GTQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | OAA | sing | 1.35Å | 1.26Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | CAH | doub | 1.21Å | 1.26Å | |
| OAC | CAI | sing | 1.36Å | 1.35Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAJ | OAD | sing | 1.36Å | 1.36Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAI | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAJ | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAK | sing | 1.47Å | 1.57Å | |
| CAK | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | OAA | HOAA | 109.5° | 117.0° |
| OAA | CAH | OAB | 122.7° | 120.0° |
| OAA | CAH | CAK | 120.6° | 120.0° |
| OAB | CAH | CAK | 116.7° | 120.0° |
| CAI | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAI | CAE | 118.8° | 119.9° |
| OAC | CAI | CAG | 121.5° | 119.9° |
| CAJ | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAJ | CAF | 117.5° | 120.1° |
| OAD | CAJ | CAK | 123.0° | 120.1° |
| CAI | CAE | CAF | 119.2° | 120.3° |
| CAI | CAE | HAE | 120.4° | 119.9° |
| CAE | CAI | CAG | 119.7° | 120.3° |
| CAF | CAE | HAE | 120.4° | 119.8° |
| CAE | CAF | CAJ | 122.2° | 120.2° |
| CAE | CAF | HAF | 118.9° | 119.9° |
| CAJ | CAF | HAF | 118.9° | 119.9° |
| CAF | CAJ | CAK | 119.5° | 119.8° |
| CAK | CAG | CAI | 121.4° | 119.8° |
| CAK | CAG | HAG | 119.3° | 120.0° |
| CAG | CAK | CAH | 119.4° | 120.2° |
| CAG | CAK | CAJ | 118.0° | 119.7° |
| CAI | CAG | HAG | 119.3° | 120.1° |
| CAH | CAK | CAJ | 122.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAH | OAB | CAK | 179.2° | 179.9° |
| OAA | CAH | CAK | CAG | 107.8° | 0.0° |
| OAA | CAH | CAK | CAJ | 72.7° | 179.2° |
| HOAA | OAA | CAH | OAB | 0.0° | 0.0° |
| HOAA | OAA | CAH | CAK | 179.1° | 180.0° |
| OAB | CAH | CAK | CAG | 71.4° | 180.0° |
| OAB | CAH | CAK | CAJ | 108.1° | 0.8° |
| OAC | CAI | CAE | CAG | 179.1° | 180.0° |
| OAC | CAI | CAE | CAF | 179.9° | 180.0° |
| OAC | CAI | CAE | HAE | 0.1° | 0.4° |
| OAC | CAI | CAG | CAK | 179.8° | 179.4° |
| OAC | CAI | CAG | HAG | 0.2° | 0.6° |
| HOAC | OAC | CAI | CAE | 180.0° | 90.1° |
| HOAC | OAC | CAI | CAG | 0.9° | 90.0° |
| OAD | CAJ | CAF | CAE | 179.7° | 180.0° |
| OAD | CAJ | CAF | CAK | 179.8° | 180.0° |
| OAD | CAJ | CAF | HAF | 0.3° | 0.0° |
| OAD | CAJ | CAK | CAG | 180.0° | 179.5° |
| OAD | CAJ | CAK | CAH | 0.5° | 0.3° |
| HOAD | OAD | CAJ | CAF | 180.0° | 90.1° |
| HOAD | OAD | CAJ | CAK | 0.1° | 90.0° |
| CAI | CAE | CAF | HAE | 180.0° | 179.7° |
| CAI | CAE | CAF | CAJ | 0.2° | 0.2° |
| CAI | CAE | CAF | HAF | 179.8° | 179.7° |
| CAE | CAI | CAG | CAK | 1.1° | 0.5° |
| CAE | CAI | CAG | HAG | 178.9° | 179.5° |
| CAE | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAF | CAE | CAI | CAG | 0.8° | 0.0° |
| CAE | CAF | CAJ | CAK | 0.1° | 0.0° |
| HAE | CAE | CAF | CAJ | 179.8° | 179.9° |
| HAE | CAE | CAF | HAF | 0.2° | 0.1° |
| HAE | CAE | CAI | CAG | 179.2° | 179.7° |
| CAF | CAJ | CAK | CAG | 0.2° | 0.6° |
| CAF | CAJ | CAK | CAH | 179.7° | 179.8° |
| HAF | CAF | CAJ | CAK | 179.9° | 180.0° |
| CAK | CAG | CAI | HAG | 180.0° | 180.0° |
| CAG | CAK | CAH | CAJ | 179.5° | 179.2° |
| CAI | CAG | CAK | CAH | 179.7° | 180.0° |
| CAI | CAG | CAK | CAJ | 0.8° | 0.8° |
| HAG | CAG | CAK | CAH | 0.3° | 0.0° |
| HAG | CAG | CAK | CAJ | 179.2° | 179.2° |
