8XW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.51Å | 1.47Å | |
| CAB | OAC | doub | 1.21Å | 1.24Å | |
| CAB | SAD | sing | 1.71Å | 1.81Å | |
| SAD | CAE | sing | 1.81Å | 1.79Å | |
| CAE | CAF | sing | 1.53Å | 1.50Å | |
| CAF | PAQ | sing | 1.82Å | 1.83Å | |
| CAF | CAG | sing | 1.53Å | 1.52Å | |
| PAQ | OAS | doub | 1.48Å | 1.60Å | |
| PAQ | OAT | sing | 1.61Å | 1.62Å | |
| PAQ | OAR | sing | 1.61Å | 1.48Å | |
| CAG | CAH | sing | 1.53Å | 1.52Å | |
| CAH | CAI | sing | 1.53Å | 1.51Å | |
| CAI | CAJ | sing | 1.53Å | 1.55Å | |
| CAJ | CAK | sing | 1.51Å | 1.38Å | |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAG | sing | 1.09Å | 1.10Å | |
| OAT | H1 | sing | 0.97Å | 0.95Å | |
| OAR | H2 | sing | 0.97Å | 0.95Å | |
| CAG | HAH | sing | 1.09Å | 1.10Å | |
| CAG | HAI | sing | 1.09Å | 1.10Å | |
| CAH | HAJ | sing | 1.09Å | 1.10Å | |
| CAH | HAK | sing | 1.09Å | 1.10Å | |
| CAI | HAL | sing | 1.09Å | 1.10Å | |
| CAI | HAM | sing | 1.09Å | 1.10Å | |
| CAJ | HAN | sing | 1.09Å | 1.10Å | |
| CAJ | HAO | sing | 1.09Å | 1.10Å | |
| CAL | HAP | sing | 1.08Å | 1.08Å | |
| CAM | HAQ | sing | 1.08Å | 1.08Å | |
| CAN | HAR | sing | 1.08Å | 1.08Å | |
| CAO | HAS | sing | 1.08Å | 1.08Å | |
| CAP | HAT | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | OAC | 121.2° | 120.0° |
| CAA | CAB | SAD | 110.4° | 120.0° |
| CAB | CAA | HAB | 109.5° | 109.5° |
| CAB | CAA | HAC | 109.5° | 109.5° |
| CAB | CAA | HAA | 109.5° | 109.5° |
| OAC | CAB | SAD | 128.3° | 120.0° |
| CAB | SAD | CAE | 111.8° | 100.0° |
| SAD | CAE | CAF | 111.6° | 109.4° |
| SAD | CAE | HAE | 108.9° | 109.5° |
| SAD | CAE | HAF | 108.9° | 109.5° |
| CAE | CAF | PAQ | 104.5° | 109.5° |
| CAE | CAF | CAG | 109.6° | 109.4° |
| CAF | CAE | HAE | 109.0° | 109.4° |
| CAF | CAE | HAF | 108.9° | 109.5° |
| CAE | CAF | HAG | 111.1° | 109.5° |
| PAQ | CAF | CAG | 114.0° | 109.5° |
| CAF | PAQ | OAS | 106.3° | 109.4° |
| CAF | PAQ | OAT | 102.7° | 109.5° |
| CAF | PAQ | OAR | 113.8° | 109.5° |
| PAQ | CAF | HAG | 107.0° | 109.5° |
| CAF | CAG | CAH | 107.8° | 109.5° |
| CAG | CAF | HAG | 110.6° | 109.4° |
| CAF | CAG | HAH | 109.9° | 109.5° |
| CAF | CAG | HAI | 109.9° | 109.5° |
| OAS | PAQ | OAT | 105.2° | 109.4° |
| OAS | PAQ | OAR | 114.9° | 109.5° |
| OAT | PAQ | OAR | 112.8° | 109.5° |
| PAQ | OAT | H1 | 109.5° | 114.0° |
| PAQ | OAR | H2 | 109.5° | 114.0° |
| CAG | CAH | CAI | 116.5° | 109.5° |
| CAH | CAG | HAH | 109.9° | 109.5° |
| CAH | CAG | HAI | 109.9° | 109.4° |
| CAG | CAH | HAJ | 107.7° | 109.5° |
| CAG | CAH | HAK | 107.7° | 109.4° |
| CAH | CAI | CAJ | 104.1° | 109.5° |
| CAI | CAH | HAJ | 107.7° | 109.5° |
| CAI | CAH | HAK | 107.7° | 109.4° |
| CAH | CAI | HAL | 110.8° | 109.5° |
| CAH | CAI | HAM | 110.8° | 109.4° |
| CAI | CAJ | CAK | 114.3° | 109.5° |
| CAJ | CAI | HAL | 110.8° | 109.5° |
| CAJ | CAI | HAM | 110.8° | 109.5° |
| CAI | CAJ | HAN | 108.3° | 109.4° |
| CAI | CAJ | HAO | 108.2° | 109.5° |
| CAJ | CAK | CAL | 118.1° | 120.0° |
| CAJ | CAK | CAP | 121.3° | 119.9° |
| CAK | CAJ | HAN | 108.2° | 109.4° |
| CAK | CAJ | HAO | 108.2° | 109.5° |
| CAL | CAK | CAP | 120.7° | 120.0° |
| CAK | CAL | CAM | 119.5° | 120.0° |
| CAK | CAL | HAP | 120.2° | 120.0° |
| CAK | CAP | CAO | 120.0° | 120.0° |
| CAK | CAP | HAT | 120.0° | 120.0° |
| CAL | CAM | CAN | 119.3° | 120.0° |
| CAM | CAL | HAP | 120.3° | 120.0° |
| CAL | CAM | HAQ | 120.4° | 120.0° |
| CAM | CAN | CAO | 121.3° | 120.0° |
| CAN | CAM | HAQ | 120.3° | 120.0° |
| CAM | CAN | HAR | 119.3° | 120.0° |
| CAN | CAO | CAP | 119.2° | 120.0° |
| CAO | CAN | HAR | 119.3° | 120.0° |
| CAN | CAO | HAS | 120.4° | 120.0° |
| CAP | CAO | HAS | 120.4° | 120.0° |
| CAO | CAP | HAT | 120.0° | 120.1° |
| HAB | CAA | HAC | 109.4° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.5° |
| HAC | CAA | HAA | 109.5° | 109.4° |
| HAE | CAE | HAF | 109.4° | 109.5° |
| HAH | CAG | HAI | 109.5° | 109.4° |
| HAJ | CAH | HAK | 109.5° | 109.5° |
| HAL | CAI | HAM | 109.5° | 109.5° |
| HAN | CAJ | HAO | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | OAC | SAD | 178.3° | 180.0° |
| CAA | CAB | SAD | CAE | 38.5° | 180.0° |
| CAB | CAA | HAB | HAC | 120.0° | 120.0° |
| CAB | CAA | HAB | HAA | 120.0° | 120.0° |
| CAB | CAA | HAC | HAA | 120.0° | 120.0° |
| OAC | CAB | SAD | CAE | 143.1° | 0.0° |
| OAC | CAB | CAA | HAB | 0.0° | 0.0° |
| OAC | CAB | CAA | HAC | 120.0° | 120.0° |
| OAC | CAB | CAA | HAA | 120.0° | 120.0° |
| CAB | SAD | CAE | CAF | 112.5° | 180.0° |
| SAD | CAB | CAA | HAB | 178.5° | 180.0° |
| SAD | CAB | CAA | HAC | 58.6° | 60.0° |
| SAD | CAB | CAA | HAA | 61.5° | 60.0° |
| CAB | SAD | CAE | HAE | 7.8° | 60.0° |
| CAB | SAD | CAE | HAF | 127.2° | 60.0° |
| SAD | CAE | CAF | HAE | 120.3° | 120.0° |
| SAD | CAE | CAF | HAF | 120.3° | 120.0° |
| SAD | CAE | CAF | PAQ | 144.3° | 66.3° |
| SAD | CAE | CAF | CAG | 93.2° | 173.8° |
| SAD | CAE | HAE | HAF | 119.0° | 120.1° |
| SAD | CAE | CAF | HAG | 29.2° | 53.8° |
| CAE | CAF | PAQ | CAG | 119.6° | 119.9° |
| CAE | CAF | PAQ | HAG | 117.9° | 120.1° |
| CAE | CAF | CAG | HAG | 122.7° | 120.0° |
| CAE | CAF | PAQ | OAS | 170.0° | 54.7° |
| CAE | CAF | PAQ | OAT | 79.8° | 174.6° |
| CAE | CAF | PAQ | OAR | 42.5° | 65.3° |
| CAE | CAF | CAG | CAH | 57.0° | 176.1° |
| CAF | CAE | HAE | HAF | 119.0° | 120.0° |
| CAE | CAF | CAG | HAH | 62.8° | 56.0° |
| CAE | CAF | CAG | HAI | 176.7° | 64.0° |
| PAQ | CAF | CAG | HAG | 120.6° | 120.0° |
| CAF | PAQ | OAS | OAT | 108.5° | 120.0° |
| CAF | PAQ | OAS | OAR | 126.8° | 120.0° |
| CAF | PAQ | OAT | OAR | 122.9° | 120.0° |
| PAQ | CAF | CAG | CAH | 173.6° | 64.0° |
| PAQ | CAF | CAE | HAE | 95.4° | 173.8° |
| PAQ | CAF | CAE | HAF | 24.0° | 53.8° |
| CAF | PAQ | OAT | H1 | 111.1° | 180.0° |
| CAF | PAQ | OAR | H2 | 122.9° | 65.9° |
| PAQ | CAF | CAG | HAH | 53.9° | 176.0° |
| PAQ | CAF | CAG | HAI | 66.6° | 56.0° |
| CAG | CAF | PAQ | OAS | 50.4° | 174.6° |
| CAG | CAF | PAQ | OAT | 160.7° | 65.4° |
| CAG | CAF | PAQ | OAR | 77.1° | 54.6° |
| CAF | CAG | CAH | HAH | 119.7° | 120.1° |
| CAF | CAG | CAH | HAI | 119.7° | 120.0° |
| CAF | CAG | CAH | CAI | 174.1° | 174.6° |
| CAG | CAF | CAE | HAE | 27.1° | 53.8° |
| CAG | CAF | CAE | HAF | 146.5° | 66.2° |
| CAF | CAG | HAH | HAI | 120.7° | 120.0° |
| CAF | CAG | CAH | HAJ | 53.1° | 65.3° |
| CAF | CAG | CAH | HAK | 64.9° | 54.6° |
| OAS | PAQ | OAT | OAR | 126.0° | 120.0° |
| OAS | PAQ | CAF | HAG | 72.2° | 65.4° |
| OAS | PAQ | OAT | H1 | 0.0° | 60.0° |
| OAS | PAQ | OAR | H2 | 0.0° | 174.1° |
| OAT | PAQ | CAF | HAG | 38.1° | 54.5° |
| OAT | PAQ | OAR | H2 | 120.6° | 54.1° |
| OAR | PAQ | CAF | HAG | 160.4° | 174.6° |
| OAR | PAQ | OAT | H1 | 126.0° | 60.0° |
| CAG | CAH | CAI | HAJ | 121.0° | 120.1° |
| CAG | CAH | CAI | HAK | 121.0° | 119.9° |
| CAG | CAH | CAI | CAJ | 157.3° | 179.9° |
| CAH | CAG | CAF | HAG | 65.8° | 56.0° |
| CAH | CAG | HAH | HAI | 120.8° | 119.9° |
| CAG | CAH | HAJ | HAK | 116.8° | 120.0° |
| CAG | CAH | CAI | HAL | 83.6° | 59.9° |
| CAG | CAH | CAI | HAM | 38.2° | 60.1° |
| CAH | CAI | CAJ | HAL | 119.1° | 120.0° |
| CAH | CAI | CAJ | HAM | 119.1° | 120.0° |
| CAH | CAI | CAJ | CAK | 154.6° | 179.9° |
| CAI | CAH | CAG | HAH | 66.1° | 54.5° |
| CAI | CAH | CAG | HAI | 54.4° | 65.4° |
| CAI | CAH | HAJ | HAK | 116.8° | 120.0° |
| CAH | CAI | HAL | HAM | 122.5° | 119.9° |
| CAH | CAI | CAJ | HAN | 84.7° | 60.0° |
| CAH | CAI | CAJ | HAO | 33.9° | 60.0° |
| CAI | CAJ | CAK | HAN | 120.7° | 119.9° |
| CAI | CAJ | CAK | HAO | 120.7° | 120.1° |
| CAI | CAJ | CAK | CAL | 141.6° | 90.0° |
| CAI | CAJ | CAK | CAP | 40.1° | 90.3° |
| CAJ | CAI | CAH | HAJ | 36.3° | 60.0° |
| CAJ | CAI | CAH | HAK | 81.7° | 60.0° |
| CAJ | CAI | HAL | HAM | 122.5° | 120.0° |
| CAI | CAJ | HAN | HAO | 117.8° | 120.0° |
| CAJ | CAK | CAL | CAP | 178.3° | 179.7° |
| CAJ | CAK | CAL | CAM | 179.7° | 180.0° |
| CAJ | CAK | CAP | CAO | 179.9° | 179.8° |
| CAK | CAJ | CAI | HAL | 35.5° | 60.1° |
| CAK | CAJ | CAI | HAM | 86.2° | 60.0° |
| CAK | CAJ | HAN | HAO | 117.8° | 120.0° |
| CAJ | CAK | CAL | HAP | 0.3° | 0.1° |
| CAJ | CAK | CAP | HAT | 0.1° | 0.0° |
| CAK | CAL | CAM | HAP | 180.0° | 179.9° |
| CAK | CAL | CAM | CAN | 1.1° | 0.1° |
| CAL | CAK | CAP | CAO | 1.8° | 0.5° |
| CAL | CAK | CAJ | HAN | 20.9° | 30.0° |
| CAL | CAK | CAJ | HAO | 97.7° | 150.0° |
| CAK | CAL | CAM | HAQ | 178.9° | 180.0° |
| CAL | CAK | CAP | HAT | 178.2° | 179.7° |
| CAP | CAK | CAL | CAM | 2.0° | 0.3° |
| CAK | CAP | CAO | CAN | 0.7° | 0.5° |
| CAK | CAP | CAO | HAT | 180.0° | 179.8° |
| CAP | CAK | CAJ | HAN | 160.8° | 149.8° |
| CAP | CAK | CAJ | HAO | 80.6° | 29.8° |
| CAP | CAK | CAL | HAP | 178.0° | 179.8° |
| CAK | CAP | CAO | HAS | 179.3° | 179.8° |
| CAL | CAM | CAN | HAQ | 180.0° | 179.9° |
| CAL | CAM | CAN | CAO | 0.0° | 0.1° |
| CAL | CAM | CAN | HAR | 180.0° | 180.0° |
| CAM | CAN | CAO | HAR | 180.0° | 179.9° |
| CAM | CAN | CAO | CAP | 0.2° | 0.3° |
| CAN | CAM | CAL | HAP | 178.9° | 180.0° |
| CAM | CAN | CAO | HAS | 179.8° | 180.0° |
| CAN | CAO | CAP | HAS | 180.0° | 179.7° |
| CAO | CAN | CAM | HAQ | 180.0° | 180.0° |
| CAN | CAO | CAP | HAT | 179.3° | 179.7° |
| CAP | CAO | CAN | HAR | 179.8° | 179.8° |
| HAB | CAA | HAC | HAA | 120.0° | 120.0° |
| HAE | CAE | CAF | HAG | 149.6° | 66.1° |
| HAF | CAE | CAF | HAG | 91.1° | 173.9° |
| HAG | CAF | CAG | HAH | 174.5° | 64.0° |
| HAG | CAF | CAG | HAI | 54.0° | 176.0° |
| HAH | CAG | CAH | HAJ | 172.8° | 174.6° |
| HAH | CAG | CAH | HAK | 54.9° | 65.4° |
| HAI | CAG | CAH | HAJ | 66.6° | 54.6° |
| HAI | CAG | CAH | HAK | 175.4° | 174.6° |
| HAJ | CAH | CAI | HAL | 155.4° | 180.0° |
| HAJ | CAH | CAI | HAM | 82.9° | 60.0° |
| HAK | CAH | CAI | HAL | 37.5° | 60.0° |
| HAK | CAH | CAI | HAM | 159.2° | NaN° |
| HAL | CAI | CAJ | HAN | 156.2° | 180.0° |
| HAL | CAI | CAJ | HAO | 85.2° | 60.0° |
| HAM | CAI | CAJ | HAN | 34.5° | 60.0° |
| HAM | CAI | CAJ | HAO | 153.1° | 180.0° |
| HAP | CAL | CAM | HAQ | 1.1° | 0.1° |
| HAQ | CAM | CAN | HAR | 0.0° | 0.1° |
| HAR | CAN | CAO | HAS | 0.2° | 0.1° |
| HAS | CAO | CAP | HAT | 0.7° | 0.0° |
