7QQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAK | sing | 1.51Å | 1.53Å | |
| CAK | OAC | doub | 1.21Å | 1.23Å | |
| CAK | NAH | sing | 1.35Å | 1.34Å | |
| NAH | CAM | sing | 1.39Å | 1.33Å | |
| CAM | SAJ | sing | 1.76Å | 1.58Å | Aromatic |
| CAM | NAG | doub | 1.29Å | 1.34Å | Aromatic |
| SAJ | CAO | sing | 1.76Å | 1.64Å | Aromatic |
| NAG | CAN | sing | 1.35Å | 1.35Å | Aromatic |
| CAN | CAF | doub | 1.41Å | 1.34Å | Aromatic |
| CAN | CAO | sing | 1.40Å | 1.35Å | Aromatic |
| CAF | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAE | doub | 1.39Å | 1.33Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAL | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | OAI | sing | 1.36Å | 1.36Å | |
| OAI | CAA | sing | 1.43Å | 1.43Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAK | OAC | 121.1° | 120.0° |
| CAB | CAK | NAH | 115.1° | 120.0° |
| CAK | CAB | HAB1 | 109.5° | 109.5° |
| CAK | CAB | HAB2 | 109.5° | 109.5° |
| CAK | CAB | HAB3 | 109.5° | 109.5° |
| OAC | CAK | NAH | 123.7° | 120.0° |
| CAK | NAH | CAM | 117.5° | 120.0° |
| CAK | NAH | HAH | 121.3° | 120.0° |
| NAH | CAM | SAJ | 124.3° | 124.9° |
| NAH | CAM | NAG | 126.5° | 124.8° |
| CAM | NAH | HAH | 121.2° | 120.0° |
| SAJ | CAM | NAG | 109.2° | 110.4° |
| CAM | SAJ | CAO | 96.8° | 90.4° |
| CAM | NAG | CAN | 113.9° | 117.9° |
| SAJ | CAO | CAN | 107.6° | 108.4° |
| SAJ | CAO | CAE | 130.3° | 131.1° |
| NAG | CAN | CAF | 128.3° | 128.7° |
| NAG | CAN | CAO | 112.5° | 112.9° |
| CAF | CAN | CAO | 119.2° | 118.4° |
| CAN | CAF | CAL | 121.2° | 120.4° |
| CAN | CAF | HAF | 119.4° | 119.8° |
| CAN | CAO | CAE | 122.1° | 120.5° |
| CAF | CAL | CAD | 118.8° | 120.5° |
| CAF | CAL | OAI | 121.4° | 119.7° |
| CAL | CAF | HAF | 119.4° | 119.9° |
| CAO | CAE | CAD | 120.5° | 120.3° |
| CAO | CAE | HAE | 119.8° | 119.8° |
| CAE | CAD | CAL | 118.3° | 119.9° |
| CAD | CAE | HAE | 119.7° | 119.9° |
| CAE | CAD | HAD | 120.9° | 120.1° |
| CAD | CAL | OAI | 119.8° | 119.8° |
| CAL | CAD | HAD | 120.9° | 120.0° |
| CAL | OAI | CAA | 111.6° | 117.0° |
| OAI | CAA | HAA1 | 109.5° | 109.5° |
| OAI | CAA | HAA2 | 109.5° | 109.5° |
| OAI | CAA | HAA3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.4° | 109.4° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.4° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAK | OAC | NAH | 179.9° | 179.9° |
| CAB | CAK | NAH | CAM | 0.0° | 180.0° |
| CAK | CAB | HAB1 | HAB2 | 120.0° | 119.9° |
| CAK | CAB | HAB1 | HAB3 | 120.0° | 120.1° |
| CAK | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| CAB | CAK | NAH | HAH | 180.0° | 0.1° |
| OAC | CAK | NAH | CAM | 179.9° | 0.1° |
| OAC | CAK | CAB | HAB1 | 0.0° | 0.1° |
| OAC | CAK | CAB | HAB2 | 120.0° | 120.0° |
| OAC | CAK | CAB | HAB3 | 120.0° | 120.0° |
| OAC | CAK | NAH | HAH | 0.1° | 180.0° |
| CAK | NAH | CAM | HAH | 180.0° | 179.9° |
| CAK | NAH | CAM | SAJ | 150.8° | 0.1° |
| CAK | NAH | CAM | NAG | 29.6° | 179.7° |
| NAH | CAK | CAB | HAB1 | 179.9° | 180.0° |
| NAH | CAK | CAB | HAB2 | 60.1° | 60.1° |
| NAH | CAK | CAB | HAB3 | 59.9° | 59.9° |
| NAH | CAM | SAJ | NAG | 179.6° | 179.7° |
| NAH | CAM | SAJ | CAO | 179.7° | 180.0° |
| NAH | CAM | NAG | CAN | 179.7° | 180.0° |
| SAJ | CAM | NAG | CAN | 0.1° | 0.3° |
| CAM | SAJ | CAO | CAN | 0.1° | 0.2° |
| CAM | SAJ | CAO | CAE | 180.0° | 180.0° |
| SAJ | CAM | NAH | HAH | 29.2° | 180.0° |
| NAG | CAM | SAJ | CAO | 0.1° | 0.3° |
| CAM | NAG | CAN | CAF | 180.0° | 180.0° |
| CAM | NAG | CAN | CAO | 0.0° | 0.1° |
| NAG | CAM | NAH | HAH | 150.4° | 0.4° |
| SAJ | CAO | CAN | NAG | 0.0° | 0.1° |
| SAJ | CAO | CAN | CAF | 180.0° | 179.8° |
| SAJ | CAO | CAN | CAE | 179.9° | 179.8° |
| SAJ | CAO | CAE | CAD | 179.9° | 180.0° |
| SAJ | CAO | CAE | HAE | 0.1° | 0.0° |
| NAG | CAN | CAF | CAO | 180.0° | 179.9° |
| NAG | CAN | CAF | CAL | 180.0° | 180.0° |
| NAG | CAN | CAO | CAE | 179.9° | 179.9° |
| NAG | CAN | CAF | HAF | 0.0° | 0.0° |
| CAN | CAF | CAL | HAF | 180.0° | 180.0° |
| CAF | CAN | CAO | CAE | 0.1° | 0.0° |
| CAN | CAF | CAL | CAD | 0.1° | 0.0° |
| CAN | CAF | CAL | OAI | 179.8° | 180.0° |
| CAO | CAN | CAF | CAL | 0.0° | 0.1° |
| CAN | CAO | CAE | CAD | 0.1° | 0.2° |
| CAO | CAN | CAF | HAF | 180.0° | 179.9° |
| CAN | CAO | CAE | HAE | 179.9° | 179.8° |
| CAF | CAL | CAD | CAE | 0.1° | 0.3° |
| CAF | CAL | CAD | OAI | 179.7° | 180.0° |
| CAF | CAL | OAI | CAA | 42.7° | 180.0° |
| CAF | CAL | CAD | HAD | 179.8° | 179.9° |
| CAO | CAE | CAD | HAE | 180.0° | 180.0° |
| CAO | CAE | CAD | CAL | 0.1° | 0.4° |
| CAO | CAE | CAD | HAD | 179.9° | 180.0° |
| CAE | CAD | CAL | HAD | 180.0° | 179.6° |
| CAE | CAD | CAL | OAI | 179.8° | 179.8° |
| CAD | CAL | OAI | CAA | 137.7° | 0.1° |
| CAD | CAL | CAF | HAF | 179.9° | 180.0° |
| CAL | CAD | CAE | HAE | 179.9° | 179.6° |
| OAI | CAL | CAF | HAF | 0.2° | 0.0° |
| OAI | CAL | CAD | HAD | 0.2° | 0.2° |
| CAL | OAI | CAA | HAA1 | 180.0° | 60.0° |
| CAL | OAI | CAA | HAA2 | 60.0° | 180.0° |
| CAL | OAI | CAA | HAA3 | 60.0° | 60.0° |
| OAI | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAI | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAI | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAE | CAE | CAD | HAD | 0.1° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
