P08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAL | sing | 1.53Å | 1.54Å | |
| CAN | NBA | sing | 1.47Å | 1.49Å | |
| CAL | OAQ | sing | 1.43Å | 1.44Å | |
| OAQ | CAM | sing | 1.43Å | 1.45Å | |
| CAM | CAO | sing | 1.53Å | 1.54Å | |
| CAO | NBA | sing | 1.47Å | 1.47Å | |
| NBA | CAU | sing | 1.37Å | 1.35Å | |
| CAU | CAJ | doub | 1.36Å | 1.40Å | |
| CAU | OAR | sing | 1.34Å | 1.38Å | |
| CAJ | CAW | sing | 1.41Å | 1.39Å | |
| CAW | OAC | doub | 1.22Å | 1.24Å | |
| CAW | CAX | sing | 1.48Å | 1.40Å | |
| OAR | CAY | sing | 1.35Å | 1.39Å | |
| CAY | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CAY | CAV | doub | 1.39Å | 1.42Å | Aromatic |
| CAX | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAA | sing | 1.51Å | 1.39Å | |
| CAS | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAZ | sing | 1.51Å | 1.41Å | |
| CAZ | CAB | sing | 1.53Å | 1.53Å | |
| CAZ | NAP | sing | 1.46Å | 1.43Å | |
| NAP | CAT | sing | 1.40Å | 1.29Å | |
| CAT | CAG | sing | 1.39Å | 1.38Å | Aromatic |
| CAT | CAH | doub | 1.39Å | 1.38Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | 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 | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAN | NBA | 111.8° | 108.4° |
| CAN | CAL | OAQ | 110.0° | 109.2° |
| CAL | CAN | HAN1 | 108.9° | 109.7° |
| CAL | CAN | HAN2 | 108.9° | 109.7° |
| CAN | CAL | HAL1 | 109.3° | 109.5° |
| CAN | CAL | HAL2 | 109.3° | 109.5° |
| CAN | NBA | CAO | 108.5° | 118.1° |
| CAN | NBA | CAU | 116.8° | 121.0° |
| NBA | CAN | HAN1 | 108.8° | 109.7° |
| NBA | CAN | HAN2 | 108.8° | 109.7° |
| CAL | OAQ | CAM | 111.8° | 114.1° |
| OAQ | CAL | HAL1 | 109.3° | 109.5° |
| OAQ | CAL | HAL2 | 109.3° | 109.5° |
| OAQ | CAM | CAO | 111.0° | 109.3° |
| OAQ | CAM | HAM1 | 109.1° | 109.5° |
| OAQ | CAM | HAM2 | 109.1° | 109.5° |
| CAM | CAO | NBA | 110.1° | 108.4° |
| CAO | CAM | HAM1 | 109.1° | 109.5° |
| CAO | CAM | HAM2 | 109.1° | 109.5° |
| CAM | CAO | HAO1 | 109.3° | 109.7° |
| CAM | CAO | HAO2 | 109.3° | 109.7° |
| CAO | NBA | CAU | 112.9° | 121.0° |
| NBA | CAO | HAO1 | 109.3° | 109.7° |
| NBA | CAO | HAO2 | 109.3° | 109.7° |
| NBA | CAU | CAJ | 122.0° | 118.7° |
| NBA | CAU | OAR | 117.7° | 118.7° |
| CAJ | CAU | OAR | 120.3° | 122.6° |
| CAU | CAJ | CAW | 120.7° | 119.6° |
| CAU | CAJ | HAJ | 119.6° | 120.2° |
| CAU | OAR | CAY | 120.5° | 122.3° |
| CAJ | CAW | OAC | 119.5° | 121.3° |
| CAJ | CAW | CAX | 118.1° | 117.4° |
| CAW | CAJ | HAJ | 119.6° | 120.2° |
| OAC | CAW | CAX | 122.3° | 121.3° |
| CAW | CAX | CAY | 121.7° | 118.5° |
| CAW | CAX | CAK | 119.5° | 121.3° |
| OAR | CAY | CAX | 118.7° | 119.7° |
| OAR | CAY | CAV | 120.8° | 120.9° |
| CAX | CAY | CAV | 120.6° | 119.4° |
| CAY | CAX | CAK | 118.7° | 120.2° |
| CAY | CAV | CAI | 118.4° | 119.9° |
| CAY | CAV | CAZ | 127.1° | 120.1° |
| CAX | CAK | CAS | 121.0° | 119.6° |
| CAX | CAK | HAK | 119.5° | 120.2° |
| CAK | CAS | CAA | 120.2° | 119.8° |
| CAK | CAS | CAI | 120.1° | 120.3° |
| CAS | CAK | HAK | 119.5° | 120.3° |
| CAA | CAS | CAI | 119.6° | 119.8° |
| CAS | CAA | HAA1 | 109.5° | 109.5° |
| CAS | CAA | HAA2 | 109.5° | 109.5° |
| CAS | CAA | HAA3 | 109.5° | 109.5° |
| CAS | CAI | CAV | 121.2° | 120.7° |
| CAS | CAI | HAI | 119.4° | 119.7° |
| CAI | CAV | CAZ | 114.5° | 120.0° |
| CAV | CAI | HAI | 119.4° | 119.7° |
| CAV | CAZ | CAB | 110.8° | 109.5° |
| CAV | CAZ | NAP | 112.9° | 109.5° |
| CAV | CAZ | HAZ | 109.5° | 109.4° |
| CAB | CAZ | NAP | 106.2° | 109.5° |
| CAB | CAZ | HAZ | 108.0° | 109.5° |
| CAZ | CAB | HAB1 | 109.5° | 109.4° |
| CAZ | CAB | HAB2 | 109.5° | 109.5° |
| CAZ | CAB | HAB3 | 109.5° | 109.5° |
| CAZ | NAP | CAT | 120.8° | 120.0° |
| NAP | CAZ | HAZ | 109.3° | 109.4° |
| CAZ | NAP | HAP | 106.6° | 120.0° |
| NAP | CAT | CAG | 119.2° | 120.1° |
| NAP | CAT | CAH | 118.8° | 120.1° |
| CAT | NAP | HAP | 106.6° | 120.0° |
| CAG | CAT | CAH | 122.0° | 119.8° |
| CAT | CAG | CAE | 119.1° | 120.0° |
| CAT | CAG | HAG | 120.5° | 120.0° |
| CAT | CAH | CAF | 118.9° | 119.9° |
| CAT | CAH | HAH | 120.6° | 120.0° |
| CAG | CAE | CAD | 119.6° | 120.1° |
| CAE | CAG | HAG | 120.4° | 120.0° |
| CAG | CAE | HAE | 120.2° | 120.0° |
| CAE | CAD | CAF | 120.6° | 120.1° |
| CAD | CAE | HAE | 120.2° | 119.9° |
| CAE | CAD | HAD | 119.7° | 120.0° |
| CAD | CAF | CAH | 119.8° | 120.1° |
| CAF | CAD | HAD | 119.7° | 119.9° |
| CAD | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | HAH | 120.5° | 120.0° |
| CAH | CAF | HAF | 120.1° | 120.0° |
| HAN1 | CAN | HAN2 | 109.5° | 109.7° |
| HAL1 | CAL | HAL2 | 109.5° | 109.6° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
| HAO1 | CAO | HAO2 | 109.4° | 109.7° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAN | NBA | HAN1 | 120.4° | 119.7° |
| CAL | CAN | NBA | HAN2 | 120.4° | 119.7° |
| CAN | CAL | OAQ | HAL1 | 120.1° | 119.9° |
| CAN | CAL | OAQ | HAL2 | 120.1° | 119.9° |
| CAN | CAL | OAQ | CAM | 55.9° | 62.6° |
| CAL | CAN | NBA | CAO | 57.3° | 50.5° |
| CAL | CAN | NBA | CAU | 173.8° | 129.5° |
| CAL | CAN | HAN1 | HAN2 | 119.0° | 120.5° |
| CAN | CAL | HAL1 | HAL2 | 119.8° | 120.1° |
| NBA | CAN | CAL | OAQ | 56.2° | 52.3° |
| CAN | NBA | CAO | CAM | 57.7° | 50.5° |
| CAN | NBA | CAO | CAU | 131.0° | 180.0° |
| CAN | NBA | CAU | CAJ | 2.4° | 148.0° |
| CAN | NBA | CAU | OAR | 174.5° | 31.7° |
| NBA | CAN | HAN1 | HAN2 | 118.9° | 120.6° |
| NBA | CAN | CAL | HAL1 | 176.3° | 67.6° |
| NBA | CAN | CAL | HAL2 | 63.8° | 172.2° |
| CAN | NBA | CAO | HAO1 | 62.4° | 170.3° |
| CAN | NBA | CAO | HAO2 | 177.8° | 69.2° |
| CAL | OAQ | CAM | CAO | 57.9° | 62.6° |
| OAQ | CAL | CAN | HAN1 | 176.5° | 67.4° |
| OAQ | CAL | CAN | HAN2 | 64.1° | 172.0° |
| OAQ | CAL | HAL1 | HAL2 | 119.8° | 120.1° |
| CAL | OAQ | CAM | HAM1 | 178.1° | 57.4° |
| CAL | OAQ | CAM | HAM2 | 62.3° | 177.5° |
| OAQ | CAM | CAO | HAM1 | 120.2° | 120.0° |
| OAQ | CAM | CAO | HAM2 | 120.3° | 120.0° |
| OAQ | CAM | CAO | NBA | 58.9° | 52.3° |
| CAM | OAQ | CAL | HAL1 | 175.9° | 57.3° |
| CAM | OAQ | CAL | HAL2 | 64.2° | 177.5° |
| OAQ | CAM | HAM1 | HAM2 | 119.3° | 120.1° |
| OAQ | CAM | CAO | HAO1 | 61.2° | 172.0° |
| OAQ | CAM | CAO | HAO2 | 179.0° | 67.4° |
| CAM | CAO | NBA | HAO1 | 120.1° | 119.8° |
| CAM | CAO | NBA | HAO2 | 120.1° | 119.7° |
| CAM | CAO | NBA | CAU | 171.3° | 129.5° |
| CAO | CAM | HAM1 | HAM2 | 119.3° | 120.1° |
| CAM | CAO | HAO1 | HAO2 | 119.7° | 120.5° |
| CAO | NBA | CAU | CAJ | 124.4° | 32.0° |
| CAO | NBA | CAU | OAR | 58.8° | 148.3° |
| CAO | NBA | CAN | HAN1 | 177.7° | 69.2° |
| CAO | NBA | CAN | HAN2 | 63.0° | 170.3° |
| NBA | CAO | CAM | HAM1 | 179.1° | 67.7° |
| NBA | CAO | CAM | HAM2 | 61.3° | 172.2° |
| NBA | CAO | HAO1 | HAO2 | 119.7° | 120.5° |
| NBA | CAU | CAJ | OAR | 176.8° | 179.7° |
| NBA | CAU | CAJ | CAW | 178.1° | 180.0° |
| NBA | CAU | OAR | CAY | 177.8° | 180.0° |
| CAU | NBA | CAN | HAN1 | 53.4° | 110.8° |
| CAU | NBA | CAN | HAN2 | 65.9° | 9.8° |
| CAU | NBA | CAO | HAO1 | 68.6° | 9.7° |
| CAU | NBA | CAO | HAO2 | 51.2° | 110.8° |
| NBA | CAU | CAJ | HAJ | 1.8° | 0.1° |
| CAU | CAJ | CAW | HAJ | 180.0° | 179.9° |
| CAU | CAJ | CAW | OAC | 179.9° | 180.0° |
| CAU | CAJ | CAW | CAX | 1.2° | 0.0° |
| CAJ | CAU | OAR | CAY | 0.9° | 0.3° |
| OAR | CAU | CAJ | CAW | 1.4° | 0.3° |
| CAU | OAR | CAY | CAX | 0.3° | 0.0° |
| CAU | OAR | CAY | CAV | 179.3° | 180.0° |
| OAR | CAU | CAJ | HAJ | 178.6° | 179.8° |
| CAJ | CAW | OAC | CAX | 178.9° | 179.9° |
| CAJ | CAW | CAX | CAY | 0.6° | 0.3° |
| CAJ | CAW | CAX | CAK | 179.4° | 180.0° |
| OAC | CAW | CAX | CAY | 179.4° | 179.7° |
| OAC | CAW | CAX | CAK | 0.5° | 0.0° |
| OAC | CAW | CAJ | HAJ | 0.1° | 0.1° |
| CAW | CAX | CAY | OAR | 0.1° | 0.3° |
| CAW | CAX | CAY | CAK | 180.0° | 179.7° |
| CAW | CAX | CAY | CAV | 179.5° | 179.7° |
| CAW | CAX | CAK | CAS | 179.7° | 180.0° |
| CAX | CAW | CAJ | HAJ | 178.8° | 179.9° |
| CAW | CAX | CAK | HAK | 0.3° | 0.0° |
| OAR | CAY | CAX | CAV | 179.6° | 180.0° |
| OAR | CAY | CAX | CAK | 179.8° | 180.0° |
| OAR | CAY | CAV | CAI | 179.9° | 179.4° |
| OAR | CAY | CAV | CAZ | 2.4° | 0.0° |
| CAY | CAX | CAK | CAS | 0.4° | 0.3° |
| CAX | CAY | CAV | CAI | 0.5° | 0.6° |
| CAX | CAY | CAV | CAZ | 178.1° | 180.0° |
| CAY | CAX | CAK | HAK | 179.7° | 179.8° |
| CAV | CAY | CAX | CAK | 0.6° | 0.0° |
| CAY | CAV | CAI | CAS | 0.2° | 0.9° |
| CAY | CAV | CAI | CAZ | 177.9° | 179.4° |
| CAY | CAV | CAZ | CAB | 58.5° | 88.1° |
| CAY | CAV | CAZ | NAP | 60.4° | 151.9° |
| CAY | CAV | CAI | HAI | 179.9° | 179.7° |
| CAY | CAV | CAZ | HAZ | 177.6° | 31.9° |
| CAX | CAK | CAS | HAK | 180.0° | 179.9° |
| CAX | CAK | CAS | CAA | 179.5° | 180.0° |
| CAX | CAK | CAS | CAI | 0.0° | 0.0° |
| CAK | CAS | CAA | CAI | 179.5° | 180.0° |
| CAK | CAS | CAI | CAV | 0.1° | 0.6° |
| CAK | CAS | CAA | HAA1 | 89.8° | 90.0° |
| CAK | CAS | CAA | HAA2 | 150.2° | 150.0° |
| CAK | CAS | CAA | HAA3 | 30.2° | 30.0° |
| CAK | CAS | CAI | HAI | 179.9° | 180.0° |
| CAA | CAS | CAI | CAV | 179.6° | 179.4° |
| CAA | CAS | CAK | HAK | 0.5° | 0.1° |
| CAS | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAS | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAS | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAS | CAI | HAI | 0.4° | 0.0° |
| CAS | CAI | CAV | HAI | 180.0° | 179.4° |
| CAS | CAI | CAV | CAZ | 178.0° | 179.7° |
| CAI | CAS | CAK | HAK | 180.0° | 180.0° |
| CAI | CAS | CAA | HAA1 | 89.8° | 90.0° |
| CAI | CAS | CAA | HAA2 | 30.2° | 30.0° |
| CAI | CAS | CAA | HAA3 | 150.2° | 150.1° |
| CAI | CAV | CAZ | CAB | 119.1° | 92.5° |
| CAI | CAV | CAZ | NAP | 122.0° | 27.5° |
| CAI | CAV | CAZ | HAZ | 0.1° | 147.5° |
| CAV | CAZ | CAB | NAP | 122.9° | 120.0° |
| CAV | CAZ | CAB | HAZ | 120.0° | 120.0° |
| CAV | CAZ | NAP | HAZ | 122.2° | 119.9° |
| CAV | CAZ | NAP | CAT | 105.1° | 154.3° |
| CAZ | CAV | CAI | HAI | 2.0° | 0.3° |
| CAV | CAZ | CAB | HAB1 | 180.0° | 60.0° |
| CAV | CAZ | CAB | HAB2 | 60.0° | 180.0° |
| CAV | CAZ | CAB | HAB3 | 60.0° | 60.0° |
| CAV | CAZ | NAP | HAP | 16.5° | 25.8° |
| CAB | CAZ | NAP | HAZ | 116.3° | 120.0° |
| CAB | CAZ | NAP | CAT | 133.3° | 85.7° |
| CAZ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CAZ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| CAZ | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| CAB | CAZ | NAP | HAP | 105.1° | 94.2° |
| CAZ | NAP | CAT | HAP | 121.6° | 179.9° |
| CAZ | NAP | CAT | CAG | 96.1° | 179.9° |
| CAZ | NAP | CAT | CAH | 85.5° | 0.2° |
| NAP | CAZ | CAB | HAB1 | 57.1° | 180.0° |
| NAP | CAZ | CAB | HAB2 | 63.0° | 60.0° |
| NAP | CAZ | CAB | HAB3 | 177.1° | 60.1° |
| NAP | CAT | CAG | CAH | 178.4° | 179.7° |
| NAP | CAT | CAG | CAE | 178.1° | 180.0° |
| NAP | CAT | CAH | CAF | 178.1° | 179.7° |
| CAT | NAP | CAZ | HAZ | 17.1° | 34.4° |
| NAP | CAT | CAG | HAG | 1.9° | 0.1° |
| NAP | CAT | CAH | HAH | 1.9° | 0.0° |
| CAT | CAG | CAE | HAG | 180.0° | 179.9° |
| CAT | CAG | CAE | CAD | 0.3° | 0.1° |
| CAG | CAT | CAH | CAF | 0.3° | 0.6° |
| CAG | CAT | NAP | HAP | 142.3° | 0.1° |
| CAG | CAT | CAH | HAH | 179.7° | 179.7° |
| CAT | CAG | CAE | HAE | 179.7° | 180.0° |
| CAH | CAT | CAG | CAE | 0.3° | 0.3° |
| CAT | CAH | CAF | CAD | 0.2° | 0.6° |
| CAT | CAH | CAF | HAH | 180.0° | 179.7° |
| CAH | CAT | NAP | HAP | 36.1° | 179.6° |
| CAH | CAT | CAG | HAG | 179.7° | 179.8° |
| CAT | CAH | CAF | HAF | 179.8° | 179.7° |
| CAG | CAE | CAD | HAE | 180.0° | 180.0° |
| CAG | CAE | CAD | CAF | 0.2° | 0.1° |
| CAG | CAE | CAD | HAD | 179.8° | 180.0° |
| CAE | CAD | CAF | HAD | 180.0° | 180.0° |
| CAE | CAD | CAF | CAH | 0.2° | 0.3° |
| CAD | CAE | CAG | HAG | 179.7° | 180.0° |
| CAE | CAD | CAF | HAF | 179.8° | 180.0° |
| CAD | CAF | CAH | HAF | 180.0° | 179.7° |
| CAD | CAF | CAH | HAH | 179.8° | 179.7° |
| CAF | CAD | CAE | HAE | 179.8° | 180.0° |
| CAH | CAF | CAD | HAD | 179.8° | 179.7° |
| HAN1 | CAN | CAL | HAL1 | 63.4° | 172.7° |
| HAN1 | CAN | CAL | HAL2 | 56.5° | 52.5° |
| HAN2 | CAN | CAL | HAL1 | 55.9° | 52.1° |
| HAN2 | CAN | CAL | HAL2 | 175.8° | 68.1° |
| HAM1 | CAM | CAO | HAO1 | 59.0° | 52.1° |
| HAM1 | CAM | CAO | HAO2 | 60.8° | 172.6° |
| HAM2 | CAM | CAO | HAO1 | 178.5° | 68.0° |
| HAM2 | CAM | CAO | HAO2 | 58.7° | 52.6° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAZ | CAZ | CAB | HAB1 | 60.0° | 60.0° |
| HAZ | CAZ | CAB | HAB2 | 179.9° | 60.0° |
| HAZ | CAZ | CAB | HAB3 | 60.0° | 179.9° |
| HAZ | CAZ | NAP | HAP | 138.7° | 145.8° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAG | CAG | CAE | HAE | 0.3° | 0.0° |
| HAH | CAH | CAF | HAF | 0.2° | 0.1° |
| HAE | CAE | CAD | HAD | 0.2° | 0.0° |
| HAD | CAD | CAF | HAF | 0.1° | 0.0° |
