DQ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAU | sing | 1.51Å | 1.53Å | |
| CAU | OAC | doub | 1.21Å | 1.23Å | |
| CAU | CAV | sing | 1.47Å | 1.52Å | |
| CAV | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAY | sing | 1.38Å | 1.38Å | Aromatic |
| CAY | CAZ | sing | 1.51Å | 1.52Å | |
| CAZ | CAX | sing | 1.51Å | 1.52Å | |
| CAZ | SAT | sing | 1.81Å | 1.84Å | |
| CAZ | CAW | sing | 1.51Å | 1.50Å | |
| CAX | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| SAT | CAS | sing | 1.81Å | 1.85Å | |
| CAS | CAR | sing | 1.53Å | 1.55Å | |
| CAR | NAB | sing | 1.47Å | 1.47Å | |
| CAW | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| NAB | HAB1 | sing | 1.01Å | 1.00Å | |
| NAB | HAB2 | sing | 1.01Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | HAD | 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) |
| CAA | CAU | OAC | 121.4° | 120.0° |
| CAA | CAU | CAV | 115.8° | 120.0° |
| CAU | CAA | HAA1 | 109.5° | 109.5° |
| CAU | CAA | HAA2 | 109.5° | 109.5° |
| CAU | CAA | HAA3 | 109.5° | 109.5° |
| OAC | CAU | CAV | 122.0° | 120.0° |
| CAU | CAV | CAQ | 123.2° | 120.2° |
| CAU | CAV | CAK | 115.3° | 120.2° |
| CAQ | CAV | CAK | 121.4° | 119.6° |
| CAV | CAQ | CAY | 118.7° | 119.9° |
| CAV | CAQ | HAQ | 120.6° | 120.0° |
| CAV | CAK | CAJ | 119.1° | 119.9° |
| CAV | CAK | HAK | 120.5° | 120.1° |
| CAQ | CAY | CAP | 119.8° | 120.2° |
| CAQ | CAY | CAZ | 124.4° | 119.9° |
| CAY | CAQ | HAQ | 120.6° | 120.1° |
| CAK | CAJ | CAP | 120.1° | 120.2° |
| CAJ | CAK | HAK | 120.5° | 120.0° |
| CAK | CAJ | HAJ | 119.9° | 119.9° |
| CAJ | CAP | CAY | 120.8° | 120.3° |
| CAP | CAJ | HAJ | 120.0° | 119.9° |
| CAJ | CAP | HAP | 119.6° | 119.8° |
| CAP | CAY | CAZ | 115.7° | 119.9° |
| CAY | CAP | HAP | 119.6° | 119.8° |
| CAY | CAZ | CAX | 117.2° | 109.5° |
| CAY | CAZ | SAT | 106.6° | 109.5° |
| CAY | CAZ | CAW | 112.0° | 109.5° |
| CAX | CAZ | SAT | 107.1° | 109.5° |
| CAX | CAZ | CAW | 109.5° | 109.5° |
| CAZ | CAX | CAN | 121.3° | 120.0° |
| CAZ | CAX | CAO | 118.4° | 120.0° |
| SAT | CAZ | CAW | 103.3° | 109.4° |
| CAZ | SAT | CAS | 104.5° | 103.0° |
| CAZ | CAW | CAL | 122.3° | 120.0° |
| CAZ | CAW | CAM | 117.9° | 120.0° |
| CAN | CAX | CAO | 120.2° | 120.0° |
| CAX | CAN | CAH | 120.1° | 119.9° |
| CAX | CAN | HAN | 119.9° | 120.0° |
| CAX | CAO | CAI | 120.3° | 120.0° |
| CAX | CAO | HAO | 119.9° | 120.0° |
| CAN | CAH | CAE | 119.6° | 120.1° |
| CAH | CAN | HAN | 119.9° | 120.0° |
| CAN | CAH | HAH | 120.2° | 119.9° |
| CAH | CAE | CAI | 120.2° | 120.0° |
| CAE | CAH | HAH | 120.2° | 120.0° |
| CAH | CAE | HAE | 119.9° | 120.0° |
| CAE | CAI | CAO | 119.5° | 120.0° |
| CAI | CAE | HAE | 119.9° | 120.0° |
| CAE | CAI | HAI | 120.2° | 120.0° |
| CAI | CAO | HAO | 119.8° | 120.0° |
| CAO | CAI | HAI | 120.3° | 120.0° |
| SAT | CAS | CAR | 118.1° | 109.5° |
| SAT | CAS | HAS1 | 107.3° | 109.5° |
| SAT | CAS | HAS2 | 107.3° | 109.5° |
| CAS | CAR | NAB | 111.9° | 109.5° |
| CAR | CAS | HAS1 | 107.3° | 109.4° |
| CAR | CAS | HAS2 | 107.3° | 109.5° |
| CAS | CAR | HAR1 | 108.8° | 109.5° |
| CAS | CAR | HAR2 | 108.8° | 109.4° |
| NAB | CAR | HAR1 | 108.8° | 109.5° |
| NAB | CAR | HAR2 | 108.9° | 109.5° |
| CAR | NAB | HAB1 | 109.5° | 111.0° |
| CAR | NAB | HAB2 | 109.4° | 111.0° |
| CAL | CAW | CAM | 119.8° | 120.0° |
| CAW | CAL | CAF | 120.2° | 120.0° |
| CAW | CAL | HAL | 119.9° | 120.0° |
| CAW | CAM | CAG | 120.2° | 120.0° |
| CAW | CAM | HAM | 119.9° | 120.0° |
| CAL | CAF | CAD | 120.1° | 120.0° |
| CAF | CAL | HAL | 119.9° | 120.0° |
| CAL | CAF | HAF | 120.0° | 120.0° |
| CAF | CAD | CAG | 119.3° | 120.0° |
| CAD | CAF | HAF | 120.0° | 120.0° |
| CAF | CAD | HAD | 120.4° | 120.0° |
| CAD | CAG | CAM | 120.5° | 120.0° |
| CAG | CAD | HAD | 120.4° | 120.0° |
| CAD | CAG | HAG | 119.7° | 120.0° |
| CAG | CAM | HAM | 119.9° | 120.0° |
| CAM | CAG | HAG | 119.7° | 120.0° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAS1 | CAS | HAS2 | 109.5° | 109.5° |
| HAR1 | CAR | HAR2 | 109.5° | 109.5° |
| HAB1 | NAB | HAB2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAU | OAC | CAV | 169.2° | 180.0° |
| CAA | CAU | CAV | CAQ | 169.3° | 179.9° |
| CAA | CAU | CAV | CAK | 6.0° | 0.3° |
| CAU | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAU | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAU | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| OAC | CAU | CAV | CAQ | 21.0° | 0.0° |
| OAC | CAU | CAV | CAK | 163.8° | 179.7° |
| OAC | CAU | CAA | HAA1 | 0.0° | 0.0° |
| OAC | CAU | CAA | HAA2 | 120.0° | 120.0° |
| OAC | CAU | CAA | HAA3 | 120.0° | 120.0° |
| CAU | CAV | CAQ | CAK | 175.0° | 179.8° |
| CAU | CAV | CAQ | CAY | 179.0° | 180.0° |
| CAU | CAV | CAK | CAJ | 179.6° | 180.0° |
| CAV | CAU | CAA | HAA1 | 169.8° | 180.0° |
| CAV | CAU | CAA | HAA2 | 49.8° | 60.0° |
| CAV | CAU | CAA | HAA3 | 70.2° | 60.0° |
| CAU | CAV | CAQ | HAQ | 1.0° | 0.1° |
| CAU | CAV | CAK | HAK | 0.4° | 0.0° |
| CAV | CAQ | CAY | HAQ | 180.0° | 179.9° |
| CAQ | CAV | CAK | CAJ | 4.3° | 0.2° |
| CAV | CAQ | CAY | CAP | 2.4° | 0.1° |
| CAV | CAQ | CAY | CAZ | 179.0° | 180.0° |
| CAQ | CAV | CAK | HAK | 175.7° | 179.7° |
| CAK | CAV | CAQ | CAY | 4.0° | 0.2° |
| CAV | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAV | CAK | CAJ | CAP | 2.9° | 0.0° |
| CAK | CAV | CAQ | HAQ | 176.0° | 179.7° |
| CAV | CAK | CAJ | HAJ | 177.1° | 180.0° |
| CAQ | CAY | CAP | CAJ | 1.1° | 0.3° |
| CAQ | CAY | CAP | CAZ | 176.9° | 180.0° |
| CAQ | CAY | CAZ | CAX | 34.3° | 121.1° |
| CAQ | CAY | CAZ | SAT | 85.6° | 1.1° |
| CAQ | CAY | CAZ | CAW | 162.0° | 118.9° |
| CAQ | CAY | CAP | HAP | 178.9° | 180.0° |
| CAK | CAJ | CAP | HAJ | 180.0° | 179.9° |
| CAK | CAJ | CAP | CAY | 1.4° | 0.3° |
| CAK | CAJ | CAP | HAP | 178.6° | 180.0° |
| CAJ | CAP | CAY | HAP | 180.0° | 179.6° |
| CAJ | CAP | CAY | CAZ | 178.0° | 179.7° |
| CAP | CAJ | CAK | HAK | 177.1° | 180.0° |
| CAP | CAY | CAZ | CAX | 149.0° | 58.9° |
| CAP | CAY | CAZ | SAT | 91.1° | 178.9° |
| CAP | CAY | CAZ | CAW | 21.2° | 61.1° |
| CAP | CAY | CAQ | HAQ | 177.6° | 180.0° |
| CAY | CAP | CAJ | HAJ | 178.7° | 179.7° |
| CAY | CAZ | CAX | SAT | 119.6° | 120.0° |
| CAY | CAZ | CAX | CAW | 129.0° | 120.0° |
| CAY | CAZ | SAT | CAW | 118.2° | 120.0° |
| CAY | CAZ | CAX | CAN | 50.5° | 91.1° |
| CAY | CAZ | CAX | CAO | 132.4° | 88.7° |
| CAY | CAZ | SAT | CAS | 64.7° | 66.3° |
| CAY | CAZ | CAW | CAL | 61.1° | 175.5° |
| CAY | CAZ | CAW | CAM | 120.1° | 4.7° |
| CAZ | CAY | CAQ | HAQ | 1.0° | 0.0° |
| CAZ | CAY | CAP | HAP | 2.0° | 0.0° |
| CAX | CAZ | SAT | CAW | 115.6° | 120.0° |
| CAZ | CAX | CAN | CAO | 177.0° | 179.8° |
| CAZ | CAX | CAN | CAH | 178.2° | 180.0° |
| CAZ | CAX | CAO | CAI | 178.9° | 179.8° |
| CAX | CAZ | SAT | CAS | 61.5° | 173.7° |
| CAX | CAZ | CAW | CAL | 70.7° | 55.5° |
| CAX | CAZ | CAW | CAM | 108.2° | 124.7° |
| CAZ | CAX | CAN | HAN | 1.8° | 0.0° |
| CAZ | CAX | CAO | HAO | 1.1° | 0.0° |
| SAT | CAZ | CAX | CAN | 170.1° | 148.9° |
| SAT | CAZ | CAX | CAO | 12.8° | 31.3° |
| CAZ | SAT | CAS | CAR | 179.1° | 174.4° |
| SAT | CAZ | CAW | CAL | 175.4° | 64.5° |
| SAT | CAZ | CAW | CAM | 5.7° | 115.3° |
| CAZ | SAT | CAS | HAS1 | 59.7° | 54.5° |
| CAZ | SAT | CAS | HAS2 | 57.9° | 65.6° |
| CAW | CAZ | CAX | CAN | 78.5° | 28.9° |
| CAW | CAZ | CAX | CAO | 98.6° | 151.3° |
| CAW | CAZ | SAT | CAS | 177.1° | 53.7° |
| CAZ | CAW | CAL | CAM | 178.8° | 179.8° |
| CAZ | CAW | CAL | CAF | 179.1° | 180.0° |
| CAZ | CAW | CAM | CAG | 179.7° | 179.8° |
| CAZ | CAW | CAL | HAL | 0.9° | 0.1° |
| CAZ | CAW | CAM | HAM | 0.3° | 0.0° |
| CAX | CAN | CAH | HAN | 180.0° | 180.0° |
| CAX | CAN | CAH | CAE | 0.4° | 0.0° |
| CAN | CAX | CAO | CAI | 1.8° | 0.5° |
| CAN | CAX | CAO | HAO | 178.2° | 179.8° |
| CAX | CAN | CAH | HAH | 179.6° | 180.0° |
| CAO | CAX | CAN | CAH | 1.1° | 0.2° |
| CAX | CAO | CAI | CAE | 0.8° | 0.4° |
| CAX | CAO | CAI | HAO | 180.0° | 179.8° |
| CAO | CAX | CAN | HAN | 178.8° | 179.7° |
| CAX | CAO | CAI | HAI | 179.2° | 179.7° |
| CAN | CAH | CAE | HAH | 180.0° | 179.9° |
| CAN | CAH | CAE | CAI | 1.3° | 0.1° |
| CAN | CAH | CAE | HAE | 178.7° | 179.9° |
| CAH | CAE | CAI | HAE | 180.0° | 180.0° |
| CAH | CAE | CAI | CAO | 0.7° | 0.1° |
| CAE | CAH | CAN | HAN | 179.6° | 180.0° |
| CAH | CAE | CAI | HAI | 179.3° | 180.0° |
| CAE | CAI | CAO | HAI | 180.0° | 179.9° |
| CAE | CAI | CAO | HAO | 179.2° | 179.8° |
| CAI | CAE | CAH | HAH | 178.7° | 180.0° |
| CAO | CAI | CAE | HAE | 179.3° | 179.8° |
| SAT | CAS | CAR | HAS1 | 121.2° | 120.0° |
| SAT | CAS | CAR | HAS2 | 121.2° | 120.0° |
| SAT | CAS | CAR | NAB | 62.2° | 180.0° |
| SAT | CAS | HAS1 | HAS2 | 116.1° | 120.0° |
| SAT | CAS | CAR | HAR1 | 58.1° | 60.0° |
| SAT | CAS | CAR | HAR2 | 177.4° | 60.0° |
| CAS | CAR | NAB | HAR1 | 120.3° | 120.0° |
| CAS | CAR | NAB | HAR2 | 120.4° | 120.0° |
| CAR | CAS | HAS1 | HAS2 | 116.1° | 120.0° |
| CAS | CAR | HAR1 | HAR2 | 118.9° | 119.9° |
| CAS | CAR | NAB | HAB1 | 180.0° | 56.0° |
| CAS | CAR | NAB | HAB2 | 60.0° | 180.0° |
| NAB | CAR | CAS | HAS1 | 176.5° | 60.0° |
| NAB | CAR | CAS | HAS2 | 59.0° | 60.0° |
| NAB | CAR | HAR1 | HAR2 | 118.9° | 120.1° |
| CAR | NAB | HAB1 | HAB2 | 120.0° | 123.9° |
| CAW | CAL | CAF | HAL | 180.0° | 180.0° |
| CAW | CAL | CAF | CAD | 0.4° | 0.0° |
| CAL | CAW | CAM | CAG | 0.8° | 0.5° |
| CAL | CAW | CAM | HAM | 179.1° | 179.8° |
| CAW | CAL | CAF | HAF | 179.6° | 180.0° |
| CAM | CAW | CAL | CAF | 0.3° | 0.2° |
| CAW | CAM | CAG | CAD | 0.7° | 0.4° |
| CAW | CAM | CAG | HAM | 180.0° | 179.7° |
| CAM | CAW | CAL | HAL | 179.7° | 179.7° |
| CAW | CAM | CAG | HAG | 179.3° | 179.7° |
| CAL | CAF | CAD | HAF | 180.0° | 180.0° |
| CAL | CAF | CAD | CAG | 0.6° | 0.0° |
| CAL | CAF | CAD | HAD | 179.4° | 179.9° |
| CAF | CAD | CAG | HAD | 180.0° | 180.0° |
| CAF | CAD | CAG | CAM | 0.0° | 0.2° |
| CAD | CAF | CAL | HAL | 179.6° | 180.0° |
| CAF | CAD | CAG | HAG | 180.0° | 180.0° |
| CAD | CAG | CAM | HAG | 180.0° | 179.8° |
| CAD | CAG | CAM | HAM | 179.3° | 179.8° |
| CAG | CAD | CAF | HAF | 179.5° | 179.9° |
| CAM | CAG | CAD | HAD | 180.0° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAK | CAK | CAJ | HAJ | 2.9° | 0.0° |
| HAJ | CAJ | CAP | HAP | 1.4° | 0.1° |
| HAN | CAN | CAH | HAH | 0.4° | 0.0° |
| HAO | CAO | CAI | HAI | 0.8° | 0.1° |
| HAH | CAH | CAE | HAE | 1.3° | 0.0° |
| HAE | CAE | CAI | HAI | 0.7° | 0.0° |
| HAS1 | CAS | CAR | HAR1 | 63.1° | 180.0° |
| HAS1 | CAS | CAR | HAR2 | 56.2° | 60.0° |
| HAS2 | CAS | CAR | HAR1 | 179.3° | 60.0° |
| HAS2 | CAS | CAR | HAR2 | 61.4° | 180.0° |
| HAR1 | CAR | NAB | HAB1 | 59.7° | 64.0° |
| HAR1 | CAR | NAB | HAB2 | 179.6° | 60.0° |
| HAR2 | CAR | NAB | HAB1 | 59.6° | 176.0° |
| HAR2 | CAR | NAB | HAB2 | 60.4° | 60.0° |
| HAL | CAL | CAF | HAF | 0.4° | 0.0° |
| HAM | CAM | CAG | HAG | 0.7° | 0.0° |
| HAF | CAF | CAD | HAD | 0.6° | 0.1° |
| HAD | CAD | CAG | HAG | 0.1° | 0.0° |
