P09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAU | sing | 1.51Å | 1.55Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAV | CAB | sing | 1.51Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAS | OAC | sing | 1.35Å | 1.24Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAT | OAD | doub | 1.22Å | 1.25Å | |
| OAE | CAS | doub | 1.21Å | 1.27Å | |
| CAG | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAZ | CAH | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CBA | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAW | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAO | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAX | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAY | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CAP | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAW | NAQ | sing | 1.40Å | 1.36Å | |
| NAQ | CAT | sing | 1.35Å | 1.33Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAY | OAR | sing | 1.36Å | 1.36Å | |
| OAR | CAX | sing | 1.36Å | 1.37Å | |
| CAS | CAZ | sing | 1.48Å | 1.55Å | |
| CAT | CBA | sing | 1.48Å | 1.54Å | |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.41Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAA | HAA | 109.5° | 109.5° |
| CAU | CAA | HAAA | 109.5° | 109.4° |
| CAU | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAU | CAJ | 116.5° | 119.9° |
| CAA | CAU | CAV | 124.2° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| CAV | CAB | HAB | 109.5° | 109.5° |
| CAV | CAB | HABA | 109.4° | 109.4° |
| CAV | CAB | HABB | 109.5° | 109.4° |
| CAB | CAV | CAP | 117.5° | 120.0° |
| CAB | CAV | CAU | 121.9° | 119.9° |
| HAB | CAB | HABA | 109.4° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CAS | OAC | HOAC | 109.5° | 117.0° |
| OAC | CAS | OAE | 125.0° | 120.1° |
| OAC | CAS | CAZ | 115.3° | 120.0° |
| OAD | CAT | NAQ | 126.0° | 120.0° |
| OAD | CAT | CBA | 117.6° | 120.0° |
| OAE | CAS | CAZ | 119.5° | 120.0° |
| CAG | CAF | CAH | 121.4° | 120.4° |
| CAG | CAF | HAF | 119.3° | 119.8° |
| CAF | CAG | CAI | 118.5° | 120.4° |
| CAF | CAG | HAG | 120.7° | 119.8° |
| CAH | CAF | HAF | 119.3° | 119.8° |
| CAF | CAH | CAZ | 119.3° | 119.9° |
| CAF | CAH | HAH | 120.4° | 120.0° |
| CAI | CAG | HAG | 120.8° | 119.8° |
| CAG | CAI | CBA | 120.8° | 120.0° |
| CAG | CAI | HAI | 119.6° | 119.9° |
| CAZ | CAH | HAH | 120.4° | 120.1° |
| CAH | CAZ | CAS | 119.5° | 120.2° |
| CAH | CAZ | CBA | 118.8° | 119.6° |
| CBA | CAI | HAI | 119.6° | 120.0° |
| CAI | CBA | CAT | 117.1° | 120.2° |
| CAI | CBA | CAZ | 121.1° | 119.6° |
| CAM | CAJ | CAU | 120.7° | 120.1° |
| CAM | CAJ | HAJ | 119.7° | 119.9° |
| CAJ | CAM | CAY | 119.6° | 119.9° |
| CAJ | CAM | HAM | 120.2° | 120.1° |
| CAU | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAU | CAV | 119.3° | 120.1° |
| CAN | CAK | CAW | 120.2° | 120.0° |
| CAN | CAK | HAK | 119.9° | 120.0° |
| CAK | CAN | CAX | 119.9° | 120.0° |
| CAK | CAN | HAN | 120.0° | 120.0° |
| CAW | CAK | HAK | 119.9° | 120.0° |
| CAK | CAW | CAL | 118.8° | 120.0° |
| CAK | CAW | NAQ | 121.5° | 120.0° |
| CAO | CAL | CAW | 121.2° | 120.0° |
| CAO | CAL | HAL | 119.4° | 120.0° |
| CAL | CAO | CAX | 120.1° | 120.0° |
| CAL | CAO | HAO | 120.0° | 120.0° |
| CAW | CAL | HAL | 119.4° | 120.0° |
| CAL | CAW | NAQ | 119.6° | 120.0° |
| CAY | CAM | HAM | 120.2° | 120.0° |
| CAM | CAY | CAP | 120.9° | 119.9° |
| CAM | CAY | OAR | 114.6° | 120.1° |
| CAX | CAN | HAN | 120.0° | 120.0° |
| CAN | CAX | CAO | 119.8° | 120.0° |
| CAN | CAX | OAR | 121.8° | 120.0° |
| CAX | CAO | HAO | 120.0° | 120.0° |
| CAO | CAX | OAR | 118.3° | 120.0° |
| CAY | CAP | CAV | 119.0° | 119.9° |
| CAY | CAP | HAP | 120.5° | 120.1° |
| CAP | CAY | OAR | 124.5° | 120.0° |
| CAV | CAP | HAP | 120.5° | 120.0° |
| CAP | CAV | CAU | 120.5° | 120.1° |
| CAW | NAQ | CAT | 122.9° | 120.0° |
| CAW | NAQ | HNAQ | 118.6° | 119.9° |
| CAT | NAQ | HNAQ | 118.6° | 120.0° |
| NAQ | CAT | CBA | 116.3° | 120.0° |
| CAY | OAR | CAX | 122.1° | 118.0° |
| CAS | CAZ | CBA | 121.6° | 120.2° |
| CAT | CBA | CAZ | 121.7° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAU | CAA | HAA | HAAB | 120.0° | 120.1° |
| CAU | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAU | CAV | CAB | 2.3° | 0.0° |
| CAA | CAU | CAJ | CAM | 179.6° | 180.0° |
| CAA | CAU | CAJ | CAV | 179.3° | 180.0° |
| CAA | CAU | CAJ | HAJ | 0.4° | 0.3° |
| CAA | CAU | CAV | CAP | 179.2° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAU | CAJ | 90.3° | 90.0° |
| HAA | CAA | CAU | CAV | 90.5° | 90.0° |
| HAAA | CAA | CAU | CAJ | 149.7° | 150.0° |
| HAAA | CAA | CAU | CAV | 29.6° | 30.0° |
| HAAB | CAA | CAU | CAJ | 29.7° | 30.1° |
| HAAB | CAA | CAU | CAV | 149.6° | 149.9° |
| CAV | CAB | HAB | HABA | 120.0° | 120.0° |
| CAV | CAB | HAB | HABB | 120.0° | 120.0° |
| CAV | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAV | CAU | CAJ | 178.5° | 180.0° |
| CAB | CAV | CAP | CAY | 179.5° | 180.0° |
| CAB | CAV | CAP | CAU | 177.1° | 180.0° |
| CAB | CAV | CAP | HAP | 0.5° | 0.1° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAV | CAP | 91.4° | 89.9° |
| HAB | CAB | CAV | CAU | 91.6° | 90.0° |
| HABA | CAB | CAV | CAP | 148.7° | 30.0° |
| HABA | CAB | CAV | CAU | 28.4° | 150.0° |
| HABB | CAB | CAV | CAP | 28.6° | 150.1° |
| HABB | CAB | CAV | CAU | 148.4° | 30.0° |
| OAC | CAS | OAE | CAZ | 174.8° | 179.9° |
| OAC | CAS | CAZ | CAH | 30.2° | 6.6° |
| OAC | CAS | CAZ | CBA | 152.3° | 173.5° |
| HOAC | OAC | CAS | OAE | 0.0° | 0.0° |
| HOAC | OAC | CAS | CAZ | 175.0° | 180.0° |
| OAD | CAT | CBA | CAI | 112.6° | 126.2° |
| OAD | CAT | NAQ | CAW | 4.6° | 4.0° |
| OAD | CAT | NAQ | CBA | 179.4° | 179.9° |
| OAD | CAT | NAQ | HNAQ | 175.4° | 176.0° |
| OAD | CAT | CBA | CAZ | 62.8° | 54.0° |
| OAE | CAS | CAZ | CAH | 145.0° | 173.5° |
| OAE | CAS | CAZ | CBA | 32.5° | 6.4° |
| CAG | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAG | CAI | HAG | 180.0° | 179.9° |
| CAG | CAF | CAH | CAZ | 0.0° | 0.4° |
| CAG | CAF | CAH | HAH | 179.9° | 179.7° |
| CAF | CAG | CAI | CBA | 0.5° | 0.1° |
| CAF | CAG | CAI | HAI | 179.5° | 180.0° |
| CAH | CAF | CAG | CAI | 0.6° | 0.4° |
| CAH | CAF | CAG | HAG | 179.4° | 179.7° |
| CAF | CAH | CAZ | HAH | 180.0° | 179.9° |
| CAF | CAH | CAZ | CAS | 179.3° | 180.0° |
| CAF | CAH | CAZ | CBA | 1.7° | 0.1° |
| HAF | CAF | CAG | CAI | 179.4° | 179.9° |
| HAF | CAF | CAG | HAG | 0.6° | 0.0° |
| HAF | CAF | CAH | CAZ | 180.0° | 179.9° |
| HAF | CAF | CAH | HAH | 0.0° | 0.0° |
| CAG | CAI | CBA | HAI | 180.0° | 180.0° |
| CAG | CAI | CBA | CAT | 177.7° | 180.0° |
| CAG | CAI | CBA | CAZ | 2.2° | 0.2° |
| HAG | CAG | CAI | CBA | 179.5° | 180.0° |
| HAG | CAG | CAI | HAI | 0.5° | 0.0° |
| CAH | CAZ | CBA | CAI | 2.8° | 0.2° |
| CAH | CAZ | CAS | CBA | 177.5° | 179.9° |
| CAH | CAZ | CBA | CAT | 178.1° | 179.9° |
| HAH | CAH | CAZ | CAS | 0.7° | 0.1° |
| HAH | CAH | CAZ | CBA | 178.2° | 180.0° |
| CAI | CBA | CAT | NAQ | 68.0° | 53.8° |
| CAI | CBA | CAZ | CAS | 179.6° | 179.7° |
| CAI | CBA | CAT | CAZ | 175.4° | 179.8° |
| HAI | CAI | CBA | CAT | 2.3° | 0.0° |
| HAI | CAI | CBA | CAZ | 177.8° | 179.8° |
| CAM | CAJ | CAU | HAJ | 180.0° | 179.8° |
| CAJ | CAM | CAY | HAM | 180.0° | 180.0° |
| CAJ | CAM | CAY | CAP | 1.0° | 0.0° |
| CAJ | CAM | CAY | OAR | 179.1° | 180.0° |
| CAM | CAJ | CAU | CAV | 0.4° | 0.0° |
| CAU | CAJ | CAM | CAY | 0.1° | 0.0° |
| CAU | CAJ | CAM | HAM | 179.9° | 180.0° |
| CAJ | CAU | CAV | CAP | 1.6° | 0.0° |
| HAJ | CAJ | CAM | CAY | 179.9° | 179.8° |
| HAJ | CAJ | CAM | HAM | 0.1° | 0.2° |
| HAJ | CAJ | CAU | CAV | 179.6° | 179.8° |
| CAN | CAK | CAW | HAK | 180.0° | 179.7° |
| CAN | CAK | CAW | CAL | 1.1° | 0.3° |
| CAK | CAN | CAX | HAN | 180.0° | 180.0° |
| CAK | CAN | CAX | CAO | 2.5° | 0.0° |
| CAN | CAK | CAW | NAQ | 176.6° | 179.7° |
| CAK | CAN | CAX | OAR | 178.1° | 179.7° |
| CAK | CAW | CAL | CAO | 1.4° | 0.0° |
| CAK | CAW | CAL | NAQ | 175.6° | 180.0° |
| CAK | CAW | CAL | HAL | 178.6° | 180.0° |
| CAW | CAK | CAN | CAX | 1.6° | 0.2° |
| CAW | CAK | CAN | HAN | 178.4° | 179.7° |
| CAK | CAW | NAQ | CAT | 16.5° | 35.8° |
| CAK | CAW | NAQ | HNAQ | 163.5° | 144.2° |
| HAK | CAK | CAW | CAL | 178.9° | 180.0° |
| HAK | CAK | CAN | CAX | 178.4° | 179.9° |
| HAK | CAK | CAN | HAN | 1.6° | 0.0° |
| HAK | CAK | CAW | NAQ | 3.4° | 0.0° |
| CAO | CAL | CAW | HAL | 180.0° | 180.0° |
| CAL | CAO | CAX | CAN | 2.8° | 0.3° |
| CAL | CAO | CAX | HAO | 180.0° | 179.8° |
| CAO | CAL | CAW | NAQ | 177.0° | 180.0° |
| CAL | CAO | CAX | OAR | 178.6° | 180.0° |
| CAW | CAL | CAO | CAX | 2.3° | 0.2° |
| CAW | CAL | CAO | HAO | 177.7° | 180.0° |
| CAL | CAW | NAQ | CAT | 168.1° | 144.2° |
| CAL | CAW | NAQ | HNAQ | 11.9° | 35.8° |
| HAL | CAL | CAO | CAX | 177.7° | 179.7° |
| HAL | CAL | CAO | HAO | 2.3° | 0.1° |
| HAL | CAL | CAW | NAQ | 3.0° | 0.0° |
| CAM | CAY | CAP | OAR | 177.9° | 180.0° |
| CAM | CAY | CAP | CAV | 2.2° | 0.1° |
| CAM | CAY | CAP | HAP | 177.8° | 180.0° |
| CAM | CAY | OAR | CAX | 162.1° | 3.7° |
| HAM | CAM | CAY | CAP | 179.0° | 180.0° |
| HAM | CAM | CAY | OAR | 0.9° | 0.0° |
| CAN | CAX | CAO | OAR | 175.8° | 179.7° |
| CAN | CAX | CAO | HAO | 177.2° | 180.0° |
| CAN | CAX | OAR | CAY | 71.1° | 78.5° |
| HAN | CAN | CAX | CAO | 177.5° | 180.0° |
| HAN | CAN | CAX | OAR | 1.8° | 0.3° |
| CAO | CAX | OAR | CAY | 113.1° | 101.8° |
| HAO | CAO | CAX | OAR | 1.4° | 0.3° |
| CAY | CAP | CAV | HAP | 180.0° | 179.9° |
| CAP | CAY | OAR | CAX | 15.9° | 176.2° |
| CAY | CAP | CAV | CAU | 2.5° | 0.1° |
| CAV | CAP | CAY | OAR | 180.0° | 180.0° |
| HAP | CAP | CAY | OAR | 0.0° | 0.1° |
| HAP | CAP | CAV | CAU | 177.6° | 179.9° |
| CAW | NAQ | CAT | HNAQ | 180.0° | 180.0° |
| CAW | NAQ | CAT | CBA | 176.0° | 176.0° |
| NAQ | CAT | CBA | CAZ | 116.6° | 125.9° |
| HNAQ | NAQ | CAT | CBA | 4.0° | 4.0° |
| CAS | CAZ | CBA | CAT | 4.4° | 0.0° |
