GQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NBE | sing | 1.47Å | 1.48Å | |
| NBE | CAB | sing | 1.46Å | 1.48Å | |
| NBE | CBA | sing | 1.39Å | 1.35Å | |
| CBA | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CBA | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | NBG | doub | 1.32Å | 1.41Å | Aromatic |
| CAL | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | NBG | sing | 1.32Å | 1.40Å | Aromatic |
| NBG | CAS | sing | 1.46Å | 1.49Å | |
| CAS | CAX | sing | 1.51Å | 1.41Å | |
| CAX | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAY | sing | 1.48Å | 1.40Å | |
| CAY | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAY | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | NBE | CAB | 120.9° | 120.0° |
| CAA | NBE | CBA | 120.2° | 120.0° |
| NBE | CAA | HAA1 | 109.5° | 109.5° |
| NBE | CAA | HAA2 | 109.5° | 109.4° |
| NBE | CAA | HAA3 | 109.5° | 109.5° |
| CAB | NBE | CBA | 118.6° | 120.0° |
| NBE | CAB | HAB1 | 109.5° | 109.5° |
| NBE | CAB | HAB2 | 109.5° | 109.5° |
| NBE | CAB | HAB3 | 109.5° | 109.5° |
| NBE | CBA | CAM | 119.1° | 120.9° |
| NBE | CBA | CAL | 121.8° | 120.9° |
| CAM | CBA | CAL | 119.1° | 118.2° |
| CBA | CAM | CAP | 119.6° | 119.1° |
| CBA | CAM | HAM | 120.2° | 120.4° |
| CBA | CAL | CAO | 122.0° | 119.1° |
| CBA | CAL | HAL | 119.0° | 120.5° |
| CAM | CAP | NBG | 121.5° | 120.9° |
| CAP | CAM | HAM | 120.2° | 120.5° |
| CAM | CAP | HAP | 119.3° | 119.6° |
| CAP | NBG | CAO | 119.1° | 121.9° |
| CAP | NBG | CAS | 119.1° | 119.1° |
| NBG | CAP | HAP | 119.2° | 119.5° |
| CAL | CAO | NBG | 118.7° | 120.8° |
| CAO | CAL | HAL | 119.0° | 120.4° |
| CAL | CAO | HAO | 120.6° | 119.6° |
| CAO | NBG | CAS | 121.7° | 119.1° |
| NBG | CAO | HAO | 120.7° | 119.6° |
| NBG | CAS | CAX | 104.4° | 109.4° |
| NBG | CAS | HAS1 | 110.7° | 109.5° |
| NBG | CAS | HAS2 | 110.7° | 109.5° |
| CAS | CAX | CAG | 120.4° | 119.9° |
| CAS | CAX | CAF | 119.9° | 119.9° |
| CAX | CAS | HAS1 | 110.7° | 109.4° |
| CAX | CAS | HAS2 | 110.7° | 109.4° |
| CAG | CAX | CAF | 119.6° | 120.3° |
| CAX | CAG | CAK | 119.5° | 120.1° |
| CAX | CAG | HAG | 120.2° | 119.9° |
| CAX | CAF | CAJ | 121.2° | 120.1° |
| CAX | CAF | HAF | 119.4° | 119.9° |
| CAG | CAK | CAZ | 120.5° | 119.9° |
| CAK | CAG | HAG | 120.3° | 120.0° |
| CAG | CAK | HAK | 119.7° | 120.0° |
| CAK | CAZ | CAJ | 119.6° | 119.7° |
| CAK | CAZ | CAY | 120.2° | 120.1° |
| CAZ | CAK | HAK | 119.7° | 120.1° |
| CAF | CAJ | CAZ | 119.5° | 119.9° |
| CAJ | CAF | HAF | 119.4° | 120.0° |
| CAF | CAJ | HAJ | 120.3° | 120.0° |
| CAJ | CAZ | CAY | 120.1° | 120.1° |
| CAZ | CAJ | HAJ | 120.3° | 120.1° |
| CAZ | CAY | CAI | 119.7° | 120.1° |
| CAZ | CAY | CAH | 120.7° | 120.1° |
| CAI | CAY | CAH | 119.6° | 119.8° |
| CAY | CAI | CAE | 120.8° | 119.8° |
| CAY | CAI | HAI | 119.6° | 120.0° |
| CAY | CAH | CAD | 119.7° | 119.8° |
| CAY | CAH | HAH | 120.2° | 120.1° |
| CAI | CAE | CAW | 119.5° | 120.1° |
| CAE | CAI | HAI | 119.6° | 120.1° |
| CAI | CAE | HAE | 120.3° | 119.9° |
| CAE | CAW | CAD | 120.0° | 120.3° |
| CAW | CAE | HAE | 120.2° | 120.0° |
| CAE | CAW | HAW | 120.0° | 119.8° |
| CAH | CAD | CAW | 120.4° | 120.1° |
| CAD | CAH | HAH | 120.2° | 120.1° |
| CAH | CAD | HAD | 119.8° | 119.9° |
| CAD | CAW | HAW | 120.0° | 119.9° |
| CAW | CAD | HAD | 119.8° | 119.9° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.4° | 109.4° |
| HAB1 | CAB | HAB3 | 109.4° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.4° |
| HAS1 | CAS | HAS2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | NBE | CAB | CBA | 174.4° | 179.9° |
| CAA | NBE | CBA | CAM | 179.9° | 0.0° |
| CAA | NBE | CBA | CAL | 1.8° | 179.8° |
| NBE | CAA | HAA1 | HAA2 | 120.0° | 119.9° |
| NBE | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| NBE | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | NBE | CAB | HAB1 | 180.0° | 90.0° |
| CAA | NBE | CAB | HAB2 | 60.0° | 150.0° |
| CAA | NBE | CAB | HAB3 | 60.0° | 30.1° |
| CAB | NBE | CBA | CAM | 5.6° | 180.0° |
| CAB | NBE | CBA | CAL | 172.7° | 0.3° |
| CAB | NBE | CAA | HAA1 | 180.0° | 0.1° |
| CAB | NBE | CAA | HAA2 | 60.0° | 120.0° |
| CAB | NBE | CAA | HAA3 | 60.0° | 120.0° |
| NBE | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NBE | CAB | HAB1 | HAB3 | 120.0° | 120.1° |
| NBE | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NBE | CBA | CAM | CAL | 178.4° | 179.7° |
| NBE | CBA | CAM | CAP | 178.4° | 180.0° |
| NBE | CBA | CAL | CAO | 179.0° | 180.0° |
| CBA | NBE | CAA | HAA1 | 5.7° | 180.0° |
| CBA | NBE | CAA | HAA2 | 114.4° | 60.0° |
| CBA | NBE | CAA | HAA3 | 125.6° | 59.9° |
| CBA | NBE | CAB | HAB1 | 5.6° | 90.0° |
| CBA | NBE | CAB | HAB2 | 125.6° | 30.0° |
| CBA | NBE | CAB | HAB3 | 114.4° | 150.0° |
| NBE | CBA | CAM | HAM | 1.6° | 0.1° |
| NBE | CBA | CAL | HAL | 1.0° | 0.0° |
| CBA | CAM | CAP | HAM | 180.0° | 180.0° |
| CBA | CAM | CAP | NBG | 1.2° | 0.0° |
| CAM | CBA | CAL | CAO | 0.7° | 0.2° |
| CAM | CBA | CAL | HAL | 179.3° | 179.7° |
| CBA | CAM | CAP | HAP | 178.7° | 180.0° |
| CAL | CBA | CAM | CAP | 0.1° | 0.3° |
| CBA | CAL | CAO | HAL | 180.0° | 180.0° |
| CBA | CAL | CAO | NBG | 0.1° | 0.0° |
| CAL | CBA | CAM | HAM | 179.9° | 179.8° |
| CBA | CAL | CAO | HAO | 179.9° | 180.0° |
| CAM | CAP | NBG | HAP | 180.0° | 179.9° |
| CAM | CAP | NBG | CAO | 1.9° | 0.2° |
| CAM | CAP | NBG | CAS | 179.0° | 180.0° |
| CAP | NBG | CAO | CAL | 1.2° | 0.2° |
| CAP | NBG | CAO | CAS | 177.0° | 179.8° |
| CAP | NBG | CAS | CAX | 58.4° | 90.0° |
| NBG | CAP | CAM | HAM | 178.7° | 180.0° |
| CAP | NBG | CAO | HAO | 178.8° | 179.8° |
| CAP | NBG | CAS | HAS1 | 177.6° | 150.0° |
| CAP | NBG | CAS | HAS2 | 60.8° | 29.9° |
| CAL | CAO | NBG | HAO | 180.0° | 180.0° |
| CAL | CAO | NBG | CAS | 178.2° | 180.0° |
| CAO | NBG | CAS | CAX | 118.6° | 89.8° |
| NBG | CAO | CAL | HAL | 180.0° | 179.9° |
| CAO | NBG | CAP | HAP | 178.1° | 179.8° |
| CAO | NBG | CAS | HAS1 | 0.6° | 30.2° |
| CAO | NBG | CAS | HAS2 | 122.2° | 150.2° |
| NBG | CAS | CAX | HAS1 | 119.2° | 120.0° |
| NBG | CAS | CAX | HAS2 | 119.2° | 120.0° |
| NBG | CAS | CAX | CAG | 77.5° | 90.0° |
| NBG | CAS | CAX | CAF | 99.0° | 90.3° |
| CAS | NBG | CAP | HAP | 1.0° | 0.1° |
| CAS | NBG | CAO | HAO | 1.8° | 0.1° |
| NBG | CAS | HAS1 | HAS2 | 122.3° | 120.1° |
| CAS | CAX | CAG | CAF | 176.5° | 179.7° |
| CAS | CAX | CAG | CAK | 178.4° | 180.0° |
| CAS | CAX | CAF | CAJ | 178.3° | 180.0° |
| CAX | CAS | HAS1 | HAS2 | 122.4° | 120.0° |
| CAS | CAX | CAG | HAG | 1.6° | 0.1° |
| CAS | CAX | CAF | HAF | 1.6° | 0.0° |
| CAX | CAG | CAK | HAG | 180.0° | 179.9° |
| CAX | CAG | CAK | CAZ | 1.3° | 0.0° |
| CAG | CAX | CAF | CAJ | 1.8° | 0.3° |
| CAG | CAX | CAS | HAS1 | 41.7° | 30.0° |
| CAG | CAX | CAS | HAS2 | 163.3° | 150.0° |
| CAG | CAX | CAF | HAF | 178.1° | 179.8° |
| CAX | CAG | CAK | HAK | 178.7° | 180.0° |
| CAF | CAX | CAG | CAK | 1.9° | 0.3° |
| CAX | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAX | CAF | CAJ | CAZ | 1.0° | 0.0° |
| CAF | CAX | CAS | HAS1 | 141.8° | 149.7° |
| CAF | CAX | CAS | HAS2 | 20.2° | 29.7° |
| CAF | CAX | CAG | HAG | 178.1° | 179.7° |
| CAX | CAF | CAJ | HAJ | 179.0° | 180.0° |
| CAG | CAK | CAZ | HAK | 180.0° | 180.0° |
| CAG | CAK | CAZ | CAJ | 0.5° | 0.3° |
| CAG | CAK | CAZ | CAY | 179.4° | 180.0° |
| CAK | CAZ | CAJ | CAF | 0.4° | 0.3° |
| CAK | CAZ | CAJ | CAY | 179.9° | 179.7° |
| CAK | CAZ | CAY | CAI | 138.4° | 180.0° |
| CAK | CAZ | CAY | CAH | 40.6° | 0.3° |
| CAZ | CAK | CAG | HAG | 178.7° | 179.9° |
| CAK | CAZ | CAJ | HAJ | 179.7° | 179.7° |
| CAF | CAJ | CAZ | HAJ | 180.0° | 180.0° |
| CAF | CAJ | CAZ | CAY | 179.5° | 180.0° |
| CAJ | CAZ | CAY | CAI | 41.5° | 0.2° |
| CAJ | CAZ | CAY | CAH | 139.5° | 180.0° |
| CAZ | CAJ | CAF | HAF | 178.9° | 180.0° |
| CAJ | CAZ | CAK | HAK | 179.5° | 179.8° |
| CAZ | CAY | CAI | CAH | 179.0° | 179.7° |
| CAZ | CAY | CAI | CAE | 179.6° | 179.9° |
| CAZ | CAY | CAH | CAD | 179.1° | 180.0° |
| CAY | CAZ | CAK | HAK | 0.6° | 0.0° |
| CAY | CAZ | CAJ | HAJ | 0.4° | 0.0° |
| CAZ | CAY | CAI | HAI | 0.4° | 0.0° |
| CAZ | CAY | CAH | HAH | 0.8° | 0.1° |
| CAY | CAI | CAE | HAI | 180.0° | 179.9° |
| CAY | CAI | CAE | CAW | 0.7° | 0.1° |
| CAI | CAY | CAH | CAD | 0.1° | 0.3° |
| CAI | CAY | CAH | HAH | 179.8° | 179.8° |
| CAY | CAI | CAE | HAE | 179.2° | 180.0° |
| CAH | CAY | CAI | CAE | 0.6° | 0.2° |
| CAY | CAH | CAD | HAH | 180.0° | 179.9° |
| CAY | CAH | CAD | CAW | 0.1° | 0.0° |
| CAH | CAY | CAI | HAI | 179.4° | 179.7° |
| CAY | CAH | CAD | HAD | 179.9° | 180.0° |
| CAI | CAE | CAW | HAE | 180.0° | 180.0° |
| CAI | CAE | CAW | CAD | 0.4° | 0.3° |
| CAI | CAE | CAW | HAW | 179.6° | 179.9° |
| CAE | CAW | CAD | CAH | 0.0° | 0.3° |
| CAE | CAW | CAD | HAW | 180.0° | 179.7° |
| CAW | CAE | CAI | HAI | 179.3° | 180.0° |
| CAE | CAW | CAD | HAD | 180.0° | 179.7° |
| CAH | CAD | CAW | HAD | 180.0° | 180.0° |
| CAH | CAD | CAW | HAW | 180.0° | 180.0° |
| CAW | CAD | CAH | HAH | 179.9° | 179.9° |
| CAD | CAW | CAE | HAE | 179.5° | 179.7° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAM | CAM | CAP | HAP | 1.3° | 0.0° |
| HAL | CAL | CAO | HAO | 0.1° | 0.0° |
| HAG | CAG | CAK | HAK | 1.3° | 0.1° |
| HAF | CAF | CAJ | HAJ | 1.1° | 0.0° |
| HAI | CAI | CAE | HAE | 0.8° | 0.1° |
| HAH | CAH | CAD | HAD | 0.1° | 0.1° |
| HAE | CAE | CAW | HAW | 0.4° | 0.0° |
| HAW | CAW | CAD | HAD | 0.0° | 0.0° |
