QPF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAS | CAR | sing | 1.36Å | 1.36Å | |
| OAP | CAO | doub | 1.22Å | 1.23Å | |
| CAM | OAL | sing | 1.43Å | 1.44Å | |
| OAL | CAK | sing | 1.36Å | 1.38Å | |
| CAR | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAQ | sing | 1.48Å | 1.40Å | |
| CAO | CAN | sing | 1.47Å | 1.40Å | |
| CAQ | CAC | doub | 1.41Å | 1.40Å | Aromatic |
| CAK | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAF | sing | 1.41Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.48Å | 1.39Å | |
| CAF | CAD | sing | 1.48Å | 1.40Å | |
| CAF | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | OAE | doub | 1.21Å | 1.23Å | |
| CAH | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | OAI | sing | 1.36Å | 1.36Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAT | H3 | sing | 1.08Å | 1.08Å | |
| OAS | H4 | sing | 0.97Å | 0.95Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| OAI | H6 | sing | 0.97Å | 0.95Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAR | CAT | 120.8° | 120.1° |
| OAS | CAR | CAQ | 117.8° | 120.2° |
| CAR | OAS | H4 | 109.5° | 114.0° |
| OAP | CAO | CAQ | 119.9° | 120.4° |
| OAP | CAO | CAN | 120.2° | 120.3° |
| CAM | OAL | CAK | 121.2° | 117.0° |
| OAL | CAM | H8 | 109.5° | 109.5° |
| OAL | CAM | H9 | 109.5° | 109.5° |
| OAL | CAM | H10 | 109.5° | 109.5° |
| OAL | CAK | CAN | 115.5° | 120.1° |
| OAL | CAK | CAJ | 124.5° | 120.2° |
| CAT | CAR | CAQ | 121.4° | 119.7° |
| CAR | CAT | CAA | 119.6° | 120.4° |
| CAR | CAT | H3 | 120.2° | 119.8° |
| CAR | CAQ | CAO | 121.3° | 120.6° |
| CAR | CAQ | CAC | 118.5° | 119.7° |
| CAT | CAA | CAB | 119.8° | 120.6° |
| CAT | CAA | H2 | 120.1° | 119.7° |
| CAA | CAT | H3 | 120.2° | 119.8° |
| CAQ | CAO | CAN | 119.9° | 119.3° |
| CAO | CAQ | CAC | 120.2° | 119.7° |
| CAO | CAN | CAK | 120.8° | 120.6° |
| CAO | CAN | CAF | 119.6° | 119.7° |
| CAQ | CAC | CAB | 120.2° | 119.8° |
| CAQ | CAC | CAD | 120.1° | 119.6° |
| CAN | CAK | CAJ | 120.0° | 119.7° |
| CAK | CAN | CAF | 119.7° | 119.7° |
| CAK | CAJ | CAH | 120.2° | 120.4° |
| CAK | CAJ | H7 | 119.9° | 119.8° |
| CAN | CAF | CAD | 120.4° | 119.5° |
| CAN | CAF | CAG | 119.7° | 119.8° |
| CAA | CAB | CAC | 120.5° | 120.0° |
| CAA | CAB | H1 | 119.8° | 120.0° |
| CAB | CAA | H2 | 120.1° | 119.7° |
| CAJ | CAH | CAG | 119.9° | 120.5° |
| CAJ | CAH | OAI | 119.5° | 119.8° |
| CAH | CAJ | H7 | 119.9° | 119.8° |
| CAB | CAC | CAD | 119.6° | 120.6° |
| CAC | CAB | H1 | 119.7° | 120.1° |
| CAC | CAD | CAF | 119.8° | 119.1° |
| CAC | CAD | OAE | 119.4° | 120.5° |
| CAD | CAF | CAG | 119.9° | 120.7° |
| CAF | CAD | OAE | 120.7° | 120.4° |
| CAF | CAG | CAH | 120.6° | 119.9° |
| CAF | CAG | H5 | 119.7° | 120.0° |
| CAG | CAH | OAI | 120.6° | 119.7° |
| CAH | CAG | H5 | 119.7° | 120.1° |
| CAH | OAI | H6 | 109.5° | 114.0° |
| H8 | CAM | H9 | 109.4° | 109.5° |
| H8 | CAM | H10 | 109.4° | 109.4° |
| H9 | CAM | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAR | CAT | CAQ | 179.9° | 179.9° |
| OAS | CAR | CAT | CAA | 179.9° | 179.9° |
| OAS | CAR | CAQ | CAO | 0.1° | 0.1° |
| OAS | CAR | CAQ | CAC | 180.0° | 179.9° |
| OAS | CAR | CAT | H3 | 0.1° | 0.1° |
| OAP | CAO | CAQ | CAR | 0.0° | 13.9° |
| OAP | CAO | CAQ | CAN | 179.8° | 180.0° |
| OAP | CAO | CAQ | CAC | 180.0° | 166.2° |
| OAP | CAO | CAN | CAK | 0.2° | 13.9° |
| OAP | CAO | CAN | CAF | 180.0° | 166.4° |
| CAM | OAL | CAK | CAN | 176.5° | 179.9° |
| CAM | OAL | CAK | CAJ | 3.4° | 0.2° |
| OAL | CAM | H8 | H9 | 120.0° | 120.0° |
| OAL | CAM | H8 | H10 | 120.0° | 120.0° |
| OAL | CAM | H9 | H10 | 120.0° | 120.0° |
| OAL | CAK | CAN | CAO | 0.1° | 0.1° |
| OAL | CAK | CAN | CAJ | 179.9° | 179.7° |
| OAL | CAK | CAN | CAF | 179.9° | 179.9° |
| OAL | CAK | CAJ | CAH | 179.8° | 179.8° |
| OAL | CAK | CAJ | H7 | 0.2° | 0.1° |
| CAK | OAL | CAM | H8 | 180.0° | 60.0° |
| CAK | OAL | CAM | H9 | 60.0° | 60.0° |
| CAK | OAL | CAM | H10 | 60.0° | 180.0° |
| CAR | CAT | CAA | H3 | 180.0° | 180.0° |
| CAT | CAR | CAQ | CAO | 180.0° | 180.0° |
| CAT | CAR | CAQ | CAC | 0.1° | 0.0° |
| CAR | CAT | CAA | CAB | 0.0° | 0.0° |
| CAR | CAT | CAA | H2 | 180.0° | 180.0° |
| CAT | CAR | OAS | H4 | 179.9° | 90.0° |
| CAQ | CAR | CAT | CAA | 0.1° | 0.0° |
| CAR | CAQ | CAO | CAC | 179.9° | 180.0° |
| CAR | CAQ | CAO | CAN | 179.8° | 166.1° |
| CAR | CAQ | CAC | CAB | 0.1° | 0.0° |
| CAR | CAQ | CAC | CAD | 179.9° | 180.0° |
| CAQ | CAR | CAT | H3 | 179.9° | 180.0° |
| CAQ | CAR | OAS | H4 | 0.1° | 90.0° |
| CAT | CAA | CAB | H2 | 180.0° | 179.9° |
| CAT | CAA | CAB | CAC | 0.0° | 0.0° |
| CAT | CAA | CAB | H1 | 180.0° | 179.9° |
| CAQ | CAO | CAN | CAK | 179.9° | 166.1° |
| CAQ | CAO | CAN | CAF | 0.2° | 13.6° |
| CAO | CAQ | CAC | CAB | 180.0° | 179.9° |
| CAO | CAQ | CAC | CAD | 0.2° | 0.1° |
| CAN | CAO | CAQ | CAC | 0.3° | 13.8° |
| CAO | CAN | CAK | CAF | 179.8° | 179.8° |
| CAO | CAN | CAK | CAJ | 179.8° | 179.8° |
| CAO | CAN | CAF | CAD | 0.1° | 0.4° |
| CAO | CAN | CAF | CAG | 179.8° | 180.0° |
| CAQ | CAC | CAB | CAA | 0.0° | 0.0° |
| CAQ | CAC | CAB | CAD | 179.8° | 180.0° |
| CAQ | CAC | CAD | CAF | 0.0° | 14.1° |
| CAQ | CAC | CAD | OAE | 180.0° | 166.3° |
| CAQ | CAC | CAB | H1 | 180.0° | 180.0° |
| CAN | CAK | CAJ | CAH | 0.1° | 0.5° |
| CAK | CAN | CAF | CAD | 179.9° | 179.8° |
| CAK | CAN | CAF | CAG | 0.1° | 0.2° |
| CAN | CAK | CAJ | H7 | 179.9° | 179.8° |
| CAJ | CAK | CAN | CAF | 0.1° | 0.4° |
| CAK | CAJ | CAH | H7 | 180.0° | 179.7° |
| CAK | CAJ | CAH | CAG | 0.2° | 0.3° |
| CAK | CAJ | CAH | OAI | 179.9° | 179.8° |
| CAN | CAF | CAD | CAC | 0.0° | 14.3° |
| CAN | CAF | CAD | CAG | 179.8° | 179.6° |
| CAN | CAF | CAD | OAE | 179.9° | 166.1° |
| CAN | CAF | CAG | CAH | 0.0° | 0.0° |
| CAN | CAF | CAG | H5 | 180.0° | 180.0° |
| CAA | CAB | CAC | H1 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 179.9° | 180.0° |
| CAB | CAA | CAT | H3 | 180.0° | 180.0° |
| CAJ | CAH | CAG | CAF | 0.1° | 0.1° |
| CAJ | CAH | CAG | OAI | 179.9° | 179.9° |
| CAJ | CAH | CAG | H5 | 179.9° | 179.9° |
| CAJ | CAH | OAI | H6 | 180.0° | 90.0° |
| CAB | CAC | CAD | CAF | 179.9° | 165.9° |
| CAB | CAC | CAD | OAE | 0.2° | 13.7° |
| CAC | CAB | CAA | H2 | 180.0° | 179.9° |
| CAC | CAD | CAF | OAE | 179.9° | 179.6° |
| CAC | CAD | CAF | CAG | 179.8° | 166.1° |
| CAD | CAC | CAB | H1 | 0.2° | 0.0° |
| CAD | CAF | CAG | CAH | 179.8° | 179.6° |
| CAD | CAF | CAG | H5 | 0.2° | 0.4° |
| CAG | CAF | CAD | OAE | 0.1° | 13.5° |
| CAF | CAG | CAH | H5 | 180.0° | 180.0° |
| CAF | CAG | CAH | OAI | 180.0° | 180.0° |
| CAG | CAH | OAI | H6 | 0.1° | 90.0° |
| CAG | CAH | CAJ | H7 | 179.8° | 180.0° |
| OAI | CAH | CAG | H5 | 0.0° | 0.0° |
| OAI | CAH | CAJ | H7 | 0.1° | 0.1° |
| H1 | CAB | CAA | H2 | 0.0° | 0.0° |
| H2 | CAA | CAT | H3 | 0.0° | 0.1° |
| H8 | CAM | H9 | H10 | 120.0° | 120.0° |
