GDE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAH | sing | 1.35Å | 1.27Å | |
OAB | CAH | doub | 1.21Å | 1.26Å | |
OAC | CAI | sing | 1.36Å | 1.36Å | |
OAD | CAJ | sing | 1.36Å | 1.34Å | |
OAE | CAL | sing | 1.36Å | 1.39Å | |
CAF | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAK | sing | 1.40Å | 1.39Å | Aromatic |
CAG | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
CAG | CAK | doub | 1.40Å | 1.38Å | Aromatic |
CAH | CAK | sing | 1.48Å | 1.51Å | |
CAI | CAL | sing | 1.39Å | 1.39Å | Aromatic |
CAJ | CAL | doub | 1.39Å | 1.40Å | Aromatic |
OAA | HOAA | sing | 0.97Å | 0.95Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
OAE | HOAE | sing | 0.97Å | 0.95Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAH | OAB | 121.8° | 120.0° |
OAA | CAH | CAK | 119.5° | 120.0° |
CAH | OAA | HOAA | 109.5° | 117.0° |
OAB | CAH | CAK | 118.6° | 120.0° |
OAC | CAI | CAF | 119.9° | 120.0° |
OAC | CAI | CAL | 119.6° | 120.0° |
CAI | OAC | HOAC | 109.5° | 114.0° |
OAD | CAJ | CAG | 116.7° | 120.0° |
OAD | CAJ | CAL | 121.6° | 119.9° |
CAJ | OAD | HOAD | 109.5° | 114.0° |
OAE | CAL | CAI | 119.5° | 119.9° |
OAE | CAL | CAJ | 122.6° | 120.0° |
CAL | OAE | HOAE | 109.5° | 114.0° |
CAI | CAF | CAK | 121.2° | 119.9° |
CAF | CAI | CAL | 120.4° | 120.0° |
CAI | CAF | HAF | 119.4° | 120.0° |
CAF | CAK | CAG | 118.5° | 119.9° |
CAF | CAK | CAH | 121.9° | 120.0° |
CAK | CAF | HAF | 119.4° | 120.1° |
CAJ | CAG | CAK | 120.4° | 119.9° |
CAG | CAJ | CAL | 121.6° | 120.1° |
CAJ | CAG | HAG | 119.8° | 120.1° |
CAG | CAK | CAH | 119.5° | 120.1° |
CAK | CAG | HAG | 119.8° | 120.0° |
CAI | CAL | CAJ | 117.9° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAH | OAB | CAK | 176.1° | 179.9° |
OAA | CAH | CAK | CAF | 14.1° | 180.0° |
OAA | CAH | CAK | CAG | 163.9° | 0.0° |
OAB | CAH | CAK | CAF | 169.7° | 0.0° |
OAB | CAH | CAK | CAG | 12.3° | 180.0° |
OAB | CAH | OAA | HOAA | 0.0° | 0.1° |
OAC | CAI | CAL | OAE | 0.4° | 0.0° |
OAC | CAI | CAF | CAL | 179.3° | 180.0° |
OAC | CAI | CAF | CAK | 179.4° | 180.0° |
OAC | CAI | CAL | CAJ | 179.9° | 180.0° |
OAC | CAI | CAF | HAF | 0.6° | 0.3° |
OAD | CAJ | CAL | OAE | 0.1° | 0.0° |
OAD | CAJ | CAG | CAL | 179.4° | 180.0° |
OAD | CAJ | CAG | CAK | 179.6° | 180.0° |
OAD | CAJ | CAL | CAI | 179.6° | 180.0° |
OAD | CAJ | CAG | HAG | 0.4° | 0.0° |
OAE | CAL | CAI | CAF | 179.8° | 180.0° |
OAE | CAL | CAJ | CAG | 179.3° | 180.0° |
OAE | CAL | CAI | CAJ | 179.7° | 180.0° |
CAI | CAF | CAK | HAF | 180.0° | 179.7° |
CAI | CAF | CAK | CAG | 0.1° | 0.0° |
CAI | CAF | CAK | CAH | 178.0° | 180.0° |
CAF | CAI | CAL | CAJ | 0.6° | 0.0° |
CAF | CAI | OAC | HOAC | 180.0° | 90.0° |
CAF | CAK | CAG | CAJ | 0.5° | 0.0° |
CAF | CAK | CAG | CAH | 178.1° | 180.0° |
CAK | CAF | CAI | CAL | 0.1° | 0.0° |
CAF | CAK | CAG | HAG | 179.5° | 180.0° |
CAJ | CAG | CAK | HAG | 180.0° | 180.0° |
CAJ | CAG | CAK | CAH | 177.6° | 180.0° |
CAG | CAJ | CAL | CAI | 1.1° | 0.0° |
CAG | CAJ | OAD | HOAD | 180.0° | 89.9° |
CAK | CAG | CAJ | CAL | 1.0° | 0.0° |
CAG | CAK | CAF | HAF | 179.9° | 179.7° |
CAK | CAH | OAA | HOAA | 176.1° | 180.0° |
CAH | CAK | CAF | HAF | 2.0° | 0.2° |
CAH | CAK | CAG | HAG | 2.4° | 0.0° |
CAL | CAI | OAC | HOAC | 0.7° | 90.0° |
CAI | CAL | OAE | HOAE | 180.0° | 90.0° |
CAL | CAI | CAF | HAF | 179.9° | 179.7° |
CAL | CAJ | OAD | HOAD | 0.6° | 90.1° |
CAJ | CAL | OAE | HOAE | 0.4° | 90.0° |
CAL | CAJ | CAG | HAG | 179.0° | 180.0° |