.43Å | |
| C7A | HC71 | sing | 1.09Å | 1.10Å | |
| C7A | HC72 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | CM2 | HCM1 | 109.5° | 109.5° |
| C2A | CM2 | HCM2 | 109.4° | 109.5° |
| C2A | CM2 | HCM3 | 109.5° | 109.4° |
| CM2 | C2A | N1A | 119.6° | 119.1° |
| CM2 | C2A | N3A | 120.3° | 119.1° |
| HCM1 | CM2 | HCM2 | 109.5° | 109.4° |
| HCM1 | CM2 | HCM3 | 109.5° | 109.4° |
| HCM2 | CM2 | HCM3 | 109.5° | 109.6° |
| C2A | N1A | C6A | 122.2° | 121.0° |
| N1A | C2A | N3A | 120.1° | 121.8° |
| N1A | C6A | C5A | 119.3° | 119.2° |
| N1A | C6A | HC6 | 120.3° | 120.3° |
| C2A | N3A | C4A | 120.2° | 120.7° |
| N3A | C4A | N4A | 121.9° | 120.5° |
| N3A | C4A | C5A | 119.9° | 118.9° |
| N4A | C4A | C5A | 118.1° | 120.6° |
| C4A | N4A | HN41 | 109.5° | 120.1° |
| C4A | N4A | HN42 | 109.5° | 119.9° |
| C4A | C5A | C6A | 118.2° | 118.4° |
| C4A | C5A | C7A | 122.5° | 120.9° |
| HN41 | N4A | HN42 | 109.4° | 120.0° |
| C6A | C5A | C7A | 119.2° | 120.8° |
| C5A | C6A | HC6 | 120.4° | 120.5° |
| C5A | C7A | O1 | 108.8° | 109.5° |
| C5A | C7A | HC71 | 109.7° | 109.5° |
| C5A | C7A | HC72 | 109.8° | 109.5° |
| O1 | C7A | HC71 | 109.7° | 109.5° |
| O1 | C7A | HC72 | 109.8° | 109.4° |
| C7A | O1 | HO1 | 109.5° | 106.8° |
| HC71 | C7A | HC72 | 108.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | CM2 | HCM1 | HCM2 | 120.0° | 120.0° |
| C2A | CM2 | HCM1 | HCM3 | 120.0° | 119.9° |
| C2A | CM2 | HCM2 | HCM3 | 120.0° | 120.0° |
| CM2 | C2A | N1A | N3A | 179.7° | 179.8° |
| CM2 | C2A | N1A | C6A | 179.8° | 180.0° |
| CM2 | C2A | N3A | C4A | 178.5° | 179.7° |
| HCM1 | CM2 | HCM2 | HCM3 | 120.0° | 120.0° |
| HCM1 | CM2 | C2A | N1A | 131.0° | 90.0° |
| HCM1 | CM2 | C2A | N3A | 49.3° | 90.2° |
| HCM2 | CM2 | C2A | N1A | 11.0° | 150.1° |
| HCM2 | CM2 | C2A | N3A | 169.2° | 29.7° |
| HCM3 | CM2 | C2A | N1A | 109.0° | 29.9° |
| HCM3 | CM2 | C2A | N3A | 70.7° | 149.9° |
| N1A | C2A | N3A | C4A | 1.2° | 0.5° |
| C2A | N1A | C6A | C5A | 2.0° | 0.0° |
| C2A | N1A | C6A | HC6 | 178.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.1° | 0.2° |
| N1A | C6A | C5A | C4A | 2.6° | 0.0° |
| N1A | C6A | C5A | HC6 | 180.0° | 180.0° |
| N1A | C6A | C5A | C7A | 178.9° | 180.0° |
| C2A | N3A | C4A | N4A | 179.3° | 179.8° |
| C2A | N3A | C4A | C5A | 0.6° | 0.5° |
| N3A | C4A | N4A | C5A | 178.8° | 179.7° |
| N3A | C4A | N4A | HN41 | 115.8° | 0.3° |
| N3A | C4A | N4A | HN42 | 4.2° | 179.7° |
| N3A | C4A | C5A | C6A | 1.3° | 0.3° |
| N3A | C4A | C5A | C7A | 177.5° | 179.8° |
| C4A | N4A | HN41 | HN42 | 120.0° | 179.9° |
| N4A | C4A | C5A | C6A | 177.5° | 180.0° |
| N4A | C4A | C5A | C7A | 1.3° | 0.0° |
| C5A | C4A | N4A | HN41 | 63.0° | 180.0° |
| C5A | C4A | N4A | HN42 | 177.0° | 0.0° |
| C4A | C5A | C6A | C7A | 176.3° | 180.0° |
| C4A | C5A | C6A | HC6 | 177.4° | 180.0° |
| C4A | C5A | C7A | O1 | 19.4° | 180.0° |
| C4A | C5A | C7A | HC71 | 139.4° | 60.0° |
| C4A | C5A | C7A | HC72 | 100.9° | 60.0° |
| C6A | C5A | C7A | O1 | 164.5° | 0.0° |
| C6A | C5A | C7A | HC71 | 44.5° | 120.1° |
| C6A | C5A | C7A | HC72 | 75.2° | 120.0° |
| C7A | C5A | C6A | HC6 | 1.1° | 0.0° |
| C5A | C7A | O1 | HC71 | 120.0° | 120.0° |
| C5A | C7A | O1 | HC72 | 120.3° | 120.0° |
| C5A | C7A | HC71 | HC72 | 120.3° | 120.0° |
| C5A | C7A | O1 | HO1 | 116.6° | 179.9° |
| O1 | C7A | HC71 | HC72 | 120.3° | 120.0° |
| HC71 | C7A | O1 | HO1 | 123.4° | 59.9° |
| HC72 | C7A | O1 | HO1 | 3.7° | 60.0° |
