UE3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAE | CAD | sing | 1.53Å | 1.53Å | |
CAD | CAC | sing | 1.53Å | 1.53Å | |
OAH | CAB | sing | 1.43Å | 1.40Å | |
CAC | CAB | sing | 1.53Å | 1.53Å | |
CAB | CAA | sing | 1.51Å | 1.52Å | |
CAA | OAF | doub | 1.21Å | 1.26Å | |
CAA | OAG | sing | 1.34Å | 1.26Å | |
CAB | H1 | sing | 1.09Å | 1.10Å | |
CAC | H2 | sing | 1.09Å | 1.10Å | |
CAC | H3 | sing | 1.09Å | 1.10Å | |
CAD | H4 | sing | 1.09Å | 1.10Å | |
CAD | H5 | sing | 1.09Å | 1.10Å | |
CAE | H6 | sing | 1.09Å | 1.10Å | |
CAE | H7 | sing | 1.09Å | 1.10Å | |
CAE | H8 | sing | 1.09Å | 1.10Å | |
OAG | H9 | sing | 0.97Å | 0.95Å | |
OAH | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAE | CAD | CAC | 111.0° | 109.5° |
CAE | CAD | H4 | 109.1° | 109.5° |
CAE | CAD | H5 | 109.1° | 109.5° |
CAD | CAE | H6 | 109.5° | 109.5° |
CAD | CAE | H7 | 109.5° | 109.5° |
CAD | CAE | H8 | 109.5° | 109.5° |
CAD | CAC | CAB | 110.2° | 109.5° |
CAD | CAC | H2 | 109.3° | 109.5° |
CAD | CAC | H3 | 109.3° | 109.5° |
CAC | CAD | H4 | 109.1° | 109.5° |
CAC | CAD | H5 | 109.1° | 109.4° |
OAH | CAB | CAC | 109.7° | 109.4° |
OAH | CAB | CAA | 107.3° | 109.5° |
OAH | CAB | H1 | 111.2° | 109.4° |
CAB | OAH | H10 | 109.5° | 114.0° |
CAC | CAB | CAA | 109.8° | 109.5° |
CAC | CAB | H1 | 109.4° | 109.4° |
CAB | CAC | H2 | 109.3° | 109.5° |
CAB | CAC | H3 | 109.3° | 109.4° |
CAB | CAA | OAF | 119.0° | 120.1° |
CAB | CAA | OAG | 120.3° | 120.0° |
CAA | CAB | H1 | 109.5° | 109.5° |
OAF | CAA | OAG | 120.7° | 120.0° |
CAA | OAG | H9 | 109.5° | 117.0° |
H2 | CAC | H3 | 109.4° | 109.5° |
H4 | CAD | H5 | 109.5° | 109.4° |
H6 | CAE | H7 | 109.5° | 109.4° |
H6 | CAE | H8 | 109.5° | 109.4° |
H7 | CAE | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAE | CAD | CAC | H4 | 120.2° | 120.0° |
CAE | CAD | CAC | H5 | 120.2° | 120.1° |
CAE | CAD | CAC | CAB | 55.2° | 180.0° |
CAE | CAD | CAC | H2 | 175.4° | 60.0° |
CAE | CAD | CAC | H3 | 64.9° | 60.0° |
CAE | CAD | H4 | H5 | 119.3° | 120.0° |
CAD | CAE | H6 | H7 | 120.0° | 120.0° |
CAD | CAE | H6 | H8 | 120.0° | 120.0° |
CAD | CAE | H7 | H8 | 120.0° | 120.1° |
CAD | CAC | CAB | OAH | 59.9° | 65.0° |
CAD | CAC | CAB | H2 | 120.1° | 120.0° |
CAD | CAC | CAB | H3 | 120.1° | 120.0° |
CAD | CAC | CAB | CAA | 177.5° | 175.0° |
CAD | CAC | CAB | H1 | 62.4° | 55.0° |
CAD | CAC | H2 | H3 | 119.7° | 120.0° |
CAC | CAD | H4 | H5 | 119.3° | 119.9° |
CAC | CAD | CAE | H6 | 180.0° | 180.0° |
CAC | CAD | CAE | H7 | 60.0° | 60.1° |
CAC | CAD | CAE | H8 | 60.0° | 60.0° |
OAH | CAB | CAC | CAA | 117.6° | 120.0° |
OAH | CAB | CAC | H1 | 122.2° | 119.9° |
OAH | CAB | CAA | H1 | 120.7° | 120.0° |
OAH | CAB | CAA | OAF | 14.8° | 5.0° |
OAH | CAB | CAA | OAG | 164.3° | 175.3° |
OAH | CAB | CAC | H2 | 60.3° | 175.0° |
OAH | CAB | CAC | H3 | 180.0° | 55.0° |
CAC | CAB | CAA | H1 | 120.2° | 120.0° |
CAC | CAB | CAA | OAF | 104.3° | 115.0° |
CAC | CAB | CAA | OAG | 76.6° | 64.7° |
CAB | CAC | H2 | H3 | 119.6° | 120.0° |
CAB | CAC | CAD | H4 | 65.0° | 60.0° |
CAB | CAC | CAD | H5 | 175.5° | 59.9° |
CAC | CAB | OAH | H10 | 112.3° | 60.1° |
CAB | CAA | OAF | OAG | 179.1° | 179.7° |
CAA | CAB | CAC | H2 | 57.3° | 55.0° |
CAA | CAB | CAC | H3 | 62.4° | 65.0° |
CAB | CAA | OAG | H9 | 179.1° | 179.7° |
CAA | CAB | OAH | H10 | 6.8° | 60.0° |
OAF | CAA | CAB | H1 | 135.6° | 125.0° |
OAF | CAA | OAG | H9 | 0.0° | 0.0° |
OAG | CAA | CAB | H1 | 43.6° | 55.3° |
H1 | CAB | CAC | H2 | 177.5° | 65.0° |
H1 | CAB | CAC | H3 | 57.8° | 175.0° |
H1 | CAB | OAH | H10 | 126.5° | 180.0° |
H2 | CAC | CAD | H4 | 55.1° | 180.0° |
H2 | CAC | CAD | H5 | 64.4° | 60.1° |
H3 | CAC | CAD | H4 | 174.9° | 60.0° |
H3 | CAC | CAD | H5 | 55.3° | 179.9° |
H4 | CAD | CAE | H6 | 59.8° | 60.0° |
H4 | CAD | CAE | H7 | 60.2° | 180.0° |
H4 | CAD | CAE | H8 | 179.8° | 60.0° |
H5 | CAD | CAE | H6 | 59.8° | 60.0° |
H5 | CAD | CAE | H7 | 179.8° | 60.0° |
H5 | CAD | CAE | H8 | 60.2° | 180.0° |
H6 | CAE | H7 | H8 | 120.0° | 120.0° |