DQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAV | sing | 1.51Å | 1.52Å | |
| CAV | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CBA | sing | 1.51Å | 1.55Å | |
| CBA | CAX | sing | 1.51Å | 1.54Å | |
| CBA | CAT | sing | 1.53Å | 1.53Å | |
| CBA | CAW | sing | 1.51Å | 1.53Å | |
| CAX | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| CAW | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAN | 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 | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAV | CAR | 119.4° | 120.0° |
| CAA | CAV | CAL | 119.4° | 120.0° |
| CAV | CAA | HAA1 | 109.5° | 109.5° |
| CAV | CAA | HAA2 | 109.5° | 109.4° |
| CAV | CAA | HAA3 | 109.5° | 109.4° |
| CAR | CAV | CAL | 121.2° | 120.0° |
| CAV | CAR | CAY | 119.9° | 119.9° |
| CAV | CAR | HAR | 120.1° | 120.0° |
| CAV | CAL | CAK | 119.2° | 120.0° |
| CAV | CAL | HAL | 120.4° | 120.0° |
| CAR | CAY | CAQ | 118.9° | 120.0° |
| CAR | CAY | CBA | 121.7° | 120.0° |
| CAY | CAR | HAR | 120.0° | 120.0° |
| CAL | CAK | CAQ | 119.7° | 120.0° |
| CAK | CAL | HAL | 120.4° | 120.0° |
| CAL | CAK | HAK | 120.1° | 120.0° |
| CAK | CAQ | CAY | 121.0° | 120.0° |
| CAQ | CAK | HAK | 120.1° | 120.0° |
| CAK | CAQ | HAQ | 119.5° | 120.0° |
| CAQ | CAY | CBA | 119.3° | 120.0° |
| CAY | CAQ | HAQ | 119.5° | 120.0° |
| CAY | CBA | CAX | 118.0° | 109.5° |
| CAY | CBA | CAT | 106.4° | 109.5° |
| CAY | CBA | CAW | 111.3° | 109.5° |
| CAX | CBA | CAT | 109.8° | 109.4° |
| CAX | CBA | CAW | 102.7° | 109.5° |
| CBA | CAX | CAO | 119.2° | 120.0° |
| CBA | CAX | CAP | 121.5° | 120.0° |
| CAT | CBA | CAW | 108.5° | 109.5° |
| CBA | CAT | CB | 110.8° | 109.5° |
| CBA | CAT | HAT1 | 109.1° | 109.5° |
| CBA | CAT | HAT2 | 109.1° | 109.5° |
| CBA | CAW | CAM | 119.7° | 120.0° |
| CBA | CAW | CAN | 119.8° | 120.0° |
| CAO | CAX | CAP | 119.1° | 120.0° |
| CAX | CAO | CAI | 121.2° | 120.0° |
| CAX | CAO | HAO | 119.4° | 120.0° |
| CAX | CAP | CAJ | 119.9° | 120.0° |
| CAX | CAP | HAP | 120.0° | 120.0° |
| CAO | CAI | CAF | 119.4° | 120.0° |
| CAI | CAO | HAO | 119.4° | 119.9° |
| CAO | CAI | HAI | 120.3° | 120.1° |
| CAI | CAF | CAJ | 119.6° | 120.0° |
| CAF | CAI | HAI | 120.3° | 120.0° |
| CAI | CAF | HAF | 120.2° | 120.0° |
| CAF | CAJ | CAP | 120.7° | 120.0° |
| CAJ | CAF | HAF | 120.2° | 120.0° |
| CAF | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAP | HAP | 120.1° | 120.0° |
| CAP | CAJ | HAJ | 119.6° | 120.0° |
| CAT | CB | CA | 111.0° | 109.5° |
| CB | CAT | HAT1 | 109.1° | 109.5° |
| CB | CAT | HAT2 | 109.1° | 109.4° |
| CAT | CB | HB1C | 109.1° | 109.5° |
| CAT | CB | HB2C | 109.1° | 109.4° |
| CB | CA | C | 109.0° | 109.4° |
| CB | CA | N | 106.1° | 109.5° |
| CA | CB | HB1C | 109.1° | 109.5° |
| CA | CB | HB2C | 109.1° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| C | CA | N | 113.5° | 109.4° |
| CA | C | OXT | 118.2° | 120.0° |
| CA | C | O | 116.6° | 120.0° |
| C | CA | HA | 108.8° | 109.5° |
| N | CA | HA | 110.0° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.1° |
| OXT | C | O | 125.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CAM | CAW | CAN | 120.5° | 120.0° |
| CAW | CAM | CAG | 120.3° | 120.0° |
| CAW | CAM | HAM | 119.9° | 120.0° |
| CAW | CAN | CAH | 119.1° | 120.0° |
| CAW | CAN | HAN | 120.5° | 120.0° |
| CAM | CAG | CAE | 119.3° | 120.0° |
| CAG | CAM | HAM | 119.8° | 120.0° |
| CAM | CAG | HAG | 120.4° | 120.0° |
| CAG | CAE | CAH | 120.4° | 120.0° |
| CAE | CAG | HAG | 120.4° | 120.0° |
| CAG | CAE | HAE | 119.7° | 120.0° |
| CAE | CAH | CAN | 120.4° | 120.0° |
| CAH | CAE | HAE | 119.8° | 120.0° |
| CAE | CAH | HAH | 119.8° | 120.0° |
| CAH | CAN | HAN | 120.5° | 120.0° |
| CAN | CAH | HAH | 119.8° | 120.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAT1 | CAT | HAT2 | 109.5° | 109.5° |
| HB1C | CB | HB2C | 109.5° | 109.5° |
| HN1 | N | HN2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAV | CAR | CAL | 179.6° | 179.8° |
| CAA | CAV | CAR | CAY | 179.4° | 180.0° |
| CAA | CAV | CAL | CAK | 180.0° | 179.9° |
| CAV | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAV | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAV | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CAA | CAV | CAR | HAR | 0.6° | 0.0° |
| CAA | CAV | CAL | HAL | 0.0° | 0.0° |
| CAV | CAR | CAY | HAR | 180.0° | 180.0° |
| CAR | CAV | CAL | CAK | 0.4° | 0.3° |
| CAV | CAR | CAY | CAQ | 2.1° | 0.0° |
| CAV | CAR | CAY | CBA | 179.0° | 179.9° |
| CAR | CAV | CAA | HAA1 | 90.2° | 90.0° |
| CAR | CAV | CAA | HAA2 | 149.8° | 150.0° |
| CAR | CAV | CAA | HAA3 | 29.8° | 30.0° |
| CAR | CAV | CAL | HAL | 179.6° | 179.7° |
| CAL | CAV | CAR | CAY | 1.0° | 0.3° |
| CAV | CAL | CAK | HAL | 180.0° | 180.0° |
| CAV | CAL | CAK | CAQ | 1.0° | 0.1° |
| CAL | CAV | CAA | HAA1 | 90.2° | 90.3° |
| CAL | CAV | CAA | HAA2 | 29.8° | 29.8° |
| CAL | CAV | CAA | HAA3 | 149.8° | 149.7° |
| CAL | CAV | CAR | HAR | 179.0° | 179.8° |
| CAV | CAL | CAK | HAK | 179.1° | 179.9° |
| CAR | CAY | CAQ | CAK | 2.7° | 0.3° |
| CAR | CAY | CAQ | CBA | 177.0° | 179.9° |
| CAR | CAY | CBA | CAX | 35.1° | 53.1° |
| CAR | CAY | CBA | CAT | 88.7° | 173.0° |
| CAR | CAY | CBA | CAW | 153.3° | 67.0° |
| CAR | CAY | CAQ | HAQ | 177.2° | 180.0° |
| CAL | CAK | CAQ | HAK | 180.0° | 179.9° |
| CAL | CAK | CAQ | CAY | 2.2° | 0.2° |
| CAL | CAK | CAQ | HAQ | 177.8° | 180.0° |
| CAK | CAQ | CAY | HAQ | 180.0° | 179.7° |
| CAK | CAQ | CAY | CBA | 179.7° | 179.8° |
| CAQ | CAK | CAL | HAL | 179.0° | 180.0° |
| CAQ | CAY | CBA | CAX | 148.0° | 127.0° |
| CAQ | CAY | CBA | CAT | 88.2° | 7.0° |
| CAQ | CAY | CBA | CAW | 29.8° | 113.0° |
| CAQ | CAY | CAR | HAR | 177.9° | 179.9° |
| CAY | CAQ | CAK | HAK | 177.9° | 179.6° |
| CAY | CBA | CAX | CAT | 122.1° | 120.0° |
| CAY | CBA | CAX | CAW | 122.7° | 120.1° |
| CAY | CBA | CAT | CAW | 119.8° | 120.0° |
| CAY | CBA | CAX | CAO | 150.6° | 110.1° |
| CAY | CBA | CAX | CAP | 33.7° | 69.5° |
| CAY | CBA | CAT | CB | 48.3° | 175.6° |
| CAY | CBA | CAW | CAM | 54.4° | 7.1° |
| CAY | CBA | CAW | CAN | 127.3° | 172.6° |
| CBA | CAY | CAR | HAR | 1.0° | 0.0° |
| CBA | CAY | CAQ | HAQ | 0.3° | 0.1° |
| CAY | CBA | CAT | HAT1 | 71.9° | 55.5° |
| CAY | CBA | CAT | HAT2 | 168.5° | 64.5° |
| CAX | CBA | CAT | CAW | 111.4° | 120.0° |
| CBA | CAX | CAO | CAP | 175.8° | 179.7° |
| CBA | CAX | CAO | CAI | 178.2° | 180.0° |
| CBA | CAX | CAP | CAJ | 178.5° | 179.8° |
| CAX | CBA | CAT | CB | 80.5° | 55.6° |
| CAX | CBA | CAW | CAM | 72.7° | 127.1° |
| CAX | CBA | CAW | CAN | 105.5° | 52.6° |
| CAX | CBA | CAT | HAT1 | 159.3° | 64.5° |
| CAX | CBA | CAT | HAT2 | 39.7° | 175.6° |
| CBA | CAX | CAO | HAO | 1.8° | 0.1° |
| CBA | CAX | CAP | HAP | 1.5° | 0.1° |
| CAT | CBA | CAX | CAO | 28.5° | 129.9° |
| CAT | CBA | CAX | CAP | 155.8° | 50.4° |
| CBA | CAT | CB | HAT1 | 120.2° | 120.0° |
| CBA | CAT | CB | HAT2 | 120.2° | 120.0° |
| CBA | CAT | CB | CA | 174.3° | 174.0° |
| CAT | CBA | CAW | CAM | 171.1° | 113.0° |
| CAT | CBA | CAW | CAN | 10.6° | 67.3° |
| CBA | CAT | HAT1 | HAT2 | 119.4° | 120.0° |
| CBA | CAT | CB | HB1C | 54.1° | 66.0° |
| CBA | CAT | CB | HB2C | 65.5° | 54.0° |
| CAW | CBA | CAX | CAO | 86.7° | 9.9° |
| CAW | CBA | CAX | CAP | 89.0° | 170.4° |
| CAW | CBA | CAT | CB | 168.1° | 64.4° |
| CBA | CAW | CAM | CAN | 178.3° | 179.7° |
| CBA | CAW | CAM | CAG | 179.1° | 180.0° |
| CBA | CAW | CAN | CAH | 179.7° | 179.8° |
| CAW | CBA | CAT | HAT1 | 47.9° | 175.6° |
| CAW | CBA | CAT | HAT2 | 71.8° | 55.6° |
| CBA | CAW | CAM | HAM | 0.9° | 0.0° |
| CBA | CAW | CAN | HAN | 0.3° | 0.0° |
| CAX | CAO | CAI | HAO | 180.0° | 180.0° |
| CAX | CAO | CAI | CAF | 1.1° | 0.0° |
| CAO | CAX | CAP | CAJ | 2.8° | 0.5° |
| CAO | CAX | CAP | HAP | 177.2° | 179.7° |
| CAX | CAO | CAI | HAI | 179.0° | 179.9° |
| CAP | CAX | CAO | CAI | 2.4° | 0.3° |
| CAX | CAP | CAJ | CAF | 1.9° | 0.5° |
| CAX | CAP | CAJ | HAP | 180.0° | 179.8° |
| CAP | CAX | CAO | HAO | 177.5° | 179.8° |
| CAX | CAP | CAJ | HAJ | 178.1° | 179.7° |
| CAO | CAI | CAF | HAI | 180.0° | 179.9° |
| CAO | CAI | CAF | CAJ | 0.1° | 0.0° |
| CAO | CAI | CAF | HAF | 179.9° | 180.0° |
| CAI | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAI | CAF | CAJ | CAP | 0.5° | 0.2° |
| CAF | CAI | CAO | HAO | 178.9° | 180.0° |
| CAI | CAF | CAJ | HAJ | 179.4° | 180.0° |
| CAF | CAJ | CAP | HAJ | 180.0° | 179.8° |
| CAF | CAJ | CAP | HAP | 178.1° | 179.8° |
| CAJ | CAF | CAI | HAI | 179.9° | 180.0° |
| CAP | CAJ | CAF | HAF | 179.5° | 179.8° |
| CAT | CB | CA | HB1C | 120.2° | 120.0° |
| CAT | CB | CA | HB2C | 120.2° | 119.9° |
| CAT | CB | CA | C | 172.1° | 175.0° |
| CAT | CB | CA | N | 65.3° | 65.0° |
| CB | CAT | HAT1 | HAT2 | 119.4° | 120.0° |
| CAT | CB | HB1C | HB2C | 119.3° | 119.9° |
| CAT | CB | CA | HA | 53.3° | 55.0° |
| CB | CA | C | N | 118.0° | 120.0° |
| CB | CA | C | HA | 119.2° | 120.0° |
| CB | CA | N | HA | 118.1° | 120.0° |
| CB | CA | C | OXT | 74.7° | 80.0° |
| CB | CA | C | O | 103.0° | 100.0° |
| CA | CB | CAT | HAT1 | 65.5° | 54.0° |
| CA | CB | CAT | HAT2 | 54.1° | 66.0° |
| CA | CB | HB1C | HB2C | 119.3° | 120.1° |
| CB | CA | N | HN1 | 180.0° | 176.1° |
| CB | CA | N | HN2 | 60.0° | 59.9° |
| C | CA | N | HA | 122.2° | 120.0° |
| CA | C | OXT | O | 177.4° | 179.9° |
| C | CA | CB | HB1C | 51.9° | 55.0° |
| C | CA | CB | HB2C | 67.7° | 65.0° |
| C | CA | N | HN1 | 60.3° | 64.0° |
| C | CA | N | HN2 | 59.7° | 60.0° |
| CA | C | OXT | HXT | 177.4° | 180.0° |
| N | CA | C | OXT | 167.3° | 160.0° |
| N | CA | C | O | 15.0° | 20.0° |
| N | CA | CB | HB1C | 174.5° | 175.0° |
| N | CA | CB | HB2C | 54.9° | 54.9° |
| CA | N | HN1 | HN2 | 120.0° | 124.0° |
| OXT | C | CA | HA | 44.5° | 40.0° |
| O | C | CA | HA | 137.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CAW | CAM | CAG | HAM | 180.0° | 180.0° |
| CAW | CAM | CAG | CAE | 1.8° | 0.0° |
| CAM | CAW | CAN | CAH | 2.1° | 0.5° |
| CAM | CAW | CAN | HAN | 177.9° | 179.7° |
| CAW | CAM | CAG | HAG | 178.2° | 180.0° |
| CAN | CAW | CAM | CAG | 2.7° | 0.3° |
| CAW | CAN | CAH | CAE | 0.7° | 0.4° |
| CAW | CAN | CAH | HAN | 180.0° | 179.7° |
| CAN | CAW | CAM | HAM | 177.3° | 179.7° |
| CAW | CAN | CAH | HAH | 179.3° | 179.7° |
| CAM | CAG | CAE | HAG | 180.0° | 180.0° |
| CAM | CAG | CAE | CAH | 0.4° | 0.1° |
| CAM | CAG | CAE | HAE | 179.6° | 180.0° |
| CAG | CAE | CAH | HAE | 180.0° | 180.0° |
| CAG | CAE | CAH | CAN | 0.1° | 0.2° |
| CAE | CAG | CAM | HAM | 178.2° | 180.0° |
| CAG | CAE | CAH | HAH | 179.9° | 180.0° |
| CAE | CAH | CAN | HAH | 180.0° | 179.8° |
| CAE | CAH | CAN | HAN | 179.3° | 179.8° |
| CAH | CAE | CAG | HAG | 179.6° | 180.0° |
| CAN | CAH | CAE | HAE | 179.9° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAL | CAL | CAK | HAK | 1.0° | 0.1° |
| HAK | CAK | CAQ | HAQ | 2.2° | 0.1° |
| HAT1 | CAT | CB | HB1C | 174.3° | 174.0° |
| HAT1 | CAT | CB | HB2C | 54.7° | 66.0° |
| HAT2 | CAT | CB | HB1C | 66.1° | 54.0° |
| HAT2 | CAT | CB | HB2C | 174.4° | 174.0° |
| HAO | CAO | CAI | HAI | 1.1° | 0.1° |
| HAP | CAP | CAJ | HAJ | 1.9° | 0.1° |
| HAI | CAI | CAF | HAF | 0.1° | 0.0° |
| HAF | CAF | CAJ | HAJ | 0.6° | 0.0° |
| HB1C | CB | CA | HA | 67.0° | 65.0° |
| HB2C | CB | CA | HA | 173.5° | 175.0° |
| HA | CA | N | HN1 | 61.8° | 56.1° |
| HA | CA | N | HN2 | 178.1° | 180.0° |
| HAM | CAM | CAG | HAG | 1.8° | 0.0° |
| HAN | CAN | CAH | HAH | 0.7° | 0.0° |
| HAG | CAG | CAE | HAE | 0.4° | 0.0° |
| HAE | CAE | CAH | HAH | 0.1° | 0.0° |
