3GQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAK | doub | 1.21Å | 1.26Å | |
| CAK | CAN | sing | 1.48Å | 1.41Å | |
| CAK | OAE | sing | 1.35Å | 1.27Å | |
| CAI | CAN | doub | 1.40Å | 1.41Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| OAF | CAL | doub | 1.21Å | 1.26Å | |
| CAO | CAL | sing | 1.48Å | 1.40Å | |
| CAO | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | OAC | sing | 1.35Å | 1.23Å | |
| CAM | CAJ | sing | 1.48Å | 1.39Å | |
| OAD | CAJ | doub | 1.21Å | 1.23Å | |
| CAJ | OAA | sing | 1.35Å | 1.24Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| OAA | H2 | sing | 0.97Å | 0.95Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| OAE | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAK | CAN | 119.8° | 120.1° |
| OAB | CAK | OAE | 119.5° | 120.0° |
| CAN | CAK | OAE | 120.7° | 120.0° |
| CAK | CAN | CAI | 119.2° | 120.2° |
| CAK | CAN | CAO | 120.9° | 120.1° |
| CAK | OAE | H6 | 109.5° | 117.0° |
| CAN | CAI | CAG | 118.8° | 120.3° |
| CAI | CAN | CAO | 119.8° | 119.7° |
| CAN | CAI | H5 | 120.6° | 119.8° |
| CAI | CAG | CAH | 121.6° | 120.6° |
| CAI | CAG | H4 | 119.2° | 119.7° |
| CAG | CAI | H5 | 120.6° | 119.9° |
| CAN | CAO | CAL | 120.0° | 120.2° |
| CAN | CAO | CAM | 119.8° | 119.5° |
| CAG | CAH | CAM | 119.4° | 120.3° |
| CAG | CAH | H3 | 120.3° | 119.9° |
| CAH | CAG | H4 | 119.2° | 119.7° |
| OAF | CAL | CAO | 121.7° | 120.0° |
| OAF | CAL | OAC | 118.4° | 120.0° |
| CAL | CAO | CAM | 120.2° | 120.2° |
| CAO | CAL | OAC | 119.9° | 120.0° |
| CAO | CAM | CAH | 120.4° | 119.7° |
| CAO | CAM | CAJ | 121.6° | 120.1° |
| CAH | CAM | CAJ | 118.0° | 120.2° |
| CAM | CAH | H3 | 120.3° | 119.8° |
| CAL | OAC | H1 | 109.5° | 117.0° |
| CAM | CAJ | OAD | 122.5° | 120.1° |
| CAM | CAJ | OAA | 119.5° | 119.9° |
| OAD | CAJ | OAA | 117.9° | 120.0° |
| CAJ | OAA | H2 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAK | CAN | OAE | 178.5° | 179.9° |
| OAB | CAK | CAN | CAI | 25.2° | 180.0° |
| OAB | CAK | CAN | CAO | 154.3° | 0.5° |
| OAB | CAK | OAE | H6 | 0.0° | 0.0° |
| CAK | CAN | CAI | CAO | 179.5° | 179.4° |
| CAK | CAN | CAI | CAG | 179.7° | 180.0° |
| CAK | CAN | CAO | CAL | 0.4° | 0.3° |
| CAK | CAN | CAO | CAM | 179.9° | 180.0° |
| CAK | CAN | CAI | H5 | 0.2° | 0.6° |
| CAN | CAK | OAE | H6 | 178.6° | 180.0° |
| OAE | CAK | CAN | CAI | 153.4° | 0.0° |
| OAE | CAK | CAN | CAO | 27.1° | 179.4° |
| CAN | CAI | CAG | H5 | 180.0° | 179.4° |
| CAN | CAI | CAG | CAH | 0.1° | 0.3° |
| CAI | CAN | CAO | CAL | 180.0° | 179.7° |
| CAI | CAN | CAO | CAM | 0.5° | 0.6° |
| CAN | CAI | CAG | H4 | 179.9° | 179.6° |
| CAG | CAI | CAN | CAO | 0.7° | 0.6° |
| CAI | CAG | CAH | H4 | 180.0° | 180.0° |
| CAI | CAG | CAH | CAM | 1.1° | 0.0° |
| CAI | CAG | CAH | H3 | 179.0° | 179.9° |
| CAN | CAO | CAL | OAF | 84.7° | 90.3° |
| CAN | CAO | CAL | CAM | 179.5° | 179.7° |
| CAN | CAO | CAM | CAH | 0.5° | 0.3° |
| CAN | CAO | CAL | OAC | 95.5° | 89.7° |
| CAN | CAO | CAM | CAJ | 178.3° | 179.7° |
| CAO | CAN | CAI | H5 | 179.3° | 180.0° |
| CAG | CAH | CAM | CAO | 1.3° | 0.0° |
| CAG | CAH | CAM | H3 | 180.0° | 179.9° |
| CAG | CAH | CAM | CAJ | 179.2° | 180.0° |
| CAH | CAG | CAI | H5 | 179.9° | 179.7° |
| OAF | CAL | CAO | OAC | 179.8° | 180.0° |
| OAF | CAL | CAO | CAM | 95.8° | 90.0° |
| OAF | CAL | OAC | H1 | 0.0° | 0.0° |
| CAL | CAO | CAM | CAH | 179.0° | 180.0° |
| CAL | CAO | CAM | CAJ | 1.2° | 0.0° |
| CAO | CAL | OAC | H1 | 179.8° | 180.0° |
| CAO | CAM | CAH | CAJ | 177.9° | 180.0° |
| CAM | CAO | CAL | OAC | 84.0° | 90.0° |
| CAO | CAM | CAJ | OAD | 72.6° | 0.0° |
| CAO | CAM | CAJ | OAA | 102.9° | 180.0° |
| CAO | CAM | CAH | H3 | 178.8° | 180.0° |
| CAH | CAM | CAJ | OAD | 109.5° | 180.0° |
| CAH | CAM | CAJ | OAA | 75.0° | 0.1° |
| CAM | CAH | CAG | H4 | 178.9° | 180.0° |
| CAM | CAJ | OAD | OAA | 175.6° | 180.0° |
| CAM | CAJ | OAA | H2 | 175.7° | 180.0° |
| CAJ | CAM | CAH | H3 | 0.8° | 0.1° |
| OAD | CAJ | OAA | H2 | 0.0° | 0.1° |
| H3 | CAH | CAG | H4 | 1.1° | 0.1° |
| H4 | CAG | CAI | H5 | 0.1° | 0.3° |
