6QT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAS | CAH | doub | 1.21Å | 1.23Å | |
| CAH | CAI | sing | 1.52Å | 1.40Å | |
| CAH | CAE | sing | 1.47Å | 1.39Å | |
| CAI | CAJ | sing | 1.54Å | 1.53Å | |
| CAD | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| OAG | CAF | sing | 1.35Å | 1.36Å | |
| OAG | CAJ | sing | 1.43Å | 1.44Å | |
| OAQ | CAC | sing | 1.36Å | 1.36Å | |
| CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| OAR | CAO | sing | 1.36Å | 1.36Å | |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAM | sing | 1.51Å | 1.40Å | |
| CAO | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| OAQ | H4 | sing | 0.97Å | 0.95Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| OAR | H9 | sing | 0.97Å | 0.95Å | |
| CAP | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAH | CAI | 119.8° | 121.8° |
| OAS | CAH | CAE | 119.8° | 121.7° |
| CAI | CAH | CAE | 120.4° | 116.6° |
| CAH | CAI | CAJ | 112.1° | 107.2° |
| CAH | CAI | H1 | 108.8° | 109.9° |
| CAH | CAI | H2 | 108.8° | 110.0° |
| CAH | CAE | CAD | 120.5° | 120.7° |
| CAH | CAE | CAF | 119.8° | 119.0° |
| CAI | CAJ | OAG | 109.4° | 109.3° |
| CAI | CAJ | CAM | 110.2° | 109.5° |
| CAJ | CAI | H1 | 108.8° | 109.9° |
| CAJ | CAI | H2 | 108.8° | 109.9° |
| CAI | CAJ | H7 | 108.1° | 109.5° |
| CAE | CAD | CAC | 119.8° | 119.6° |
| CAD | CAE | CAF | 119.7° | 120.2° |
| CAE | CAD | H3 | 120.1° | 120.2° |
| CAD | CAC | OAQ | 119.9° | 120.0° |
| CAD | CAC | CAB | 120.2° | 120.0° |
| CAC | CAD | H3 | 120.1° | 120.2° |
| CAE | CAF | OAG | 117.0° | 120.8° |
| CAE | CAF | CAA | 120.9° | 119.3° |
| CAF | OAG | CAJ | 111.3° | 118.7° |
| OAG | CAF | CAA | 122.1° | 119.9° |
| OAG | CAJ | CAM | 110.0° | 109.5° |
| OAG | CAJ | H7 | 109.2° | 109.5° |
| OAQ | CAC | CAB | 119.9° | 120.0° |
| CAC | OAQ | H4 | 109.5° | 114.0° |
| CAC | CAB | CAA | 120.2° | 120.7° |
| CAC | CAB | H5 | 119.9° | 119.7° |
| CAF | CAA | CAB | 119.2° | 120.2° |
| CAF | CAA | H6 | 120.4° | 119.9° |
| OAR | CAO | CAN | 120.0° | 120.1° |
| OAR | CAO | CAP | 120.0° | 120.0° |
| CAO | OAR | H9 | 109.5° | 114.1° |
| CAA | CAB | H5 | 119.9° | 119.7° |
| CAB | CAA | H6 | 120.4° | 119.9° |
| CAO | CAN | CAM | 120.2° | 120.0° |
| CAN | CAO | CAP | 120.0° | 119.9° |
| CAO | CAN | H8 | 119.9° | 120.0° |
| CAN | CAM | CAJ | 120.1° | 120.0° |
| CAN | CAM | CAL | 119.6° | 120.0° |
| CAM | CAN | H8 | 119.9° | 120.0° |
| CAJ | CAM | CAL | 120.3° | 120.0° |
| CAM | CAJ | H7 | 109.9° | 109.5° |
| CAO | CAP | CAK | 120.0° | 119.9° |
| CAO | CAP | H10 | 120.0° | 120.0° |
| CAM | CAL | CAK | 120.2° | 120.1° |
| CAM | CAL | H12 | 119.9° | 119.9° |
| CAP | CAK | CAL | 120.0° | 120.1° |
| CAK | CAP | H10 | 120.0° | 120.0° |
| CAP | CAK | H11 | 120.0° | 120.0° |
| CAL | CAK | H11 | 120.0° | 120.0° |
| CAK | CAL | H12 | 119.9° | 120.0° |
| H1 | CAI | H2 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAH | CAI | CAE | 179.9° | 180.0° |
| OAS | CAH | CAI | CAJ | 179.9° | 140.0° |
| OAS | CAH | CAE | CAD | 22.3° | 12.0° |
| OAS | CAH | CAE | CAF | 158.0° | 167.9° |
| OAS | CAH | CAI | H1 | 59.5° | 100.6° |
| OAS | CAH | CAI | H2 | 59.8° | 20.5° |
| CAH | CAI | CAJ | H1 | 120.4° | 119.4° |
| CAH | CAI | CAJ | H2 | 120.4° | 119.5° |
| CAI | CAH | CAE | CAD | 157.8° | 168.0° |
| CAI | CAH | CAE | CAF | 21.9° | 12.1° |
| CAH | CAI | CAJ | OAG | 40.4° | 58.7° |
| CAH | CAI | CAJ | CAM | 161.4° | 178.7° |
| CAH | CAI | H1 | H2 | 118.8° | 121.1° |
| CAH | CAI | CAJ | H7 | 78.4° | 61.3° |
| CAE | CAH | CAI | CAJ | 0.0° | 40.0° |
| CAH | CAE | CAD | CAF | 179.7° | 179.9° |
| CAH | CAE | CAD | CAC | 179.9° | 179.7° |
| CAH | CAE | CAF | OAG | 0.4° | 0.8° |
| CAH | CAE | CAF | CAA | 180.0° | 179.5° |
| CAE | CAH | CAI | H1 | 120.4° | 79.4° |
| CAE | CAH | CAI | H2 | 120.3° | 159.5° |
| CAH | CAE | CAD | H3 | 0.1° | 0.3° |
| CAI | CAJ | OAG | CAF | 62.8° | 52.7° |
| CAI | CAJ | OAG | CAM | 121.2° | 119.9° |
| CAI | CAJ | OAG | H7 | 118.1° | 119.9° |
| CAI | CAJ | CAM | CAN | 135.9° | 100.3° |
| CAI | CAJ | CAM | H7 | 119.0° | 120.0° |
| CAI | CAJ | CAM | CAL | 44.3° | 80.0° |
| CAJ | CAI | H1 | H2 | 118.8° | 121.1° |
| CAE | CAD | CAC | H3 | 180.0° | 180.0° |
| CAD | CAE | CAF | OAG | 179.9° | 179.3° |
| CAE | CAD | CAC | OAQ | 179.9° | 179.9° |
| CAE | CAD | CAC | CAB | 0.1° | 0.0° |
| CAD | CAE | CAF | CAA | 0.3° | 0.4° |
| CAC | CAD | CAE | CAF | 0.2° | 0.3° |
| CAD | CAC | OAQ | CAB | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 0.1° | 0.1° |
| CAD | CAC | OAQ | H4 | 180.0° | 90.0° |
| CAD | CAC | CAB | H5 | 179.9° | 179.9° |
| CAE | CAF | OAG | CAA | 179.6° | 179.7° |
| CAE | CAF | OAG | CAJ | 43.1° | 22.6° |
| CAE | CAF | CAA | CAB | 0.3° | 0.3° |
| CAF | CAE | CAD | H3 | 179.8° | 179.8° |
| CAE | CAF | CAA | H6 | 179.7° | 179.7° |
| OAG | CAF | CAA | CAB | 179.9° | 179.4° |
| CAF | OAG | CAJ | CAM | 176.0° | 172.7° |
| OAG | CAF | CAA | H6 | 0.1° | 0.6° |
| CAF | OAG | CAJ | H7 | 55.3° | 67.2° |
| CAJ | OAG | CAF | CAA | 137.3° | 157.7° |
| OAG | CAJ | CAM | CAN | 15.3° | 139.8° |
| OAG | CAJ | CAM | H7 | 120.3° | 120.1° |
| OAG | CAJ | CAM | CAL | 165.0° | 39.8° |
| OAG | CAJ | CAI | H1 | 80.0° | 60.7° |
| OAG | CAJ | CAI | H2 | 160.8° | 178.2° |
| OAQ | CAC | CAB | CAA | 180.0° | 179.8° |
| OAQ | CAC | CAD | H3 | 0.1° | 0.1° |
| OAQ | CAC | CAB | H5 | 0.0° | 0.2° |
| CAC | CAB | CAA | CAF | 0.2° | 0.1° |
| CAC | CAB | CAA | H5 | 180.0° | 180.0° |
| CAB | CAC | CAD | H3 | 179.9° | 180.0° |
| CAB | CAC | OAQ | H4 | 0.0° | 89.9° |
| CAC | CAB | CAA | H6 | 179.8° | 180.0° |
| CAF | CAA | CAB | H6 | 180.0° | 180.0° |
| CAF | CAA | CAB | H5 | 179.8° | 180.0° |
| OAR | CAO | CAN | CAP | 179.9° | 179.8° |
| OAR | CAO | CAN | CAM | 180.0° | 179.9° |
| OAR | CAO | CAP | CAK | 180.0° | 180.0° |
| OAR | CAO | CAN | H8 | 0.0° | 0.2° |
| OAR | CAO | CAP | H10 | 0.0° | 0.1° |
| CAO | CAN | CAM | H8 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAJ | 179.9° | 180.0° |
| CAO | CAN | CAM | CAL | 0.2° | 0.3° |
| CAN | CAO | CAP | CAK | 0.1° | 0.1° |
| CAN | CAO | OAR | H9 | 180.0° | 89.9° |
| CAN | CAO | CAP | H10 | 179.9° | 180.0° |
| CAN | CAM | CAJ | CAL | 179.8° | 179.7° |
| CAM | CAN | CAO | CAP | 0.1° | 0.1° |
| CAN | CAM | CAL | CAK | 0.2° | 0.5° |
| CAN | CAM | CAJ | H7 | 105.0° | 19.7° |
| CAN | CAM | CAL | H12 | 179.8° | 179.6° |
| CAJ | CAM | CAL | CAK | 179.9° | 179.8° |
| CAM | CAJ | CAI | H1 | 41.0° | 59.3° |
| CAM | CAJ | CAI | H2 | 78.2° | 61.8° |
| CAJ | CAM | CAN | H8 | 0.1° | 0.1° |
| CAJ | CAM | CAL | H12 | 0.1° | 0.1° |
| CAO | CAP | CAK | H10 | 180.0° | 179.9° |
| CAO | CAP | CAK | CAL | 0.1° | 0.4° |
| CAP | CAO | CAN | H8 | 179.9° | 180.0° |
| CAP | CAO | OAR | H9 | 0.1° | 89.9° |
| CAO | CAP | CAK | H11 | 179.9° | 180.0° |
| CAM | CAL | CAK | CAP | 0.1° | 0.5° |
| CAM | CAL | CAK | H12 | 180.0° | 179.8° |
| CAL | CAM | CAJ | H7 | 74.7° | 160.0° |
| CAL | CAM | CAN | H8 | 179.8° | 179.8° |
| CAM | CAL | CAK | H11 | 179.8° | 179.8° |
| CAP | CAK | CAL | H11 | 180.0° | 179.7° |
| CAP | CAK | CAL | H12 | 179.9° | 179.6° |
| CAL | CAK | CAP | H10 | 179.9° | 179.8° |
| H1 | CAI | CAJ | H7 | 161.2° | 179.3° |
| H2 | CAI | CAJ | H7 | 42.0° | 58.2° |
| H5 | CAB | CAA | H6 | 0.2° | 0.0° |
| H10 | CAP | CAK | H11 | 0.1° | 0.1° |
| H11 | CAK | CAL | H12 | 0.1° | 0.0° |
