EAX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAG | doub | 1.21Å | 1.24Å | |
OAD | CAH | sing | 1.43Å | 1.45Å | |
OAA | CAG | sing | 1.34Å | 1.25Å | |
CAH | CAF | sing | 1.53Å | 1.54Å | |
CAH | CAI | sing | 1.53Å | 1.53Å | |
CAG | CAI | sing | 1.51Å | 1.55Å | |
CAF | OAB | sing | 1.43Å | 1.44Å | |
CAI | OAE | sing | 1.43Å | 1.46Å | |
OAB | H1 | sing | 0.97Å | 0.95Å | |
OAA | H2 | sing | 0.97Å | 0.95Å | |
CAI | H3 | sing | 1.09Å | 1.10Å | |
OAE | H4 | sing | 0.97Å | 0.95Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
OAD | H6 | sing | 0.97Å | 0.95Å | |
CAF | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAG | OAA | 124.9° | 120.0° |
OAC | CAG | CAI | 118.4° | 120.0° |
OAD | CAH | CAF | 109.6° | 109.5° |
OAD | CAH | CAI | 112.0° | 109.5° |
OAD | CAH | H5 | 108.7° | 109.5° |
CAH | OAD | H6 | 109.5° | 114.0° |
OAA | CAG | CAI | 116.7° | 120.0° |
CAG | OAA | H2 | 109.5° | 117.0° |
CAF | CAH | CAI | 111.4° | 109.5° |
CAH | CAF | OAB | 110.6° | 109.5° |
CAF | CAH | H5 | 107.5° | 109.4° |
CAH | CAF | H7 | 109.2° | 109.5° |
CAH | CAF | H8 | 109.2° | 109.5° |
CAH | CAI | CAG | 109.3° | 109.5° |
CAH | CAI | OAE | 111.7° | 109.5° |
CAH | CAI | H3 | 108.6° | 109.5° |
CAI | CAH | H5 | 107.6° | 109.5° |
CAG | CAI | OAE | 109.2° | 109.4° |
CAG | CAI | H3 | 108.4° | 109.5° |
CAF | OAB | H1 | 109.5° | 114.1° |
OAB | CAF | H7 | 109.2° | 109.5° |
OAB | CAF | H8 | 109.2° | 109.4° |
OAE | CAI | H3 | 109.6° | 109.4° |
CAI | OAE | H4 | 109.5° | 114.0° |
H7 | CAF | H8 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAG | OAA | CAI | 178.5° | 180.0° |
OAC | CAG | CAI | CAH | 109.8° | 115.0° |
OAC | CAG | CAI | OAE | 12.7° | 5.0° |
OAC | CAG | OAA | H2 | 0.0° | 0.0° |
OAC | CAG | CAI | H3 | 132.0° | 124.9° |
OAD | CAH | CAF | CAI | 124.5° | 120.0° |
OAD | CAH | CAF | H5 | 117.9° | 120.0° |
OAD | CAH | CAI | H5 | 119.4° | 120.0° |
OAD | CAH | CAI | CAG | 66.7° | 60.0° |
OAD | CAH | CAF | OAB | 71.6° | 65.0° |
OAD | CAH | CAI | OAE | 172.4° | 180.0° |
OAD | CAH | CAI | H3 | 51.4° | 60.0° |
OAD | CAH | CAF | H7 | 48.6° | 55.0° |
OAD | CAH | CAF | H8 | 168.2° | 175.0° |
OAA | CAG | CAI | CAH | 71.6° | 65.0° |
OAA | CAG | CAI | OAE | 165.9° | 175.0° |
OAA | CAG | CAI | H3 | 46.6° | 55.1° |
CAF | CAH | CAI | H5 | 117.5° | 120.0° |
CAF | CAH | CAI | CAG | 170.2° | 180.0° |
CAH | CAF | OAB | H7 | 120.2° | 120.1° |
CAH | CAF | OAB | H8 | 120.2° | 120.1° |
CAF | CAH | CAI | OAE | 49.2° | 60.0° |
CAH | CAF | OAB | H1 | 180.0° | 180.0° |
CAF | CAH | CAI | H3 | 71.8° | 60.0° |
CAF | CAH | OAD | H6 | 180.0° | 60.0° |
CAH | CAF | H7 | H8 | 119.5° | 120.0° |
CAH | CAI | CAG | OAE | 122.5° | 120.1° |
CAH | CAI | CAG | H3 | 118.2° | 120.0° |
CAI | CAH | CAF | OAB | 52.9° | 175.0° |
CAH | CAI | OAE | H3 | 120.4° | 120.0° |
CAH | CAI | OAE | H4 | 115.3° | 60.0° |
CAI | CAH | OAD | H6 | 55.8° | 60.0° |
CAI | CAH | CAF | H7 | 173.1° | 64.9° |
CAI | CAH | CAF | H8 | 67.3° | 55.0° |
CAG | CAI | OAE | H3 | 118.6° | 119.9° |
CAI | CAG | OAA | H2 | 178.4° | 180.0° |
CAG | CAI | OAE | H4 | 5.7° | 60.1° |
CAG | CAI | CAH | H5 | 52.7° | 60.0° |
OAB | CAF | CAH | H5 | 170.5° | 55.0° |
OAB | CAF | H7 | H8 | 119.4° | 119.9° |
OAE | CAI | CAH | H5 | 68.3° | 60.0° |
H1 | OAB | CAF | H7 | 59.8° | 59.9° |
H1 | OAB | CAF | H8 | 59.8° | 60.0° |
H3 | CAI | OAE | H4 | 124.3° | 180.0° |
H3 | CAI | CAH | H5 | 170.7° | 179.9° |
H5 | CAH | OAD | H6 | 62.9° | 180.0° |
H5 | CAH | CAF | H7 | 69.3° | 175.1° |
H5 | CAH | CAF | H8 | 50.3° | 65.0° |