XH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAC | sing | 1.43Å | 1.45Å | |
| CAC | CAB | sing | 1.53Å | 1.56Å | |
| CAC | CAD | sing | 1.50Å | 1.45Å | |
| CAB | OAG | sing | 1.43Å | 1.47Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAA | CAI | sing | 1.53Å | 1.56Å | |
| CAI | CAH | sing | 1.51Å | 1.46Å | |
| CAI | OAM | sing | 1.43Å | 1.47Å | |
| CAI | CAE | sing | 1.50Å | 1.44Å | |
| CAH | OAO | doub | 1.21Å | 1.28Å | |
| CAH | OAN | sing | 1.34Å | 1.28Å | |
| CAE | CAD | doub | 1.29Å | 1.41Å | |
| CAD | CAL | sing | 1.51Å | 1.44Å | |
| CAL | CAK | sing | 1.53Å | 1.55Å | |
| CAK | OAJ | sing | 1.43Å | 1.49Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| OAM | HAM | sing | 0.97Å | 0.95Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAN | HAN | sing | 0.97Å | 0.95Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| OAJ | HAJ | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAC | CAB | 104.5° | 109.3° |
| OAF | CAC | CAD | 112.0° | 109.3° |
| CAC | OAF | HAF | 109.5° | 114.0° |
| OAF | CAC | HAC | 109.0° | 109.3° |
| CAB | CAC | CAD | 114.5° | 110.2° |
| CAC | CAB | OAG | 110.3° | 109.6° |
| CAC | CAB | CAA | 108.6° | 108.4° |
| CAB | CAC | HAC | 107.6° | 109.3° |
| CAC | CAB | HAB | 108.2° | 109.7° |
| CAC | CAD | CAE | 118.9° | 124.1° |
| CAC | CAD | CAL | 121.2° | 118.0° |
| CAD | CAC | HAC | 109.0° | 109.3° |
| OAG | CAB | CAA | 111.6° | 109.6° |
| OAG | CAB | HAB | 109.5° | 109.6° |
| CAB | OAG | HAG | 109.5° | 114.0° |
| CAB | CAA | CAI | 108.2° | 108.4° |
| CAA | CAB | HAB | 108.6° | 109.8° |
| CAB | CAA | HAA1 | 109.8° | 109.7° |
| CAB | CAA | HAA2 | 109.8° | 109.6° |
| CAA | CAI | CAH | 110.0° | 109.3° |
| CAA | CAI | OAM | 108.6° | 109.3° |
| CAA | CAI | CAE | 112.6° | 110.1° |
| CAI | CAA | HAA1 | 109.8° | 109.6° |
| CAI | CAA | HAA2 | 109.8° | 109.6° |
| CAH | CAI | OAM | 110.3° | 109.3° |
| CAH | CAI | CAE | 111.2° | 109.4° |
| CAI | CAH | OAO | 116.4° | 120.0° |
| CAI | CAH | OAN | 119.1° | 120.0° |
| OAM | CAI | CAE | 103.9° | 109.3° |
| CAI | OAM | HAM | 109.5° | 114.0° |
| CAI | CAE | CAD | 125.9° | 124.1° |
| CAI | CAE | HAE | 117.1° | 118.0° |
| OAO | CAH | OAN | 124.5° | 120.0° |
| CAH | OAN | HAN | 109.5° | 117.0° |
| CAE | CAD | CAL | 119.9° | 118.0° |
| CAD | CAE | HAE | 117.0° | 117.9° |
| CAD | CAL | CAK | 111.3° | 109.4° |
| CAD | CAL | HAL1 | 109.0° | 109.5° |
| CAD | CAL | HAL2 | 109.0° | 109.4° |
| CAL | CAK | OAJ | 112.4° | 109.4° |
| CAK | CAL | HAL1 | 109.0° | 109.5° |
| CAK | CAL | HAL2 | 109.0° | 109.5° |
| CAL | CAK | HAK1 | 108.7° | 109.5° |
| CAL | CAK | HAK2 | 108.7° | 109.4° |
| OAJ | CAK | HAK1 | 108.7° | 109.5° |
| OAJ | CAK | HAK2 | 108.7° | 109.5° |
| CAK | OAJ | HAJ | 109.5° | 113.9° |
| HAA1 | CAA | HAA2 | 109.5° | 109.8° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAC | CAB | CAD | 122.9° | 120.2° |
| OAF | CAC | CAB | HAC | 115.8° | 119.7° |
| OAF | CAC | CAD | HAC | 120.7° | 119.7° |
| OAF | CAC | CAB | OAG | 65.6° | 70.7° |
| OAF | CAC | CAB | CAA | 171.8° | 169.7° |
| OAF | CAC | CAD | CAE | 135.9° | 137.4° |
| OAF | CAC | CAD | CAL | 46.0° | 42.7° |
| OAF | CAC | CAB | HAB | 54.1° | 49.7° |
| CAB | CAC | CAD | HAC | 120.6° | 120.2° |
| CAC | CAB | OAG | CAA | 120.8° | 118.9° |
| CAC | CAB | OAG | HAB | 118.9° | 120.5° |
| CAC | CAB | CAA | HAB | 117.5° | 119.8° |
| CAC | CAB | CAA | CAI | 63.0° | 67.4° |
| CAB | CAC | CAD | CAE | 17.1° | 17.2° |
| CAB | CAC | CAD | CAL | 164.7° | 162.8° |
| CAB | CAC | OAF | HAF | 180.0° | 180.0° |
| CAC | CAB | OAG | HAG | 180.0° | 60.0° |
| CAC | CAB | CAA | HAA1 | 56.8° | 52.2° |
| CAC | CAB | CAA | HAA2 | 177.2° | 172.9° |
| CAD | CAC | CAB | OAG | 171.5° | 169.1° |
| CAD | CAC | CAB | CAA | 49.0° | 49.5° |
| CAC | CAD | CAE | CAI | 0.3° | 0.5° |
| CAC | CAD | CAE | CAL | 178.2° | 180.0° |
| CAC | CAD | CAL | CAK | 140.7° | 85.1° |
| CAD | CAC | OAF | HAF | 55.5° | 59.3° |
| CAD | CAC | CAB | HAB | 68.8° | 70.4° |
| CAC | CAD | CAE | HAE | 179.7° | 179.5° |
| CAC | CAD | CAL | HAL1 | 99.0° | 35.0° |
| CAC | CAD | CAL | HAL2 | 20.4° | 155.0° |
| OAG | CAB | CAA | HAB | 120.8° | 120.5° |
| OAG | CAB | CAA | CAI | 175.3° | 172.9° |
| OAG | CAB | CAC | HAC | 50.2° | 49.0° |
| OAG | CAB | CAA | HAA1 | 64.9° | 67.4° |
| OAG | CAB | CAA | HAA2 | 55.5° | 53.2° |
| CAB | CAA | CAI | HAA1 | 119.8° | 119.7° |
| CAB | CAA | CAI | HAA2 | 119.8° | 119.7° |
| CAB | CAA | CAI | CAH | 171.7° | 169.7° |
| CAB | CAA | CAI | OAM | 67.5° | 70.6° |
| CAB | CAA | CAI | CAE | 47.0° | 49.4° |
| CAA | CAB | CAC | HAC | 72.3° | 70.7° |
| CAA | CAB | OAG | HAG | 59.2° | 178.9° |
| CAB | CAA | HAA1 | HAA2 | 120.6° | 120.5° |
| CAA | CAI | CAH | OAM | 119.8° | 119.7° |
| CAA | CAI | CAH | CAE | 125.4° | 120.7° |
| CAA | CAI | OAM | CAE | 120.0° | 120.6° |
| CAA | CAI | CAH | OAO | 170.9° | 25.1° |
| CAA | CAI | CAH | OAN | 9.4° | 155.0° |
| CAA | CAI | CAE | CAD | 15.9° | 17.1° |
| CAI | CAA | CAB | HAB | 54.5° | 52.4° |
| CAI | CAA | HAA1 | HAA2 | 120.6° | 120.5° |
| CAA | CAI | OAM | HAM | 143.2° | 180.0° |
| CAA | CAI | CAE | HAE | 164.1° | 162.8° |
| CAH | CAI | OAM | CAE | 119.3° | 119.7° |
| CAI | CAH | OAO | OAN | 179.6° | 179.9° |
| CAH | CAI | CAE | CAD | 139.9° | 137.4° |
| CAH | CAI | CAA | HAA1 | 51.9° | 50.0° |
| CAH | CAI | CAA | HAA2 | 68.5° | 70.6° |
| CAH | CAI | OAM | HAM | 22.5° | 60.3° |
| CAH | CAI | CAE | HAE | 40.1° | 42.6° |
| CAI | CAH | OAN | HAN | 179.6° | 180.0° |
| OAM | CAI | CAH | OAO | 51.2° | 144.8° |
| OAM | CAI | CAH | OAN | 129.2° | 35.4° |
| OAM | CAI | CAE | CAD | 101.4° | 103.0° |
| OAM | CAI | CAA | HAA1 | 172.7° | 169.7° |
| OAM | CAI | CAA | HAA2 | 52.3° | 49.1° |
| OAM | CAI | CAE | HAE | 78.5° | 77.1° |
| CAE | CAI | CAH | OAO | 63.6° | 95.6° |
| CAE | CAI | CAH | OAN | 116.0° | 84.3° |
| CAI | CAE | CAD | HAE | 180.0° | 180.0° |
| CAI | CAE | CAD | CAL | 178.5° | 179.5° |
| CAE | CAI | CAA | HAA1 | 72.7° | 70.3° |
| CAE | CAI | CAA | HAA2 | 166.8° | 169.1° |
| CAE | CAI | OAM | HAM | 96.8° | 59.4° |
| OAO | CAH | OAN | HAN | 0.0° | 0.1° |
| CAE | CAD | CAL | CAK | 37.5° | 95.0° |
| CAE | CAD | CAC | HAC | 103.5° | 103.0° |
| CAE | CAD | CAL | HAL1 | 82.8° | 145.0° |
| CAE | CAD | CAL | HAL2 | 157.7° | 25.0° |
| CAD | CAL | CAK | HAL1 | 120.3° | 120.0° |
| CAD | CAL | CAK | HAL2 | 120.3° | 119.9° |
| CAD | CAL | CAK | OAJ | 155.8° | 180.0° |
| CAL | CAD | CAC | HAC | 74.7° | 77.0° |
| CAL | CAD | CAE | HAE | 1.5° | 0.5° |
| CAD | CAL | HAL1 | HAL2 | 119.1° | 120.0° |
| CAD | CAL | CAK | HAK1 | 35.4° | 60.0° |
| CAD | CAL | CAK | HAK2 | 83.7° | 60.0° |
| CAL | CAK | OAJ | HAK1 | 120.4° | 120.0° |
| CAL | CAK | OAJ | HAK2 | 120.5° | 119.9° |
| CAK | CAL | HAL1 | HAL2 | 119.1° | 120.1° |
| CAL | CAK | HAK1 | HAK2 | 118.7° | 120.0° |
| CAL | CAK | OAJ | HAJ | 180.0° | 179.9° |
| OAJ | CAK | CAL | HAL1 | 83.9° | 60.0° |
| OAJ | CAK | CAL | HAL2 | 35.5° | 60.1° |
| OAJ | CAK | HAK1 | HAK2 | 118.6° | 120.1° |
| HAF | OAF | CAC | HAC | 65.1° | 60.3° |
| HAC | CAC | CAB | HAB | 169.9° | 169.4° |
| HAB | CAB | OAG | HAG | 61.0° | 60.4° |
| HAB | CAB | CAA | HAA1 | 174.3° | 172.1° |
| HAB | CAB | CAA | HAA2 | 65.3° | 67.3° |
| HAL1 | CAL | CAK | HAK1 | 155.7° | 180.0° |
| HAL1 | CAL | CAK | HAK2 | 36.6° | 60.0° |
| HAL2 | CAL | CAK | HAK1 | 84.9° | 59.9° |
| HAL2 | CAL | CAK | HAK2 | 156.0° | 180.0° |
| HAK1 | CAK | OAJ | HAJ | 59.6° | 60.1° |
| HAK2 | CAK | OAJ | HAJ | 59.5° | 60.0° |
