HB0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.50Å | |
| CAA | CAF | sing | 1.53Å | 1.49Å | |
| CAA | OAI | sing | 1.43Å | 1.39Å | |
| CAB | CAC | sing | 1.53Å | 1.48Å | |
| CAC | CAD | sing | 1.53Å | 1.45Å | |
| CAD | CAE | sing | 1.53Å | 1.54Å | |
| CAD | CAG | sing | 1.53Å | 1.54Å | |
| CAE | CAF | sing | 1.53Å | 1.55Å | |
| CAG | OAH | sing | 1.43Å | 1.40Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 108.4° | 109.4° |
| CAB | CAA | OAI | 105.0° | 109.5° |
| CAA | CAB | CAC | 106.3° | 109.5° |
| CAB | CAA | HAA | 110.4° | 109.5° |
| CAA | CAB | HAB | 110.2° | 109.4° |
| CAA | CAB | HABA | 110.2° | 109.5° |
| CAF | CAA | OAI | 110.1° | 109.5° |
| CAA | CAF | CAE | 110.9° | 109.5° |
| CAF | CAA | HAA | 110.6° | 109.4° |
| CAA | CAF | HAF | 109.1° | 109.5° |
| CAA | CAF | HAFA | 109.1° | 109.5° |
| OAI | CAA | HAA | 112.1° | 109.5° |
| CAA | OAI | HOAI | 109.5° | 114.0° |
| CAB | CAC | CAD | 110.0° | 109.5° |
| CAC | CAB | HAB | 110.3° | 109.5° |
| CAC | CAB | HABA | 110.3° | 109.5° |
| CAB | CAC | HAC | 109.3° | 109.5° |
| CAB | CAC | HACA | 109.3° | 109.5° |
| CAC | CAD | CAE | 109.1° | 109.4° |
| CAC | CAD | CAG | 106.7° | 109.5° |
| CAD | CAC | HAC | 109.4° | 109.5° |
| CAD | CAC | HACA | 109.4° | 109.5° |
| CAC | CAD | HAD | 108.5° | 109.4° |
| CAE | CAD | CAG | 117.3° | 109.5° |
| CAD | CAE | CAF | 111.3° | 109.5° |
| CAE | CAD | HAD | 107.5° | 109.5° |
| CAD | CAE | HAE | 109.0° | 109.5° |
| CAD | CAE | HAEA | 109.0° | 109.4° |
| CAD | CAG | OAH | 111.9° | 109.5° |
| CAG | CAD | HAD | 107.4° | 109.5° |
| CAD | CAG | HAG | 108.9° | 109.5° |
| CAD | CAG | HAGA | 108.9° | 109.5° |
| CAF | CAE | HAE | 109.0° | 109.5° |
| CAF | CAE | HAEA | 109.0° | 109.5° |
| CAE | CAF | HAF | 109.1° | 109.5° |
| CAE | CAF | HAFA | 109.1° | 109.5° |
| OAH | CAG | HAG | 108.9° | 109.5° |
| OAH | CAG | HAGA | 108.9° | 109.5° |
| CAG | OAH | HOAH | 109.5° | 114.0° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.4° | 109.5° |
| HAE | CAE | HAEA | 109.5° | 109.5° |
| HAF | CAF | HAFA | 109.5° | 109.5° |
| HAG | CAG | HAGA | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | OAI | 114.4° | 120.0° |
| CAB | CAA | CAF | HAA | 121.2° | 119.9° |
| CAB | CAA | OAI | HAA | 119.9° | 120.0° |
| CAA | CAB | CAC | HAB | 119.5° | 120.0° |
| CAA | CAB | CAC | HABA | 119.5° | 120.0° |
| CAA | CAB | CAC | CAD | 70.3° | 60.0° |
| CAB | CAA | CAF | CAE | 57.6° | 60.0° |
| CAA | CAB | HAB | HABA | 121.4° | 120.0° |
| CAA | CAB | CAC | HAC | 49.8° | 60.0° |
| CAA | CAB | CAC | HACA | 169.6° | 180.0° |
| CAB | CAA | CAF | HAF | 62.6° | 60.0° |
| CAB | CAA | CAF | HAFA | 177.8° | 180.0° |
| CAB | CAA | OAI | HOAI | 180.0° | 180.0° |
| CAF | CAA | OAI | HAA | 123.6° | 120.0° |
| CAF | CAA | CAB | CAC | 66.7° | 60.0° |
| CAA | CAF | CAE | CAD | 49.8° | 60.0° |
| CAA | CAF | CAE | HAF | 120.2° | 120.0° |
| CAA | CAF | CAE | HAFA | 120.2° | 120.0° |
| CAF | CAA | CAB | HAB | 173.8° | 180.0° |
| CAF | CAA | CAB | HABA | 52.8° | 60.1° |
| CAA | CAF | CAE | HAE | 70.5° | 60.0° |
| CAA | CAF | CAE | HAEA | 170.0° | 180.0° |
| CAA | CAF | HAF | HAFA | 119.3° | 120.0° |
| CAF | CAA | OAI | HOAI | 63.5° | 60.0° |
| OAI | CAA | CAB | CAC | 175.6° | 180.0° |
| OAI | CAA | CAF | CAE | 172.0° | 180.0° |
| OAI | CAA | CAB | HAB | 56.1° | 60.0° |
| OAI | CAA | CAB | HABA | 64.9° | 60.0° |
| OAI | CAA | CAF | HAF | 51.7° | 60.0° |
| OAI | CAA | CAF | HAFA | 67.8° | 60.0° |
| CAB | CAC | CAD | HAC | 120.1° | 120.0° |
| CAB | CAC | CAD | HACA | 120.1° | 120.0° |
| CAB | CAC | CAD | CAE | 61.9° | 60.0° |
| CAB | CAC | CAD | CAG | 170.4° | 180.0° |
| CAC | CAB | CAA | HAA | 54.6° | 60.0° |
| CAC | CAB | HAB | HABA | 121.5° | 120.0° |
| CAB | CAC | HAC | HACA | 119.7° | 120.0° |
| CAB | CAC | CAD | HAD | 54.9° | 60.0° |
| CAC | CAD | CAE | CAG | 121.4° | 120.0° |
| CAC | CAD | CAE | HAD | 117.5° | 119.9° |
| CAC | CAD | CAG | HAD | 116.2° | 120.0° |
| CAC | CAD | CAE | CAF | 50.9° | 60.0° |
| CAC | CAD | CAG | OAH | 160.5° | 175.0° |
| CAD | CAC | CAB | HAB | 170.2° | 180.0° |
| CAD | CAC | CAB | HABA | 49.2° | 60.0° |
| CAD | CAC | HAC | HACA | 119.8° | 120.0° |
| CAC | CAD | CAE | HAE | 69.4° | 60.1° |
| CAC | CAD | CAE | HAEA | 171.2° | 180.0° |
| CAC | CAD | CAG | HAG | 40.1° | 65.0° |
| CAC | CAD | CAG | HAGA | 79.1° | 55.0° |
| CAE | CAD | CAG | HAD | 121.1° | 120.0° |
| CAD | CAE | CAF | HAE | 120.3° | 120.0° |
| CAD | CAE | CAF | HAEA | 120.3° | 120.0° |
| CAE | CAD | CAG | OAH | 37.8° | 65.0° |
| CAE | CAD | CAC | HAC | 58.1° | 60.0° |
| CAE | CAD | CAC | HACA | 178.0° | 180.0° |
| CAD | CAE | HAE | HAEA | 119.2° | 119.9° |
| CAD | CAE | CAF | HAF | 70.5° | 60.0° |
| CAD | CAE | CAF | HAFA | 170.0° | 180.0° |
| CAE | CAD | CAG | HAG | 82.6° | 55.0° |
| CAE | CAD | CAG | HAGA | 158.2° | 175.0° |
| CAG | CAD | CAE | CAF | 172.3° | 180.0° |
| CAD | CAG | OAH | HAG | 120.4° | 120.0° |
| CAD | CAG | OAH | HAGA | 120.4° | 120.0° |
| CAG | CAD | CAC | HAC | 69.5° | 60.0° |
| CAG | CAD | CAC | HACA | 50.3° | 60.0° |
| CAG | CAD | CAE | HAE | 52.1° | 60.0° |
| CAG | CAD | CAE | HAEA | 67.4° | 60.0° |
| CAD | CAG | HAG | HAGA | 118.9° | 120.0° |
| CAD | CAG | OAH | HOAH | 180.0° | 179.9° |
| CAE | CAF | CAA | HAA | 63.6° | 60.0° |
| CAF | CAE | CAD | HAD | 66.6° | 60.0° |
| CAF | CAE | HAE | HAEA | 119.1° | 120.0° |
| CAE | CAF | HAF | HAFA | 119.4° | 120.0° |
| OAH | CAG | CAD | HAD | 83.3° | 55.0° |
| OAH | CAG | HAG | HAGA | 118.9° | 120.0° |
| HAA | CAA | CAB | HAB | 64.9° | 60.0° |
| HAA | CAA | CAB | HABA | 174.1° | 180.0° |
| HAA | CAA | CAF | HAF | 176.2° | 180.0° |
| HAA | CAA | CAF | HAFA | 56.6° | 60.0° |
| HAA | CAA | OAI | HOAI | 60.1° | 60.0° |
| HAB | CAB | CAC | HAC | 69.7° | 60.0° |
| HAB | CAB | CAC | HACA | 50.1° | 60.0° |
| HABA | CAB | CAC | HAC | 169.3° | 180.0° |
| HABA | CAB | CAC | HACA | 70.9° | 60.0° |
| HAC | CAC | CAD | HAD | 174.9° | 180.0° |
| HACA | CAC | CAD | HAD | 65.2° | 60.0° |
| HAD | CAD | CAE | HAE | 173.1° | 180.0° |
| HAD | CAD | CAE | HAEA | 53.7° | 60.0° |
| HAD | CAD | CAG | HAG | 156.4° | 175.0° |
| HAD | CAD | CAG | HAGA | 37.1° | 65.0° |
| HAE | CAE | CAF | HAF | 169.3° | 180.0° |
| HAE | CAE | CAF | HAFA | 49.7° | 60.0° |
| HAEA | CAE | CAF | HAF | 49.8° | 60.0° |
| HAEA | CAE | CAF | HAFA | 69.8° | 60.0° |
| HAG | CAG | OAH | HOAH | 59.6° | 60.1° |
| HAGA | CAG | OAH | HOAH | 59.6° | 60.0° |
