QLW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAW | sing | 1.47Å | 1.47Å | |
| NAW | CAB | sing | 1.47Å | 1.49Å | |
| NAW | CAV | sing | 1.39Å | 1.35Å | |
| CAV | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAV | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | NAX | doub | 1.32Å | 1.40Å | Aromatic |
| CAL | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | NAX | sing | 1.32Å | 1.41Å | Aromatic |
| NAX | CAR | sing | 1.46Å | 1.47Å | |
| CAR | CAU | sing | 1.51Å | 1.43Å | |
| CAU | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAQ | sing | 1.51Å | 1.41Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAP | CAS | sing | 1.51Å | 1.41Å | |
| CAS | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAG | sing | 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 | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | NAW | CAB | 121.6° | 120.0° |
| CAA | NAW | CAV | 117.6° | 120.0° |
| NAW | CAA | HAA1 | 109.5° | 109.5° |
| NAW | CAA | HAA2 | 109.5° | 109.4° |
| NAW | CAA | HAA3 | 109.4° | 109.5° |
| CAB | NAW | CAV | 120.6° | 120.0° |
| NAW | CAB | HAB1 | 109.5° | 109.5° |
| NAW | CAB | HAB2 | 109.5° | 109.4° |
| NAW | CAB | HAB3 | 109.4° | 109.5° |
| NAW | CAV | CAM | 119.7° | 120.9° |
| NAW | CAV | CAL | 121.5° | 120.9° |
| CAM | CAV | CAL | 118.8° | 118.3° |
| CAV | CAM | CAO | 122.0° | 119.1° |
| CAV | CAM | HAM | 119.0° | 120.5° |
| CAV | CAL | CAN | 120.3° | 119.0° |
| CAV | CAL | HAL | 119.8° | 120.4° |
| CAM | CAO | NAX | 118.5° | 120.8° |
| CAO | CAM | HAM | 119.0° | 120.4° |
| CAM | CAO | HAO | 120.7° | 119.6° |
| CAO | NAX | CAN | 120.0° | 121.9° |
| CAO | NAX | CAR | 120.9° | 119.0° |
| NAX | CAO | HAO | 120.7° | 119.6° |
| CAL | CAN | NAX | 120.4° | 120.9° |
| CAN | CAL | HAL | 119.9° | 120.5° |
| CAL | CAN | HAN | 119.8° | 119.5° |
| CAN | NAX | CAR | 119.1° | 119.0° |
| NAX | CAN | HAN | 119.8° | 119.6° |
| NAX | CAR | CAU | 109.6° | 109.5° |
| NAX | CAR | HAR1 | 109.4° | 109.5° |
| NAX | CAR | HAR2 | 109.4° | 109.5° |
| CAR | CAU | CAK | 120.9° | 120.0° |
| CAR | CAU | CAJ | 121.1° | 120.0° |
| CAU | CAR | HAR1 | 109.5° | 109.5° |
| CAU | CAR | HAR2 | 109.4° | 109.5° |
| CAK | CAU | CAJ | 118.0° | 120.0° |
| CAU | CAK | CAI | 121.4° | 120.0° |
| CAU | CAK | HAK | 119.3° | 120.0° |
| CAU | CAJ | CAH | 121.3° | 120.0° |
| CAU | CAJ | HAJ | 119.3° | 120.0° |
| CAK | CAI | CAT | 120.1° | 120.0° |
| CAI | CAK | HAK | 119.3° | 120.0° |
| CAK | CAI | HAI | 119.9° | 119.9° |
| CAI | CAT | CAH | 118.7° | 120.0° |
| CAI | CAT | CAQ | 121.0° | 120.0° |
| CAT | CAI | HAI | 119.9° | 120.1° |
| CAJ | CAH | CAT | 120.4° | 120.0° |
| CAH | CAJ | HAJ | 119.3° | 120.0° |
| CAJ | CAH | HAH | 119.8° | 120.0° |
| CAH | CAT | CAQ | 120.2° | 120.0° |
| CAT | CAH | HAH | 119.8° | 120.0° |
| CAT | CAQ | CAP | 114.8° | 109.5° |
| CAT | CAQ | HAQ1 | 108.1° | 109.5° |
| CAT | CAQ | HAQ2 | 108.1° | 109.5° |
| CAQ | CAP | CAS | 110.2° | 109.5° |
| CAP | CAQ | HAQ1 | 108.1° | 109.4° |
| CAP | CAQ | HAQ2 | 108.1° | 109.4° |
| CAQ | CAP | HAP1 | 109.3° | 109.5° |
| CAQ | CAP | HAP2 | 109.3° | 109.5° |
| CAP | CAS | CAF | 121.2° | 120.0° |
| CAP | CAS | CAG | 119.8° | 120.0° |
| CAS | CAP | HAP1 | 109.3° | 109.4° |
| CAS | CAP | HAP2 | 109.3° | 109.5° |
| CAF | CAS | CAG | 119.0° | 120.0° |
| CAS | CAF | CAD | 120.7° | 120.0° |
| CAS | CAF | HAF | 119.7° | 119.9° |
| CAS | CAG | CAE | 120.5° | 120.0° |
| CAS | CAG | HAG | 119.8° | 120.0° |
| CAF | CAD | CAC | 119.9° | 120.0° |
| CAD | CAF | HAF | 119.6° | 120.1° |
| CAF | CAD | HAD | 120.1° | 120.0° |
| CAD | CAC | CAE | 119.6° | 120.0° |
| CAC | CAD | HAD | 120.1° | 120.0° |
| CAD | CAC | HAC | 120.2° | 120.1° |
| CAC | CAE | CAG | 120.4° | 120.0° |
| CAE | CAC | HAC | 120.2° | 119.9° |
| CAC | CAE | HAE | 119.8° | 120.0° |
| CAE | CAG | HAG | 119.8° | 120.0° |
| CAG | CAE | HAE | 119.8° | 119.9° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAR1 | CAR | HAR2 | 109.5° | 109.4° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 109.5° |
| HAP1 | CAP | HAP2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | NAW | CAB | CAV | 174.7° | 180.0° |
| CAA | NAW | CAV | CAM | 3.2° | 0.0° |
| CAA | NAW | CAV | CAL | 175.4° | 179.7° |
| NAW | CAA | HAA1 | HAA2 | 120.0° | 119.9° |
| NAW | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| NAW | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | NAW | CAB | HAB1 | 180.0° | 0.0° |
| CAA | NAW | CAB | HAB2 | 60.0° | 120.0° |
| CAA | NAW | CAB | HAB3 | 60.0° | 120.0° |
| CAB | NAW | CAV | CAM | 178.1° | 180.0° |
| CAB | NAW | CAV | CAL | 0.5° | 0.3° |
| CAB | NAW | CAA | HAA1 | 180.0° | 90.0° |
| CAB | NAW | CAA | HAA2 | 60.0° | 150.0° |
| CAB | NAW | CAA | HAA3 | 60.0° | 30.0° |
| NAW | CAB | HAB1 | HAB2 | 120.0° | 119.9° |
| NAW | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAW | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NAW | CAV | CAM | CAL | 178.6° | 179.7° |
| NAW | CAV | CAM | CAO | 179.0° | 179.9° |
| NAW | CAV | CAL | CAN | 178.5° | 180.0° |
| CAV | NAW | CAA | HAA1 | 5.2° | 90.0° |
| CAV | NAW | CAA | HAA2 | 114.8° | 30.0° |
| CAV | NAW | CAA | HAA3 | 125.2° | 150.0° |
| CAV | NAW | CAB | HAB1 | 5.3° | 179.9° |
| CAV | NAW | CAB | HAB2 | 125.3° | 60.0° |
| CAV | NAW | CAB | HAB3 | 114.7° | 60.0° |
| NAW | CAV | CAM | HAM | 1.0° | 0.1° |
| NAW | CAV | CAL | HAL | 1.5° | 0.0° |
| CAV | CAM | CAO | HAM | 180.0° | 180.0° |
| CAV | CAM | CAO | NAX | 0.5° | 0.0° |
| CAM | CAV | CAL | CAN | 0.1° | 0.3° |
| CAM | CAV | CAL | HAL | 179.9° | 179.7° |
| CAV | CAM | CAO | HAO | 179.5° | 180.0° |
| CAL | CAV | CAM | CAO | 0.3° | 0.3° |
| CAV | CAL | CAN | HAL | 180.0° | 180.0° |
| CAV | CAL | CAN | NAX | 0.3° | 0.0° |
| CAL | CAV | CAM | HAM | 179.6° | 179.7° |
| CAV | CAL | CAN | HAN | 179.7° | 180.0° |
| CAM | CAO | NAX | HAO | 180.0° | 179.9° |
| CAM | CAO | NAX | CAN | 0.3° | 0.3° |
| CAM | CAO | NAX | CAR | 178.7° | 180.0° |
| CAO | NAX | CAN | CAL | 0.1° | 0.3° |
| CAO | NAX | CAN | CAR | 179.1° | 179.7° |
| CAO | NAX | CAR | CAU | 119.3° | 90.0° |
| NAX | CAO | CAM | HAM | 179.4° | 180.0° |
| CAO | NAX | CAN | HAN | 179.9° | 179.7° |
| CAO | NAX | CAR | HAR1 | 0.7° | 150.0° |
| CAO | NAX | CAR | HAR2 | 120.7° | 30.1° |
| CAL | CAN | NAX | HAN | 180.0° | 180.0° |
| CAL | CAN | NAX | CAR | 179.2° | 180.0° |
| CAN | NAX | CAR | CAU | 59.8° | 89.7° |
| NAX | CAN | CAL | HAL | 179.7° | 180.0° |
| CAN | NAX | CAO | HAO | 179.7° | 179.7° |
| CAN | NAX | CAR | HAR1 | 179.8° | 30.3° |
| CAN | NAX | CAR | HAR2 | 60.3° | 150.2° |
| NAX | CAR | CAU | HAR1 | 120.0° | 120.0° |
| NAX | CAR | CAU | HAR2 | 120.0° | 120.0° |
| NAX | CAR | CAU | CAK | 70.3° | 90.0° |
| NAX | CAR | CAU | CAJ | 109.7° | 90.2° |
| CAR | NAX | CAO | HAO | 1.3° | 0.1° |
| CAR | NAX | CAN | HAN | 0.8° | 0.0° |
| NAX | CAR | HAR1 | HAR2 | 119.9° | 120.0° |
| CAR | CAU | CAK | CAJ | 180.0° | 179.8° |
| CAR | CAU | CAK | CAI | 179.4° | 180.0° |
| CAR | CAU | CAJ | CAH | 180.0° | 180.0° |
| CAU | CAR | HAR1 | HAR2 | 120.0° | 120.0° |
| CAR | CAU | CAK | HAK | 0.6° | 0.0° |
| CAR | CAU | CAJ | HAJ | 0.0° | 0.1° |
| CAU | CAK | CAI | HAK | 180.0° | 180.0° |
| CAU | CAK | CAI | CAT | 1.5° | 0.0° |
| CAK | CAU | CAJ | CAH | 0.0° | 0.2° |
| CAK | CAU | CAR | HAR1 | 49.7° | 30.1° |
| CAK | CAU | CAR | HAR2 | 169.7° | 150.0° |
| CAK | CAU | CAJ | HAJ | 180.0° | 179.7° |
| CAU | CAK | CAI | HAI | 178.5° | 180.0° |
| CAJ | CAU | CAK | CAI | 0.6° | 0.2° |
| CAU | CAJ | CAH | HAJ | 180.0° | 179.9° |
| CAU | CAJ | CAH | CAT | 0.3° | 0.0° |
| CAJ | CAU | CAR | HAR1 | 130.3° | 149.8° |
| CAJ | CAU | CAR | HAR2 | 10.4° | 29.8° |
| CAJ | CAU | CAK | HAK | 179.4° | 179.8° |
| CAU | CAJ | CAH | HAH | 179.7° | 180.0° |
| CAK | CAI | CAT | HAI | 180.0° | 180.0° |
| CAK | CAI | CAT | CAH | 1.8° | 0.2° |
| CAK | CAI | CAT | CAQ | 179.0° | 180.0° |
| CAI | CAT | CAH | CAJ | 1.2° | 0.2° |
| CAI | CAT | CAH | CAQ | 177.3° | 179.8° |
| CAI | CAT | CAQ | CAP | 87.6° | 90.0° |
| CAT | CAI | CAK | HAK | 178.5° | 180.0° |
| CAI | CAT | CAH | HAH | 178.8° | 179.7° |
| CAI | CAT | CAQ | HAQ1 | 33.2° | 150.0° |
| CAI | CAT | CAQ | HAQ2 | 151.6° | 30.0° |
| CAJ | CAH | CAT | HAH | 180.0° | 180.0° |
| CAJ | CAH | CAT | CAQ | 178.5° | 180.0° |
| CAH | CAT | CAQ | CAP | 95.2° | 89.8° |
| CAT | CAH | CAJ | HAJ | 179.7° | 179.9° |
| CAH | CAT | CAI | HAI | 178.3° | 179.8° |
| CAH | CAT | CAQ | HAQ1 | 144.0° | 30.2° |
| CAH | CAT | CAQ | HAQ2 | 25.6° | 150.2° |
| CAT | CAQ | CAP | HAQ1 | 120.8° | 120.0° |
| CAT | CAQ | CAP | HAQ2 | 120.8° | 120.0° |
| CAT | CAQ | CAP | CAS | 176.4° | 180.0° |
| CAQ | CAT | CAI | HAI | 1.0° | 0.0° |
| CAQ | CAT | CAH | HAH | 1.6° | 0.1° |
| CAT | CAQ | HAQ1 | HAQ2 | 117.5° | 120.0° |
| CAT | CAQ | CAP | HAP1 | 56.3° | 60.0° |
| CAT | CAQ | CAP | HAP2 | 63.5° | 60.0° |
| CAQ | CAP | CAS | HAP1 | 120.1° | 120.0° |
| CAQ | CAP | CAS | HAP2 | 120.1° | 120.0° |
| CAQ | CAP | CAS | CAF | 58.1° | 90.0° |
| CAQ | CAP | CAS | CAG | 122.4° | 90.3° |
| CAP | CAQ | HAQ1 | HAQ2 | 117.5° | 119.9° |
| CAQ | CAP | HAP1 | HAP2 | 119.7° | 120.0° |
| CAP | CAS | CAF | CAG | 179.6° | 179.8° |
| CAP | CAS | CAF | CAD | 180.0° | 180.0° |
| CAP | CAS | CAG | CAE | 179.8° | 179.7° |
| CAS | CAP | CAQ | HAQ1 | 62.8° | 60.0° |
| CAS | CAP | CAQ | HAQ2 | 55.6° | 60.0° |
| CAS | CAP | HAP1 | HAP2 | 119.6° | 120.0° |
| CAP | CAS | CAF | HAF | 0.0° | 0.0° |
| CAP | CAS | CAG | HAG | 0.2° | 0.0° |
| CAS | CAF | CAD | HAF | 180.0° | 180.0° |
| CAS | CAF | CAD | CAC | 0.3° | 0.0° |
| CAF | CAS | CAG | CAE | 0.3° | 0.5° |
| CAF | CAS | CAP | HAP1 | 178.2° | 30.1° |
| CAF | CAS | CAP | HAP2 | 62.0° | 150.0° |
| CAF | CAS | CAG | HAG | 179.8° | 179.8° |
| CAS | CAF | CAD | HAD | 179.7° | 180.0° |
| CAG | CAS | CAF | CAD | 0.4° | 0.3° |
| CAS | CAG | CAE | CAC | 0.1° | 0.5° |
| CAS | CAG | CAE | HAG | 180.0° | 179.7° |
| CAG | CAS | CAP | HAP1 | 2.3° | 149.7° |
| CAG | CAS | CAP | HAP2 | 117.5° | 29.7° |
| CAG | CAS | CAF | HAF | 179.6° | 179.7° |
| CAS | CAG | CAE | HAE | 179.9° | 179.7° |
| CAF | CAD | CAC | HAD | 180.0° | 180.0° |
| CAF | CAD | CAC | CAE | 0.1° | 0.0° |
| CAF | CAD | CAC | HAC | 179.9° | 180.0° |
| CAD | CAC | CAE | HAC | 180.0° | 180.0° |
| CAD | CAC | CAE | CAG | 0.2° | 0.2° |
| CAC | CAD | CAF | HAF | 179.8° | 180.0° |
| CAD | CAC | CAE | HAE | 179.8° | 180.0° |
| CAC | CAE | CAG | HAE | 180.0° | 179.8° |
| CAC | CAE | CAG | HAG | 179.9° | 179.8° |
| CAE | CAC | CAD | HAD | 179.9° | 180.0° |
| CAG | CAE | CAC | HAC | 179.8° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| HAM | CAM | CAO | HAO | 0.6° | 0.0° |
| HAL | CAL | CAN | HAN | 0.3° | 0.0° |
| HAK | CAK | CAI | HAI | 1.5° | 0.0° |
| HAJ | CAJ | CAH | HAH | 0.3° | 0.0° |
| HAQ1 | CAQ | CAP | HAP1 | 177.1° | 180.0° |
| HAQ1 | CAQ | CAP | HAP2 | 57.3° | 60.0° |
| HAQ2 | CAQ | CAP | HAP1 | 64.5° | 60.0° |
| HAQ2 | CAQ | CAP | HAP2 | 175.7° | 180.0° |
| HAF | CAF | CAD | HAD | 0.2° | 0.0° |
| HAG | CAG | CAE | HAE | 0.1° | 0.0° |
| HAD | CAD | CAC | HAC | 0.1° | 0.0° |
| HAC | CAC | CAE | HAE | 0.2° | 0.0° |
