QV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | OAA | doub | 1.21Å | 1.23Å | |
| OAB | CAV | doub | 1.22Å | 1.23Å | |
| OAC | SBA | doub | 1.42Å | 1.50Å | |
| SBA | OAD | sing | 1.52Å | 1.50Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| SBA | OAE | doub | 1.42Å | 1.43Å | |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAL | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAN | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAW | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAT | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAY | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| NAQ | CAR | sing | 1.40Å | 1.34Å | |
| NAQ | CAT | sing | 1.39Å | 1.35Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAS | SBA | sing | 1.76Å | 1.75Å | |
| CAZ | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAW | CAU | sing | 1.48Å | 1.39Å | |
| CAY | CAU | sing | 1.48Å | 1.40Å | |
| CAV | CAX | sing | 1.48Å | 1.40Å | |
| CAV | CAZ | sing | 1.47Å | 1.40Å | |
| CAX | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CAZ | CAY | doub | 1.41Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAU | CAW | 119.8° | 120.4° |
| OAA | CAU | CAY | 120.1° | 120.4° |
| OAB | CAV | CAX | 119.6° | 120.4° |
| OAB | CAV | CAZ | 120.2° | 120.4° |
| OAC | SBA | OAD | 109.3° | 106.4° |
| OAC | SBA | OAE | 108.6° | 123.2° |
| OAC | SBA | CAS | 109.4° | 106.4° |
| SBA | OAD | HOAD | 109.5° | 114.0° |
| OAD | SBA | OAE | 110.4° | 106.4° |
| OAD | SBA | CAS | 109.5° | 107.2° |
| OAE | SBA | CAS | 109.6° | 106.4° |
| CAH | CAF | CAG | 119.9° | 120.2° |
| CAH | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | CAL | 119.9° | 120.1° |
| CAF | CAH | HAH | 120.1° | 120.0° |
| CAG | CAF | HAF | 120.1° | 119.9° |
| CAF | CAG | CAK | 120.0° | 120.0° |
| CAF | CAG | HAG | 120.0° | 120.0° |
| CAK | CAG | HAG | 120.0° | 119.9° |
| CAG | CAK | CAR | 120.6° | 119.9° |
| CAG | CAK | HAK | 119.7° | 120.0° |
| CAL | CAH | HAH | 120.0° | 119.9° |
| CAH | CAL | CAR | 120.7° | 119.9° |
| CAH | CAL | HAL | 119.6° | 120.0° |
| CAJ | CAI | CAM | 119.6° | 120.5° |
| CAJ | CAI | HAI | 120.2° | 119.7° |
| CAI | CAJ | CAN | 120.4° | 120.5° |
| CAI | CAJ | HAJ | 119.8° | 119.8° |
| CAM | CAI | HAI | 120.2° | 119.8° |
| CAI | CAM | CAW | 120.3° | 119.8° |
| CAI | CAM | HAM | 119.9° | 120.1° |
| CAN | CAJ | HAJ | 119.8° | 119.8° |
| CAJ | CAN | CAX | 120.3° | 119.8° |
| CAJ | CAN | HAN | 119.8° | 120.1° |
| CAR | CAK | HAK | 119.7° | 120.0° |
| CAK | CAR | CAL | 118.9° | 119.8° |
| CAK | CAR | NAQ | 123.4° | 120.1° |
| CAR | CAL | HAL | 119.6° | 120.0° |
| CAL | CAR | NAQ | 117.7° | 120.1° |
| CAW | CAM | HAM | 119.9° | 120.1° |
| CAM | CAW | CAU | 120.0° | 120.6° |
| CAM | CAW | CAX | 120.3° | 119.8° |
| CAX | CAN | HAN | 119.8° | 120.1° |
| CAN | CAX | CAV | 120.5° | 120.6° |
| CAN | CAX | CAW | 119.2° | 119.7° |
| CAT | CAO | CAS | 120.9° | 120.4° |
| CAT | CAO | HAO | 119.6° | 119.8° |
| CAO | CAT | NAQ | 121.8° | 120.2° |
| CAO | CAT | CAZ | 119.0° | 119.6° |
| CAS | CAO | HAO | 119.5° | 119.8° |
| CAO | CAS | CAP | 119.9° | 120.6° |
| CAO | CAS | SBA | 120.8° | 119.7° |
| CAY | CAP | CAS | 120.2° | 120.0° |
| CAY | CAP | HAP | 119.9° | 120.0° |
| CAP | CAY | CAU | 119.0° | 120.6° |
| CAP | CAY | CAZ | 120.2° | 119.7° |
| CAS | CAP | HAP | 119.9° | 120.0° |
| CAP | CAS | SBA | 119.4° | 119.7° |
| CAR | NAQ | CAT | 128.7° | 120.0° |
| CAR | NAQ | HNAQ | 115.7° | 120.0° |
| CAT | NAQ | HNAQ | 115.7° | 120.0° |
| NAQ | CAT | CAZ | 119.2° | 120.1° |
| CAT | CAZ | CAV | 121.3° | 120.6° |
| CAT | CAZ | CAY | 119.8° | 119.7° |
| CAW | CAU | CAY | 120.1° | 119.1° |
| CAU | CAW | CAX | 119.7° | 119.6° |
| CAU | CAY | CAZ | 120.8° | 119.8° |
| CAX | CAV | CAZ | 120.2° | 119.3° |
| CAV | CAX | CAW | 120.3° | 119.7° |
| CAV | CAZ | CAY | 118.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAU | CAW | CAM | 0.1° | 13.7° |
| OAA | CAU | CAY | CAP | 0.0° | 13.7° |
| OAA | CAU | CAW | CAY | 179.8° | 179.9° |
| OAA | CAU | CAW | CAX | 179.9° | 166.9° |
| OAA | CAU | CAY | CAZ | 179.9° | 167.1° |
| OAB | CAV | CAX | CAN | 0.1° | 13.8° |
| OAB | CAV | CAZ | CAT | 0.1° | 13.8° |
| OAB | CAV | CAX | CAZ | 179.9° | 179.9° |
| OAB | CAV | CAX | CAW | 180.0° | 165.9° |
| OAB | CAV | CAZ | CAY | 179.9° | 165.6° |
| OAC | SBA | OAD | OAE | 119.4° | 133.0° |
| OAC | SBA | OAD | CAS | 119.9° | 113.5° |
| OAC | SBA | OAD | HOAD | 119.4° | 66.5° |
| OAC | SBA | OAE | CAS | 119.5° | 122.9° |
| OAC | SBA | CAS | CAO | 73.6° | 156.5° |
| OAC | SBA | CAS | CAP | 106.1° | 22.4° |
| OAD | SBA | OAE | CAS | 120.6° | 114.1° |
| OAD | SBA | CAS | CAO | 46.2° | 90.0° |
| OAD | SBA | CAS | CAP | 134.1° | 91.2° |
| HOAD | OAD | SBA | OAE | 0.0° | 66.5° |
| HOAD | OAD | SBA | CAS | 120.7° | 180.0° |
| OAE | SBA | CAS | CAO | 167.4° | 23.5° |
| OAE | SBA | CAS | CAP | 12.9° | 155.3° |
| CAH | CAF | CAG | HAF | 180.0° | 179.8° |
| CAH | CAF | CAG | CAK | 0.1° | 0.3° |
| CAH | CAF | CAG | HAG | 180.0° | 179.7° |
| CAF | CAH | CAL | HAH | 180.0° | 180.0° |
| CAF | CAH | CAL | CAR | 0.2° | 0.5° |
| CAF | CAH | CAL | HAL | 179.8° | 179.9° |
| CAF | CAG | CAK | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAL | 0.0° | 0.0° |
| CAG | CAF | CAH | HAH | 180.0° | 180.0° |
| CAF | CAG | CAK | CAR | 0.3° | 0.0° |
| CAF | CAG | CAK | HAK | 179.7° | 180.0° |
| HAF | CAF | CAG | CAK | 180.0° | 179.9° |
| HAF | CAF | CAG | HAG | 0.0° | 0.0° |
| HAF | CAF | CAH | CAL | 180.0° | 179.8° |
| HAF | CAF | CAH | HAH | 0.0° | 0.2° |
| CAG | CAK | CAR | HAK | 180.0° | 179.9° |
| CAG | CAK | CAR | CAL | 0.5° | 0.6° |
| CAG | CAK | CAR | NAQ | 179.9° | 179.7° |
| HAG | CAG | CAK | CAR | 179.7° | 180.0° |
| HAG | CAG | CAK | HAK | 0.2° | 0.0° |
| CAH | CAL | CAR | CAK | 0.4° | 0.8° |
| CAH | CAL | CAR | HAL | 180.0° | 179.5° |
| CAH | CAL | CAR | NAQ | 179.9° | 180.0° |
| HAH | CAH | CAL | CAR | 179.8° | 179.4° |
| HAH | CAH | CAL | HAL | 0.2° | 0.1° |
| CAJ | CAI | CAM | HAI | 180.0° | 179.5° |
| CAI | CAJ | CAN | HAJ | 180.0° | 179.8° |
| CAJ | CAI | CAM | CAW | 0.2° | 0.4° |
| CAJ | CAI | CAM | HAM | 179.8° | 179.6° |
| CAI | CAJ | CAN | CAX | 0.4° | 0.1° |
| CAI | CAJ | CAN | HAN | 179.6° | 179.9° |
| CAM | CAI | CAJ | CAN | 0.4° | 0.2° |
| CAM | CAI | CAJ | HAJ | 179.6° | 180.0° |
| CAI | CAM | CAW | HAM | 180.0° | 180.0° |
| CAI | CAM | CAW | CAU | 179.9° | 179.9° |
| CAI | CAM | CAW | CAX | 0.0° | 0.6° |
| HAI | CAI | CAJ | CAN | 179.6° | 179.7° |
| HAI | CAI | CAJ | HAJ | 0.4° | 0.5° |
| HAI | CAI | CAM | CAW | 179.8° | 179.9° |
| HAI | CAI | CAM | HAM | 0.2° | 0.1° |
| CAJ | CAN | CAX | HAN | 180.0° | 179.9° |
| CAJ | CAN | CAX | CAV | 179.7° | 179.9° |
| CAJ | CAN | CAX | CAW | 0.2° | 0.3° |
| HAJ | CAJ | CAN | CAX | 179.6° | 179.9° |
| HAJ | CAJ | CAN | HAN | 0.4° | 0.1° |
| CAK | CAR | CAL | NAQ | 179.5° | 179.1° |
| CAK | CAR | CAL | HAL | 179.6° | 179.7° |
| CAK | CAR | NAQ | CAT | 12.7° | 3.7° |
| CAK | CAR | NAQ | HNAQ | 167.3° | 176.3° |
| HAK | CAK | CAR | CAL | 179.6° | 179.5° |
| HAK | CAK | CAR | NAQ | 0.1° | 0.4° |
| CAL | CAR | NAQ | CAT | 167.8° | 177.1° |
| CAL | CAR | NAQ | HNAQ | 12.1° | 2.8° |
| HAL | CAL | CAR | NAQ | 0.1° | 0.5° |
| CAM | CAW | CAX | CAN | 0.0° | 0.6° |
| CAM | CAW | CAU | CAX | 179.9° | 179.5° |
| CAM | CAW | CAU | CAY | 179.9° | 166.3° |
| CAM | CAW | CAX | CAV | 179.9° | 179.7° |
| HAM | CAM | CAW | CAU | 0.0° | 0.0° |
| HAM | CAM | CAW | CAX | 180.0° | 179.4° |
| CAN | CAX | CAW | CAU | 179.9° | 180.0° |
| CAN | CAX | CAV | CAW | 180.0° | 179.7° |
| CAN | CAX | CAV | CAZ | 180.0° | 166.3° |
| HAN | CAN | CAX | CAV | 0.2° | 0.0° |
| HAN | CAN | CAX | CAW | 179.8° | 179.7° |
| CAT | CAO | CAS | HAO | 180.0° | 178.9° |
| CAT | CAO | CAS | CAP | 0.3° | 1.1° |
| CAO | CAT | NAQ | CAR | 19.0° | 100.5° |
| CAO | CAT | NAQ | CAZ | 179.3° | 178.5° |
| CAO | CAT | NAQ | HNAQ | 160.9° | 79.4° |
| CAT | CAO | CAS | SBA | 180.0° | 180.0° |
| CAO | CAT | CAZ | CAV | 179.7° | 178.9° |
| CAO | CAT | CAZ | CAY | 0.5° | 0.6° |
| CAO | CAS | CAP | CAY | 0.2° | 0.0° |
| CAO | CAS | CAP | SBA | 179.7° | 178.9° |
| CAO | CAS | CAP | HAP | 179.8° | 180.0° |
| CAS | CAO | CAT | NAQ | 179.8° | 179.9° |
| CAS | CAO | CAT | CAZ | 0.5° | 1.4° |
| HAO | CAO | CAS | CAP | 179.7° | 180.0° |
| HAO | CAO | CAT | NAQ | 0.2° | 1.2° |
| HAO | CAO | CAS | SBA | 0.0° | 1.1° |
| HAO | CAO | CAT | CAZ | 179.5° | 179.7° |
| CAY | CAP | CAS | HAP | 180.0° | 179.9° |
| CAY | CAP | CAS | SBA | 179.9° | 178.9° |
| CAP | CAY | CAZ | CAT | 0.4° | 0.5° |
| CAP | CAY | CAU | CAW | 179.8° | 166.3° |
| CAP | CAY | CAU | CAZ | 179.8° | 179.2° |
| CAP | CAY | CAZ | CAV | 179.9° | 180.0° |
| CAS | CAP | CAY | CAU | 179.9° | 180.0° |
| CAS | CAP | CAY | CAZ | 0.2° | 0.8° |
| HAP | CAP | CAS | SBA | 0.1° | 1.2° |
| HAP | CAP | CAY | CAU | 0.1° | 0.0° |
| HAP | CAP | CAY | CAZ | 179.8° | 179.1° |
| CAR | NAQ | CAT | HNAQ | 180.0° | 179.9° |
| CAR | NAQ | CAT | CAZ | 161.7° | 80.9° |
| NAQ | CAT | CAZ | CAV | 0.4° | 0.3° |
| NAQ | CAT | CAZ | CAY | 179.8° | 179.1° |
| HNAQ | NAQ | CAT | CAZ | 18.4° | 99.1° |
| CAT | CAZ | CAY | CAU | 179.8° | 179.7° |
| CAT | CAZ | CAV | CAX | 179.8° | 166.2° |
| CAT | CAZ | CAV | CAY | 179.8° | 179.5° |
| CAU | CAW | CAX | CAV | 0.1° | 0.2° |
| CAW | CAU | CAY | CAZ | 0.1° | 12.9° |
| CAU | CAY | CAZ | CAV | 0.0° | 0.8° |
| CAY | CAU | CAW | CAX | 0.1° | 13.2° |
| CAX | CAV | CAZ | CAY | 0.0° | 14.3° |
| CAZ | CAV | CAX | CAW | 0.0° | 14.0° |
