8XZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.51Å | 1.52Å | |
| CAB | OAC | doub | 1.21Å | 1.21Å | |
| CAB | SAD | sing | 1.71Å | 1.78Å | |
| SAD | CAE | sing | 1.81Å | 1.74Å | |
| CAE | CAF | sing | 1.53Å | 1.50Å | |
| CAF | PAP | sing | 1.82Å | 1.82Å | |
| CAF | CAG | sing | 1.53Å | 1.52Å | |
| PAP | OAQ | doub | 1.48Å | 1.46Å | |
| PAP | OAR | sing | 1.61Å | 1.46Å | |
| PAP | OAS | sing | 1.61Å | 1.49Å | |
| CAG | CAH | sing | 1.53Å | 1.52Å | |
| CAH | CAI | sing | 1.53Å | 1.51Å | |
| CAI | CAJ | sing | 1.51Å | 1.52Å | |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.39Å | 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 | |
| OAR | H2 | sing | 0.97Å | 0.95Å | |
| OAS | H3 | 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 | |
| CAK | HAN | sing | 1.08Å | 1.08Å | |
| CAL | HAO | sing | 1.08Å | 1.08Å | |
| CAM | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAQ | sing | 1.08Å | 1.08Å | |
| CAO | HAR | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | OAC | 119.6° | 120.0° |
| CAA | CAB | SAD | 118.2° | 120.0° |
| CAB | CAA | HAB | 109.5° | 109.5° |
| CAB | CAA | HAC | 109.5° | 109.5° |
| CAB | CAA | HAA | 109.4° | 109.5° |
| OAC | CAB | SAD | 122.0° | 120.0° |
| CAB | SAD | CAE | 121.8° | 100.0° |
| SAD | CAE | CAF | 99.7° | 109.5° |
| SAD | CAE | HAE | 111.8° | 109.5° |
| SAD | CAE | HAF | 111.8° | 109.5° |
| CAE | CAF | PAP | 107.4° | 109.5° |
| CAE | CAF | CAG | 107.4° | 109.5° |
| CAF | CAE | HAE | 111.9° | 109.4° |
| CAF | CAE | HAF | 111.9° | 109.5° |
| CAE | CAF | HAG | 110.1° | 109.5° |
| PAP | CAF | CAG | 115.6° | 109.4° |
| CAF | PAP | OAQ | 115.8° | 109.5° |
| CAF | PAP | OAR | 114.4° | 109.5° |
| CAF | PAP | OAS | 113.2° | 109.5° |
| PAP | CAF | HAG | 106.5° | 109.4° |
| CAF | CAG | CAH | 113.1° | 109.5° |
| CAG | CAF | HAG | 109.8° | 109.4° |
| CAF | CAG | HAH | 108.6° | 109.5° |
| CAF | CAG | HAI | 108.6° | 109.5° |
| OAQ | PAP | OAR | 101.8° | 109.4° |
| OAQ | PAP | OAS | 105.5° | 109.5° |
| OAR | PAP | OAS | 104.8° | 109.5° |
| PAP | OAR | H2 | 109.5° | 113.9° |
| PAP | OAS | H3 | 109.5° | 114.0° |
| CAG | CAH | CAI | 109.0° | 109.5° |
| CAH | CAG | HAH | 108.6° | 109.5° |
| CAH | CAG | HAI | 108.6° | 109.5° |
| CAG | CAH | HAJ | 109.6° | 109.4° |
| CAG | CAH | HAK | 109.5° | 109.5° |
| CAH | CAI | CAJ | 111.2° | 109.5° |
| CAI | CAH | HAJ | 109.6° | 109.5° |
| CAI | CAH | HAK | 109.6° | 109.5° |
| CAH | CAI | HAL | 109.0° | 109.5° |
| CAH | CAI | HAM | 109.0° | 109.5° |
| CAI | CAJ | CAK | 118.7° | 120.0° |
| CAI | CAJ | CAO | 121.5° | 120.0° |
| CAJ | CAI | HAL | 109.0° | 109.4° |
| CAJ | CAI | HAM | 109.1° | 109.5° |
| CAK | CAJ | CAO | 119.7° | 120.0° |
| CAJ | CAK | CAL | 120.5° | 120.0° |
| CAJ | CAK | HAN | 119.7° | 120.0° |
| CAJ | CAO | CAN | 119.6° | 120.0° |
| CAJ | CAO | HAR | 120.2° | 120.1° |
| CAK | CAL | CAM | 119.7° | 120.0° |
| CAL | CAK | HAN | 119.7° | 120.0° |
| CAK | CAL | HAO | 120.2° | 120.0° |
| CAL | CAM | CAN | 119.9° | 120.0° |
| CAM | CAL | HAO | 120.2° | 120.0° |
| CAL | CAM | HAP | 120.1° | 120.0° |
| CAM | CAN | CAO | 120.6° | 120.0° |
| CAN | CAM | HAP | 120.1° | 120.0° |
| CAM | CAN | HAQ | 119.7° | 120.0° |
| CAO | CAN | HAQ | 119.7° | 120.0° |
| CAN | CAO | HAR | 120.2° | 120.0° |
| HAB | CAA | HAC | 109.5° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.4° |
| HAC | CAA | HAA | 109.4° | 109.4° |
| HAE | CAE | HAF | 109.5° | 109.5° |
| HAH | CAG | HAI | 109.5° | 109.4° |
| HAJ | CAH | HAK | 109.5° | 109.4° |
| HAL | CAI | HAM | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | OAC | SAD | 175.5° | 180.0° |
| CAA | CAB | SAD | CAE | 147.1° | 180.0° |
| CAB | CAA | HAB | HAC | 120.0° | 120.0° |
| CAB | CAA | HAB | HAA | 120.0° | 120.1° |
| CAB | CAA | HAC | HAA | 119.9° | 120.0° |
| OAC | CAB | SAD | CAE | 37.3° | 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 | 107.3° | 180.0° |
| SAD | CAB | CAA | HAB | 175.7° | 180.0° |
| SAD | CAB | CAA | HAC | 64.3° | 60.0° |
| SAD | CAB | CAA | HAA | 55.7° | 60.0° |
| CAB | SAD | CAE | HAE | 11.1° | 60.0° |
| CAB | SAD | CAE | HAF | 134.3° | 60.0° |
| SAD | CAE | CAF | HAE | 118.4° | 120.0° |
| SAD | CAE | CAF | HAF | 118.4° | 120.0° |
| SAD | CAE | CAF | PAP | 151.5° | 60.0° |
| SAD | CAE | CAF | CAG | 83.6° | 180.0° |
| SAD | CAE | HAE | HAF | 124.5° | 120.0° |
| SAD | CAE | CAF | HAG | 36.0° | 60.0° |
| CAE | CAF | PAP | CAG | 119.9° | 120.0° |
| CAE | CAF | PAP | HAG | 117.9° | 120.0° |
| CAE | CAF | CAG | HAG | 119.7° | 120.0° |
| CAE | CAF | PAP | OAQ | 24.3° | 65.1° |
| CAE | CAF | PAP | OAR | 142.3° | 54.8° |
| CAE | CAF | PAP | OAS | 97.8° | 174.9° |
| CAE | CAF | CAG | CAH | 99.9° | 173.9° |
| CAF | CAE | HAE | HAF | 124.6° | 120.0° |
| CAE | CAF | CAG | HAH | 20.6° | 53.9° |
| CAE | CAF | CAG | HAI | 139.5° | 66.0° |
| PAP | CAF | CAG | HAG | 120.4° | 119.9° |
| CAF | PAP | OAQ | OAR | 124.8° | 120.0° |
| CAF | PAP | OAQ | OAS | 126.0° | 120.1° |
| CAF | PAP | OAR | OAS | 124.5° | 120.1° |
| PAP | CAF | CAG | CAH | 140.2° | 66.0° |
| PAP | CAF | CAE | HAE | 90.1° | 180.0° |
| PAP | CAF | CAE | HAF | 33.1° | 60.0° |
| CAF | PAP | OAR | H2 | 125.7° | 65.2° |
| CAF | PAP | OAS | H3 | 127.7° | 180.0° |
| PAP | CAF | CAG | HAH | 99.3° | 173.9° |
| PAP | CAF | CAG | HAI | 19.7° | 54.0° |
| CAG | CAF | PAP | OAQ | 95.6° | 54.9° |
| CAG | CAF | PAP | OAR | 22.4° | 174.9° |
| CAG | CAF | PAP | OAS | 142.3° | 65.1° |
| CAF | CAG | CAH | HAH | 120.5° | 120.0° |
| CAF | CAG | CAH | HAI | 120.5° | 120.0° |
| CAF | CAG | CAH | CAI | 162.1° | 174.6° |
| CAG | CAF | CAE | HAE | 34.8° | 60.0° |
| CAG | CAF | CAE | HAF | 158.1° | 60.0° |
| CAF | CAG | HAH | HAI | 118.4° | 120.0° |
| CAF | CAG | CAH | HAJ | 77.9° | 65.4° |
| CAF | CAG | CAH | HAK | 42.2° | 54.5° |
| OAQ | PAP | OAR | OAS | 109.8° | 120.0° |
| OAQ | PAP | CAF | HAG | 142.1° | 174.9° |
| OAQ | PAP | OAR | H2 | 0.0° | 174.9° |
| OAQ | PAP | OAS | H3 | 0.0° | 60.0° |
| OAR | PAP | CAF | HAG | 99.9° | 65.2° |
| OAR | PAP | OAS | H3 | 107.0° | 60.0° |
| OAS | PAP | CAF | HAG | 20.1° | 54.8° |
| OAS | PAP | OAR | H2 | 109.7° | 54.9° |
| CAG | CAH | CAI | HAJ | 119.9° | 120.0° |
| CAG | CAH | CAI | HAK | 119.9° | 120.0° |
| CAG | CAH | CAI | CAJ | 178.9° | 180.0° |
| CAH | CAG | CAF | HAG | 19.8° | 53.9° |
| CAH | CAG | HAH | HAI | 118.4° | 120.0° |
| CAG | CAH | HAJ | HAK | 120.2° | 119.9° |
| CAG | CAH | CAI | HAL | 60.9° | 60.0° |
| CAG | CAH | CAI | HAM | 58.6° | 60.0° |
| CAH | CAI | CAJ | HAL | 120.3° | 120.0° |
| CAH | CAI | CAJ | HAM | 120.3° | 120.0° |
| CAH | CAI | CAJ | CAK | 140.2° | 90.0° |
| CAH | CAI | CAJ | CAO | 39.3° | 90.3° |
| CAI | CAH | CAG | HAH | 41.6° | 54.6° |
| CAI | CAH | CAG | HAI | 77.3° | 65.4° |
| CAI | CAH | HAJ | HAK | 120.2° | 120.0° |
| CAH | CAI | HAL | HAM | 119.2° | 120.0° |
| CAI | CAJ | CAK | CAO | 179.5° | 179.7° |
| CAI | CAJ | CAK | CAL | 179.7° | 180.0° |
| CAI | CAJ | CAO | CAN | 179.8° | 179.8° |
| CAJ | CAI | CAH | HAJ | 58.9° | 60.0° |
| CAJ | CAI | CAH | HAK | 61.2° | 60.0° |
| CAJ | CAI | HAL | HAM | 119.2° | 119.9° |
| CAI | CAJ | CAK | HAN | 0.3° | 0.0° |
| CAI | CAJ | CAO | HAR | 0.2° | 0.0° |
| CAJ | CAK | CAL | HAN | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 0.3° | 0.0° |
| CAK | CAJ | CAO | CAN | 0.3° | 0.5° |
| CAK | CAJ | CAI | HAL | 19.9° | 30.0° |
| CAK | CAJ | CAI | HAM | 99.5° | 150.0° |
| CAJ | CAK | CAL | HAO | 179.7° | 179.9° |
| CAK | CAJ | CAO | HAR | 179.7° | 179.7° |
| CAO | CAJ | CAK | CAL | 0.2° | 0.3° |
| CAJ | CAO | CAN | CAM | 0.4° | 0.4° |
| CAJ | CAO | CAN | HAR | 180.0° | 179.8° |
| CAO | CAJ | CAI | HAL | 159.6° | 149.7° |
| CAO | CAJ | CAI | HAM | 81.0° | 29.8° |
| CAO | CAJ | CAK | HAN | 179.8° | 179.7° |
| CAJ | CAO | CAN | HAQ | 179.6° | 179.7° |
| CAK | CAL | CAM | HAO | 180.0° | 180.0° |
| CAK | CAL | CAM | CAN | 0.3° | 0.0° |
| CAK | CAL | CAM | HAP | 179.6° | 180.0° |
| CAL | CAM | CAN | HAP | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 0.4° | 0.2° |
| CAM | CAL | CAK | HAN | 179.7° | 180.0° |
| CAL | CAM | CAN | HAQ | 179.6° | 179.9° |
| CAM | CAN | CAO | HAQ | 180.0° | 179.9° |
| CAN | CAM | CAL | HAO | 179.6° | 180.0° |
| CAM | CAN | CAO | HAR | 179.6° | 179.7° |
| CAO | CAN | CAM | HAP | 179.6° | 179.8° |
| HAB | CAA | HAC | HAA | 120.0° | 119.9° |
| HAE | CAE | CAF | HAG | 154.4° | 60.0° |
| HAF | CAE | CAF | HAG | 82.4° | NaN° |
| HAG | CAF | CAG | HAH | 140.3° | 66.1° |
| HAG | CAF | CAG | HAI | 100.8° | 173.9° |
| HAH | CAG | CAH | HAJ | 161.5° | 174.6° |
| HAH | CAG | CAH | HAK | 78.4° | 65.5° |
| HAI | CAG | CAH | HAJ | 42.6° | 54.6° |
| HAI | CAG | CAH | HAK | 162.7° | 174.6° |
| HAJ | CAH | CAI | HAL | 179.2° | 180.0° |
| HAJ | CAH | CAI | HAM | 61.4° | 60.0° |
| HAK | CAH | CAI | HAL | 59.0° | 60.0° |
| HAK | CAH | CAI | HAM | 178.5° | 180.0° |
| HAN | CAK | CAL | HAO | 0.3° | 0.0° |
| HAO | CAL | CAM | HAP | 0.4° | 0.0° |
| HAP | CAM | CAN | HAQ | 0.4° | 0.0° |
| HAQ | CAN | CAO | HAR | 0.4° | 0.1° |
