MRY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAA | sing | 1.43Å | 1.43Å | |
OAB | HAB | sing | 0.97Å | 0.95Å | |
CAA | CAC | sing | 1.53Å | 1.53Å | |
CAA | HAA1 | sing | 1.09Å | 1.11Å | |
CAA | HAA2 | sing | 1.09Å | 1.11Å | |
CAC | OAD | sing | 1.43Å | 1.43Å | |
CAC | CAE | sing | 1.53Å | 1.53Å | |
CAC | HAC | sing | 1.09Å | 1.11Å | |
OAD | HAD | sing | 0.97Å | 0.95Å | |
CAE | OAF | sing | 1.43Å | 1.43Å | |
CAE | CAG | sing | 1.53Å | 1.53Å | |
CAE | HAE | sing | 1.09Å | 1.11Å | |
OAF | HAF | sing | 0.97Å | 0.95Å | |
CAG | OAH | sing | 1.43Å | 1.43Å | |
CAG | HAG1 | sing | 1.09Å | 1.11Å | |
CAG | HAG2 | sing | 1.09Å | 1.12Å | |
OAH | HAH | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | OAB | HAB | 109.1° | 106.8° |
OAB | CAA | CAC | 109.1° | 109.5° |
OAB | CAA | HAA1 | 112.4° | 109.5° |
OAB | CAA | HAA2 | 112.3° | 109.5° |
CAC | CAA | HAA1 | 112.3° | 109.4° |
CAC | CAA | HAA2 | 112.3° | 109.4° |
CAA | CAC | OAD | 109.0° | 109.4° |
CAA | CAC | CAE | 112.3° | 109.5° |
CAA | CAC | HAC | 107.8° | 109.4° |
HAA1 | CAA | HAA2 | 98.1° | 109.5° |
OAD | CAC | CAE | 109.2° | 109.5° |
OAD | CAC | HAC | 111.0° | 109.4° |
CAC | OAD | HAD | 109.0° | 106.8° |
CAE | CAC | HAC | 107.6° | 109.5° |
CAC | CAE | OAF | 109.5° | 109.5° |
CAC | CAE | CAG | 112.3° | 109.5° |
CAC | CAE | HAE | 107.5° | 109.5° |
OAF | CAE | CAG | 109.2° | 109.4° |
OAF | CAE | HAE | 110.6° | 109.4° |
CAE | OAF | HAF | 109.5° | 106.8° |
CAG | CAE | HAE | 107.7° | 109.4° |
CAE | CAG | OAH | 109.4° | 109.5° |
CAE | CAG | HAG1 | 112.2° | 109.4° |
CAE | CAG | HAG2 | 112.2° | 109.4° |
OAH | CAG | HAG1 | 112.2° | 109.5° |
OAH | CAG | HAG2 | 112.2° | 109.5° |
CAG | OAH | HAH | 109.4° | 106.8° |
HAG1 | CAG | HAG2 | 98.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAA | CAC | HAA1 | 125.3° | 120.1° |
OAB | CAA | CAC | HAA2 | 125.2° | 120.0° |
OAB | CAA | HAA1 | HAA2 | 118.2° | 120.0° |
OAB | CAA | CAC | OAD | 56.9° | 59.9° |
OAB | CAA | CAC | CAE | 178.0° | 179.9° |
OAB | CAA | CAC | HAC | 63.6° | 60.0° |
HAB | OAB | CAA | CAC | 180.0° | 179.9° |
HAB | OAB | CAA | HAA1 | 54.7° | 59.9° |
HAB | OAB | CAA | HAA2 | 54.7° | 60.1° |
CAC | CAA | HAA1 | HAA2 | 118.3° | 119.9° |
CAA | CAC | OAD | CAE | 123.0° | 120.0° |
CAA | CAC | OAD | HAC | 118.5° | 119.9° |
CAA | CAC | CAE | HAC | 118.4° | 120.0° |
CAA | CAC | OAD | HAD | 180.0° | 60.0° |
CAA | CAC | CAE | OAF | 57.5° | 60.0° |
CAA | CAC | CAE | CAG | 64.0° | 180.0° |
CAA | CAC | CAE | HAE | 177.7° | 60.0° |
HAA1 | CAA | CAC | OAD | 177.9° | 180.0° |
HAA1 | CAA | CAC | CAE | 56.7° | 60.0° |
HAA1 | CAA | CAC | HAC | 61.6° | 60.1° |
HAA2 | CAA | CAC | OAD | 68.4° | 60.1° |
HAA2 | CAA | CAC | CAE | 52.8° | 59.9° |
HAA2 | CAA | CAC | HAC | 171.1° | NaN° |
OAD | CAC | CAE | HAC | 120.5° | 120.0° |
OAD | CAC | CAE | OAF | 63.5° | 180.0° |
OAD | CAC | CAE | CAG | 175.0° | 60.0° |
OAD | CAC | CAE | HAE | 56.7° | 60.0° |
CAE | CAC | OAD | HAD | 57.0° | 60.0° |
CAC | CAE | OAF | CAG | 123.3° | 120.0° |
CAC | CAE | OAF | HAE | 118.3° | 120.1° |
CAC | CAE | CAG | HAE | 118.2° | 120.1° |
CAC | CAE | OAF | HAF | 180.0° | 60.0° |
CAC | CAE | CAG | OAH | 179.3° | 179.9° |
CAC | CAE | CAG | HAG1 | 54.0° | 60.0° |
CAC | CAE | CAG | HAG2 | 55.5° | 59.9° |
HAC | CAC | OAD | HAD | 61.5° | 180.0° |
HAC | CAC | CAE | OAF | 176.0° | 60.0° |
HAC | CAC | CAE | CAG | 54.5° | 60.0° |
HAC | CAC | CAE | HAE | 63.8° | 180.0° |
OAF | CAE | CAG | HAE | 120.2° | 119.9° |
OAF | CAE | CAG | OAH | 59.1° | 59.9° |
OAF | CAE | CAG | HAG1 | 175.6° | 180.0° |
OAF | CAE | CAG | HAG2 | 66.2° | 60.1° |
CAG | CAE | OAF | HAF | 56.7° | 60.0° |
CAE | CAG | OAH | HAG1 | 125.3° | 120.0° |
CAE | CAG | OAH | HAG2 | 125.2° | 120.0° |
CAE | CAG | HAG1 | HAG2 | 118.1° | 119.9° |
CAE | CAG | OAH | HAH | 180.0° | 179.9° |
HAE | CAE | OAF | HAF | 61.7° | 180.0° |
HAE | CAE | CAG | OAH | 61.1° | 60.0° |
HAE | CAE | CAG | HAG1 | 64.2° | 60.1° |
HAE | CAE | CAG | HAG2 | 173.6° | NaN° |
OAH | CAG | HAG1 | HAG2 | 118.1° | 120.0° |
HAG1 | CAG | OAH | HAH | 54.7° | 59.9° |
HAG2 | CAG | OAH | HAH | 54.7° | 60.1° |