P07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAM | sing | 1.53Å | 1.51Å | |
| CAM | NBA | sing | 1.46Å | 1.54Å | |
| NBA | NAQ | sing | 1.29Å | 1.35Å | Aromatic |
| NBA | CAY | sing | 1.36Å | 1.35Å | Aromatic |
| NAQ | NAP | doub | 1.29Å | 1.23Å | Aromatic |
| NAP | CAX | sing | 1.34Å | 1.35Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.38Å | Aromatic |
| CAX | CAT | sing | 1.48Å | 1.34Å | |
| CAY | CAU | sing | 1.48Å | 1.38Å | |
| CAU | CAI | sing | 1.39Å | 1.43Å | Aromatic |
| CAU | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | CAW | sing | 1.48Å | 1.39Å | |
| CAW | NAO | sing | 1.34Å | 1.34Å | Aromatic |
| CAW | CAZ | doub | 1.38Å | 1.38Å | Aromatic |
| NAO | NAR | doub | 1.29Å | 1.24Å | Aromatic |
| NAR | NBB | sing | 1.29Å | 1.34Å | Aromatic |
| NBB | CAN | sing | 1.46Å | 1.44Å | |
| NBB | CAZ | sing | 1.36Å | 1.40Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.60Å | |
| CAZ | CAV | sing | 1.47Å | 1.41Å | |
| CAV | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAV | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAJ | sing | 1.37Å | 1.44Å | Aromatic |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK3 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| 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 | |
| CAL | HAL3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | 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) |
| CAK | CAM | NBA | 117.1° | 109.5° |
| CAM | CAK | HAK1 | 109.5° | 109.5° |
| CAM | CAK | HAK2 | 109.5° | 109.5° |
| CAM | CAK | HAK3 | 109.5° | 109.4° |
| CAK | CAM | HAM1 | 107.6° | 109.5° |
| CAK | CAM | HAM2 | 107.5° | 109.5° |
| CAM | NBA | NAQ | 124.7° | 126.0° |
| CAM | NBA | CAY | 125.8° | 126.0° |
| NBA | CAM | HAM1 | 107.5° | 109.4° |
| NBA | CAM | HAM2 | 107.5° | 109.5° |
| NAQ | NBA | CAY | 109.2° | 108.1° |
| NBA | NAQ | NAP | 108.3° | 111.0° |
| NBA | CAY | CAX | 104.3° | 105.8° |
| NBA | CAY | CAU | 123.3° | 126.7° |
| NAQ | NAP | CAX | 111.9° | 109.1° |
| NAP | CAX | CAY | 106.2° | 106.1° |
| NAP | CAX | CAT | 123.2° | 126.5° |
| CAY | CAX | CAT | 130.5° | 127.4° |
| CAX | CAY | CAU | 132.3° | 127.6° |
| CAX | CAT | CAV | 121.5° | 120.7° |
| CAX | CAT | CAH | 119.4° | 119.9° |
| CAY | CAU | CAI | 116.5° | 120.0° |
| CAY | CAU | CAS | 126.5° | 120.4° |
| CAI | CAU | CAS | 116.9° | 119.6° |
| CAU | CAI | CAE | 125.9° | 120.0° |
| CAU | CAI | HAI | 117.1° | 120.0° |
| CAU | CAS | CAG | 117.8° | 119.6° |
| CAU | CAS | CAW | 121.2° | 120.4° |
| CAI | CAE | CAC | 116.1° | 120.3° |
| CAE | CAI | HAI | 117.1° | 120.0° |
| CAI | CAE | HAE | 121.9° | 119.9° |
| CAE | CAC | CAG | 118.5° | 120.3° |
| CAC | CAE | HAE | 122.0° | 119.8° |
| CAE | CAC | HAC | 120.7° | 119.8° |
| CAC | CAG | CAS | 124.7° | 120.1° |
| CAG | CAC | HAC | 120.8° | 119.8° |
| CAC | CAG | HAG | 117.6° | 120.0° |
| CAG | CAS | CAW | 120.9° | 120.0° |
| CAS | CAG | HAG | 117.6° | 119.9° |
| CAS | CAW | NAO | 124.7° | 126.5° |
| CAS | CAW | CAZ | 129.8° | 127.5° |
| NAO | CAW | CAZ | 105.3° | 106.0° |
| CAW | NAO | NAR | 113.5° | 109.0° |
| CAW | CAZ | NBB | 104.8° | 105.8° |
| CAW | CAZ | CAV | 132.8° | 127.5° |
| NAO | NAR | NBB | 108.5° | 111.1° |
| NAR | NBB | CAN | 122.9° | 126.0° |
| NAR | NBB | CAZ | 107.8° | 108.1° |
| CAN | NBB | CAZ | 129.0° | 126.0° |
| NBB | CAN | CAL | 112.5° | 109.5° |
| NBB | CAN | HAN1 | 108.7° | 109.5° |
| NBB | CAN | HAN2 | 108.7° | 109.5° |
| NBB | CAZ | CAV | 122.3° | 126.7° |
| CAL | CAN | HAN1 | 108.7° | 109.5° |
| CAL | CAN | HAN2 | 108.7° | 109.5° |
| CAN | CAL | HAL1 | 109.5° | 109.5° |
| CAN | CAL | HAL2 | 109.5° | 109.5° |
| CAN | CAL | HAL3 | 109.5° | 109.5° |
| CAZ | CAV | CAT | 125.9° | 120.3° |
| CAZ | CAV | CAJ | 114.9° | 120.0° |
| CAT | CAV | CAJ | 119.2° | 119.7° |
| CAV | CAT | CAH | 119.1° | 119.3° |
| CAV | CAJ | CAF | 123.4° | 120.3° |
| CAV | CAJ | HAJ | 118.3° | 120.0° |
| CAT | CAH | CAD | 121.9° | 120.0° |
| CAT | CAH | HAH | 119.1° | 120.0° |
| CAH | CAD | CAF | 121.3° | 120.4° |
| CAD | CAH | HAH | 119.0° | 120.0° |
| CAH | CAD | HAD | 119.4° | 119.8° |
| CAD | CAF | CAJ | 115.2° | 120.2° |
| CAF | CAD | HAD | 119.3° | 119.8° |
| CAD | CAF | HAF | 122.4° | 119.9° |
| CAF | CAJ | HAJ | 118.3° | 119.7° |
| CAJ | CAF | HAF | 122.4° | 120.0° |
| HAK1 | CAK | HAK2 | 109.4° | 109.5° |
| HAK1 | CAK | HAK3 | 109.5° | 109.4° |
| HAK2 | CAK | HAK3 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.4° |
| HAN1 | CAN | HAN2 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.4° | 109.5° |
| HAL1 | CAL | HAL3 | 109.5° | 109.4° |
| HAL2 | CAL | HAL3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAM | NBA | HAM1 | 121.1° | 120.0° |
| CAK | CAM | NBA | HAM2 | 121.1° | 120.1° |
| CAK | CAM | NBA | NAQ | 35.0° | 90.0° |
| CAK | CAM | NBA | CAY | 151.6° | 90.3° |
| CAM | CAK | HAK1 | HAK2 | 120.0° | 120.0° |
| CAM | CAK | HAK1 | HAK3 | 120.0° | 120.0° |
| CAM | CAK | HAK2 | HAK3 | 120.0° | 120.0° |
| CAK | CAM | HAM1 | HAM2 | 116.5° | 120.0° |
| CAM | NBA | NAQ | CAY | 174.3° | 179.8° |
| CAM | NBA | NAQ | NAP | 171.5° | 179.9° |
| CAM | NBA | CAY | CAX | 173.2° | 179.7° |
| CAM | NBA | CAY | CAU | 10.2° | 0.2° |
| NBA | CAM | CAK | HAK1 | 180.0° | 60.0° |
| NBA | CAM | CAK | HAK2 | 60.0° | 60.0° |
| NBA | CAM | CAK | HAK3 | 60.0° | 180.0° |
| NBA | CAM | HAM1 | HAM2 | 116.5° | 120.0° |
| NBA | NAQ | NAP | CAX | 3.5° | 0.0° |
| NAQ | NBA | CAY | CAX | 1.1° | 0.5° |
| NAQ | NBA | CAY | CAU | 175.6° | 179.6° |
| NAQ | NBA | CAM | HAM1 | 86.1° | 30.0° |
| NAQ | NBA | CAM | HAM2 | 156.1° | 149.9° |
| CAY | NBA | NAQ | NAP | 2.8° | 0.3° |
| NBA | CAY | CAX | NAP | 0.9° | 0.5° |
| NBA | CAY | CAX | CAU | 176.2° | 179.9° |
| NBA | CAY | CAX | CAT | 176.1° | 179.7° |
| NBA | CAY | CAU | CAI | 54.7° | 63.2° |
| NBA | CAY | CAU | CAS | 126.9° | 116.8° |
| CAY | NBA | CAM | HAM1 | 87.3° | 149.8° |
| CAY | NBA | CAM | HAM2 | 30.5° | 29.8° |
| NAQ | NAP | CAX | CAY | 2.8° | 0.4° |
| NAQ | NAP | CAX | CAT | 174.5° | 179.8° |
| NAP | CAX | CAY | CAT | 177.0° | 179.8° |
| NAP | CAX | CAY | CAU | 177.1° | 179.5° |
| NAP | CAX | CAT | CAV | 129.7° | 117.3° |
| NAP | CAX | CAT | CAH | 48.9° | 63.1° |
| CAX | CAY | CAU | CAI | 120.9° | 116.9° |
| CAX | CAY | CAU | CAS | 57.5° | 63.1° |
| CAY | CAX | CAT | CAV | 53.8° | 62.9° |
| CAY | CAX | CAT | CAH | 127.6° | 116.6° |
| CAT | CAX | CAY | CAU | 0.1° | 0.3° |
| CAX | CAT | CAV | CAZ | 1.2° | 0.3° |
| CAX | CAT | CAV | CAH | 178.6° | 179.6° |
| CAX | CAT | CAV | CAJ | 179.4° | 179.9° |
| CAX | CAT | CAH | CAD | 179.9° | 179.9° |
| CAX | CAT | CAH | HAH | 0.1° | 0.1° |
| CAY | CAU | CAI | CAS | 178.6° | 180.0° |
| CAY | CAU | CAI | CAE | 177.7° | 180.0° |
| CAY | CAU | CAS | CAG | 178.5° | 179.9° |
| CAY | CAU | CAS | CAW | 2.7° | 0.0° |
| CAY | CAU | CAI | HAI | 2.3° | 0.0° |
| CAU | CAI | CAE | HAI | 180.0° | 180.0° |
| CAU | CAI | CAE | CAC | 2.3° | 0.1° |
| CAI | CAU | CAS | CAG | 3.1° | 0.1° |
| CAI | CAU | CAS | CAW | 175.7° | 180.0° |
| CAU | CAI | CAE | HAE | 177.7° | 180.0° |
| CAS | CAU | CAI | CAE | 3.7° | 0.0° |
| CAU | CAS | CAG | CAC | 1.4° | 0.1° |
| CAU | CAS | CAG | CAW | 178.8° | 180.0° |
| CAU | CAS | CAW | NAO | 136.7° | 116.9° |
| CAU | CAS | CAW | CAZ | 49.1° | 63.1° |
| CAS | CAU | CAI | HAI | 176.3° | 180.0° |
| CAU | CAS | CAG | HAG | 178.5° | 179.9° |
| CAI | CAE | CAC | HAE | 180.0° | 179.9° |
| CAI | CAE | CAC | CAG | 0.4° | 0.1° |
| CAI | CAE | CAC | HAC | 179.7° | 179.9° |
| CAE | CAC | CAG | HAC | 180.0° | 180.0° |
| CAE | CAC | CAG | CAS | 0.0° | 0.0° |
| CAC | CAE | CAI | HAI | 177.7° | 179.9° |
| CAE | CAC | CAG | HAG | 180.0° | 180.0° |
| CAC | CAG | CAS | HAG | 180.0° | 180.0° |
| CAC | CAG | CAS | CAW | 177.3° | 180.0° |
| CAG | CAC | CAE | HAE | 179.6° | 180.0° |
| CAG | CAS | CAW | NAO | 44.6° | 63.2° |
| CAG | CAS | CAW | CAZ | 129.7° | 116.8° |
| CAS | CAG | CAC | HAC | 180.0° | 179.9° |
| CAS | CAW | NAO | CAZ | 175.4° | 180.0° |
| CAS | CAW | NAO | NAR | 178.7° | 179.9° |
| CAS | CAW | CAZ | NBB | 179.4° | 179.9° |
| CAS | CAW | CAZ | CAV | 2.0° | 0.3° |
| CAW | CAS | CAG | HAG | 2.7° | 0.0° |
| CAW | NAO | NAR | NBB | 0.7° | 0.1° |
| NAO | CAW | CAZ | NBB | 4.3° | 0.1° |
| NAO | CAW | CAZ | CAV | 173.1° | 179.7° |
| CAZ | CAW | NAO | NAR | 3.3° | 0.1° |
| CAW | CAZ | NBB | NAR | 4.0° | 0.1° |
| CAW | CAZ | NBB | CAN | 177.4° | 179.9° |
| CAW | CAZ | NBB | CAV | 177.7° | 179.9° |
| CAW | CAZ | CAV | CAT | 55.3° | 63.5° |
| CAW | CAZ | CAV | CAJ | 123.0° | 116.7° |
| NAO | NAR | NBB | CAN | 176.1° | 179.9° |
| NAO | NAR | NBB | CAZ | 2.2° | 0.0° |
| NAR | NBB | CAN | CAZ | 172.5° | 179.9° |
| NAR | NBB | CAN | CAL | 29.4° | 89.9° |
| NAR | NBB | CAZ | CAV | 173.7° | 179.8° |
| NAR | NBB | CAN | HAN1 | 91.1° | 150.0° |
| NAR | NBB | CAN | HAN2 | 149.8° | 30.1° |
| NBB | CAN | CAL | HAN1 | 120.4° | 120.1° |
| NBB | CAN | CAL | HAN2 | 120.5° | 120.0° |
| CAN | NBB | CAZ | CAV | 0.3° | 0.3° |
| NBB | CAN | HAN1 | HAN2 | 118.6° | 120.0° |
| NBB | CAN | CAL | HAL1 | 180.0° | 180.0° |
| NBB | CAN | CAL | HAL2 | 60.0° | 59.9° |
| NBB | CAN | CAL | HAL3 | 60.0° | 60.1° |
| CAZ | NBB | CAN | CAL | 158.1° | 90.0° |
| NBB | CAZ | CAV | CAT | 127.7° | 116.7° |
| NBB | CAZ | CAV | CAJ | 54.0° | 63.1° |
| CAZ | NBB | CAN | HAN1 | 81.5° | 30.0° |
| CAZ | NBB | CAN | HAN2 | 37.6° | 150.0° |
| CAL | CAN | HAN1 | HAN2 | 118.6° | 120.0° |
| CAN | CAL | HAL1 | HAL2 | 120.0° | 120.1° |
| CAN | CAL | HAL1 | HAL3 | 120.0° | 120.0° |
| CAN | CAL | HAL2 | HAL3 | 120.0° | 120.0° |
| CAZ | CAV | CAT | CAJ | 178.2° | 179.8° |
| CAZ | CAV | CAT | CAH | 179.7° | 179.8° |
| CAZ | CAV | CAJ | CAF | 180.0° | 179.5° |
| CAZ | CAV | CAJ | HAJ | 0.0° | 0.0° |
| CAV | CAT | CAH | CAD | 1.5° | 0.5° |
| CAT | CAV | CAJ | CAF | 1.6° | 0.3° |
| CAT | CAV | CAJ | HAJ | 178.4° | 179.8° |
| CAV | CAT | CAH | HAH | 178.5° | 179.5° |
| CAJ | CAV | CAT | CAH | 2.1° | 0.4° |
| CAV | CAJ | CAF | CAD | 0.4° | 0.9° |
| CAV | CAJ | CAF | HAJ | 180.0° | 179.5° |
| CAV | CAJ | CAF | HAF | 179.6° | 179.8° |
| CAT | CAH | CAD | HAH | 180.0° | 180.0° |
| CAT | CAH | CAD | CAF | 0.3° | 0.0° |
| CAT | CAH | CAD | HAD | 179.7° | 180.0° |
| CAH | CAD | CAF | HAD | 180.0° | 180.0° |
| CAH | CAD | CAF | CAJ | 0.3° | 0.7° |
| CAH | CAD | CAF | HAF | 179.7° | 180.0° |
| CAD | CAF | CAJ | HAF | 180.0° | 179.3° |
| CAD | CAF | CAJ | HAJ | 179.6° | 179.6° |
| CAF | CAD | CAH | HAH | 179.7° | 180.0° |
| CAJ | CAF | CAD | HAD | 179.7° | 179.3° |
| HAK1 | CAK | HAK2 | HAK3 | 120.0° | 120.0° |
| HAK1 | CAK | CAM | HAM1 | 58.9° | 59.9° |
| HAK1 | CAK | CAM | HAM2 | 58.9° | 179.9° |
| HAK2 | CAK | CAM | HAM1 | 61.1° | 180.0° |
| HAK2 | CAK | CAM | HAM2 | 178.9° | 60.1° |
| HAK3 | CAK | CAM | HAM1 | 178.9° | 60.0° |
| HAK3 | CAK | CAM | HAM2 | 61.1° | 60.0° |
| HAI | CAI | CAE | HAE | 2.3° | 0.1° |
| HAE | CAE | CAC | HAC | 0.4° | 0.0° |
| HAC | CAC | CAG | HAG | 0.0° | 0.0° |
| HAN1 | CAN | CAL | HAL1 | 59.6° | 59.9° |
| HAN1 | CAN | CAL | HAL2 | 179.5° | 180.0° |
| HAN1 | CAN | CAL | HAL3 | 60.5° | 60.0° |
| HAN2 | CAN | CAL | HAL1 | 59.5° | 60.0° |
| HAN2 | CAN | CAL | HAL2 | 60.4° | 60.0° |
| HAN2 | CAN | CAL | HAL3 | 179.6° | 180.0° |
| HAL1 | CAL | HAL2 | HAL3 | 120.0° | 119.9° |
| HAJ | CAJ | CAF | HAF | 0.4° | 0.3° |
| HAH | CAH | CAD | HAD | 0.3° | 0.0° |
| HAD | CAD | CAF | HAF | 0.3° | 0.0° |






