1FQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAR | sing | 1.35Å | 1.24Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAD | CAR | doub | 1.22Å | 1.24Å | |
| FAF | CAU | sing | 1.35Å | 1.37Å | |
| CAG | CAH | doub | 1.36Å | 1.53Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAV | sing | 1.42Å | 1.35Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAQ | sing | 1.47Å | 1.47Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAU | doub | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.43Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAM | doub | 1.38Å | 1.43Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAW | doub | 1.40Å | 1.45Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAV | doub | 1.38Å | 1.34Å | Aromatic |
| CAO | CAX | sing | 1.41Å | 1.37Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| NAP | CAN | sing | 1.34Å | 1.34Å | Aromatic |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAQ | OAA | doub | 1.22Å | 1.21Å | |
| CAQ | CAG | sing | 1.41Å | 1.53Å | |
| CAR | CAS | sing | 1.48Å | 1.57Å | |
| CAS | OAE | sing | 1.36Å | 1.37Å | |
| CAS | CAI | doub | 1.35Å | 1.51Å | |
| CAT | OAC | doub | 1.22Å | 1.28Å | |
| CAU | CAK | sing | 1.39Å | 1.42Å | Aromatic |
| CAV | NAP | sing | 1.38Å | 1.32Å | Aromatic |
| CAW | CAM | sing | 1.40Å | 1.45Å | Aromatic |
| CAW | CAT | sing | 1.48Å | 1.49Å | |
| CAX | CAN | doub | 1.39Å | 1.34Å | Aromatic |
| CAX | CAT | sing | 1.47Å | 1.39Å | |
| OAE | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAR | OAD | 113.8° | 120.0° |
| OAB | CAR | CAS | 121.6° | 120.0° |
| OAD | CAR | CAS | 124.6° | 119.9° |
| FAF | CAU | CAJ | 118.3° | 119.8° |
| FAF | CAU | CAK | 119.2° | 119.9° |
| CAH | CAG | HAG | 117.3° | 120.0° |
| CAG | CAH | CAV | 119.7° | 120.0° |
| CAG | CAH | HAH | 120.2° | 120.0° |
| CAH | CAG | CAQ | 125.5° | 120.0° |
| HAG | CAG | CAQ | 117.3° | 119.9° |
| CAV | CAH | HAH | 120.1° | 120.0° |
| CAH | CAV | CAO | 132.5° | 126.0° |
| CAH | CAV | NAP | 123.5° | 125.9° |
| CAQ | CAI | HAI | 119.1° | 120.0° |
| CAI | CAQ | OAA | 119.9° | 120.0° |
| CAI | CAQ | CAG | 113.5° | 120.0° |
| CAQ | CAI | CAS | 121.8° | 120.0° |
| HAI | CAI | CAS | 119.1° | 120.0° |
| CAU | CAJ | CAL | 118.2° | 120.1° |
| CAU | CAJ | HAJ | 120.9° | 120.0° |
| CAJ | CAU | CAK | 122.5° | 120.3° |
| CAL | CAJ | HAJ | 120.9° | 119.9° |
| CAJ | CAL | CAW | 121.7° | 119.9° |
| CAJ | CAL | HAL | 119.1° | 120.1° |
| CAM | CAK | HAK | 120.5° | 119.9° |
| CAK | CAM | HAM | 119.6° | 120.1° |
| CAM | CAK | CAU | 119.0° | 120.1° |
| CAK | CAM | CAW | 120.8° | 119.8° |
| HAK | CAK | CAU | 120.5° | 120.0° |
| CAW | CAL | HAL | 119.1° | 120.1° |
| CAL | CAW | CAM | 117.8° | 119.8° |
| CAL | CAW | CAT | 121.6° | 120.1° |
| HAM | CAM | CAW | 119.6° | 120.1° |
| HAN | CAN | NAP | 127.4° | 125.7° |
| HAN | CAN | CAX | 127.4° | 125.7° |
| CAV | CAO | CAX | 103.1° | 106.8° |
| CAV | CAO | HAO | 128.4° | 126.6° |
| CAO | CAV | NAP | 104.0° | 108.1° |
| CAX | CAO | HAO | 128.5° | 126.6° |
| CAO | CAX | CAN | 107.4° | 107.2° |
| CAO | CAX | CAT | 127.6° | 126.4° |
| CAN | NAP | HNAP | 126.4° | 125.3° |
| CAN | NAP | CAV | 107.3° | 109.2° |
| NAP | CAN | CAX | 105.2° | 108.6° |
| HNAP | NAP | CAV | 126.3° | 125.4° |
| OAA | CAQ | CAG | 126.3° | 120.0° |
| CAR | CAS | OAE | 117.8° | 120.0° |
| CAR | CAS | CAI | 114.5° | 120.1° |
| OAE | CAS | CAI | 116.0° | 119.9° |
| CAS | OAE | H12 | 109.5° | 114.0° |
| OAC | CAT | CAW | 122.3° | 120.0° |
| OAC | CAT | CAX | 118.1° | 120.0° |
| CAM | CAW | CAT | 120.6° | 120.1° |
| CAW | CAT | CAX | 119.5° | 120.0° |
| CAN | CAX | CAT | 125.0° | 126.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAR | OAD | CAS | 179.7° | 179.9° |
| OAB | CAR | CAS | OAE | 37.7° | 0.0° |
| OAB | CAR | CAS | CAI | 179.4° | 179.9° |
| HOAB | OAB | CAR | OAD | 0.0° | 0.1° |
| HOAB | OAB | CAR | CAS | 179.7° | 180.0° |
| OAD | CAR | CAS | OAE | 141.9° | 179.9° |
| OAD | CAR | CAS | CAI | 0.2° | 0.0° |
| FAF | CAU | CAJ | CAK | 180.0° | 180.0° |
| FAF | CAU | CAJ | CAL | 180.0° | 180.0° |
| FAF | CAU | CAJ | HAJ | 0.0° | 0.2° |
| FAF | CAU | CAK | CAM | 180.0° | 180.0° |
| FAF | CAU | CAK | HAK | 0.1° | 0.0° |
| CAH | CAG | HAG | CAQ | 180.0° | 180.0° |
| CAG | CAH | CAV | HAH | 180.0° | 180.0° |
| CAH | CAG | CAQ | CAI | 141.0° | 180.0° |
| CAG | CAH | CAV | CAO | 0.7° | 180.0° |
| CAH | CAG | CAQ | OAA | 45.2° | 0.0° |
| CAG | CAH | CAV | NAP | 179.2° | 0.0° |
| HAG | CAG | CAH | CAV | 9.1° | 0.0° |
| HAG | CAG | CAH | HAH | 170.9° | 180.0° |
| HAG | CAG | CAQ | CAI | 39.0° | 0.0° |
| HAG | CAG | CAQ | OAA | 134.8° | 180.0° |
| CAH | CAV | CAO | NAP | 178.8° | 180.0° |
| CAH | CAV | CAO | CAX | 143.1° | 179.7° |
| CAH | CAV | CAO | HAO | 36.9° | 0.0° |
| CAH | CAV | NAP | CAN | 145.6° | 180.0° |
| CAH | CAV | NAP | HNAP | 34.4° | 0.0° |
| CAV | CAH | CAG | CAQ | 170.9° | 180.0° |
| HAH | CAH | CAV | CAO | 179.3° | 0.0° |
| HAH | CAH | CAG | CAQ | 9.1° | 0.0° |
| HAH | CAH | CAV | NAP | 0.8° | 180.0° |
| CAQ | CAI | HAI | CAS | 180.0° | 180.0° |
| CAI | CAQ | OAA | CAG | 173.5° | 180.0° |
| CAQ | CAI | CAS | CAR | 161.5° | 164.0° |
| CAQ | CAI | CAS | OAE | 19.1° | 16.1° |
| HAI | CAI | CAQ | OAA | 172.4° | 173.5° |
| HAI | CAI | CAQ | CAG | 1.8° | 6.5° |
| HAI | CAI | CAS | CAR | 18.5° | 16.0° |
| HAI | CAI | CAS | OAE | 160.9° | 164.0° |
| CAU | CAJ | CAL | HAJ | 180.0° | 179.7° |
| CAJ | CAU | CAK | CAM | 0.1° | 0.0° |
| CAJ | CAU | CAK | HAK | 179.9° | 180.0° |
| CAU | CAJ | CAL | CAW | 0.0° | 0.0° |
| CAU | CAJ | CAL | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAW | HAL | 180.0° | 180.0° |
| CAL | CAJ | CAU | CAK | 0.0° | 0.0° |
| CAJ | CAL | CAW | CAM | 0.0° | 0.0° |
| CAJ | CAL | CAW | CAT | 179.9° | 180.0° |
| HAJ | CAJ | CAL | CAW | 180.0° | 179.7° |
| HAJ | CAJ | CAL | HAL | 0.0° | 0.3° |
| HAJ | CAJ | CAU | CAK | 180.0° | 179.7° |
| CAM | CAK | HAK | CAU | 180.0° | 180.0° |
| CAK | CAM | CAW | CAL | 0.0° | 0.0° |
| CAK | CAM | HAM | CAW | 180.0° | 180.0° |
| CAK | CAM | CAW | CAT | 179.9° | 180.0° |
| HAK | CAK | CAM | HAM | 0.1° | 0.0° |
| HAK | CAK | CAM | CAW | 179.9° | 180.0° |
| CAL | CAW | CAM | HAM | 180.0° | 180.0° |
| CAL | CAW | CAT | OAC | 174.9° | 150.1° |
| CAL | CAW | CAM | CAT | 179.9° | 179.9° |
| CAL | CAW | CAT | CAX | 3.1° | 29.9° |
| HAL | CAL | CAW | CAM | 180.0° | 180.0° |
| HAL | CAL | CAW | CAT | 0.1° | 0.0° |
| HAM | CAM | CAK | CAU | 179.9° | 180.0° |
| HAM | CAM | CAW | CAT | 0.2° | 0.1° |
| HAN | CAN | CAX | CAO | 174.2° | 179.8° |
| HAN | CAN | NAP | CAX | 180.0° | 179.8° |
| HAN | CAN | NAP | HNAP | 16.9° | 0.1° |
| HAN | CAN | NAP | CAV | 163.1° | 180.0° |
| HAN | CAN | CAX | CAT | 6.4° | 0.2° |
| CAV | CAO | CAX | HAO | 180.0° | 179.7° |
| CAO | CAV | NAP | CAN | 33.3° | 0.1° |
| CAO | CAV | NAP | HNAP | 146.7° | 180.0° |
| CAV | CAO | CAX | CAN | 25.8° | 0.4° |
| CAV | CAO | CAX | CAT | 153.6° | 180.0° |
| CAO | CAX | CAN | NAP | 5.8° | 0.4° |
| CAO | CAX | CAT | OAC | 109.9° | 7.1° |
| CAX | CAO | CAV | NAP | 35.7° | 0.3° |
| CAO | CAX | CAT | CAW | 72.0° | 172.9° |
| CAO | CAX | CAN | CAT | 179.4° | 179.6° |
| HAO | CAO | CAV | NAP | 144.3° | 180.0° |
| HAO | CAO | CAX | CAN | 154.2° | 179.9° |
| HAO | CAO | CAX | CAT | 26.4° | 0.3° |
| CAN | NAP | HNAP | CAV | 180.0° | 179.9° |
| NAP | CAN | CAX | CAT | 173.6° | 180.0° |
| HNAP | NAP | CAN | CAX | 163.1° | 179.7° |
| OAA | CAQ | CAI | CAS | 7.6° | 6.5° |
| CAG | CAQ | CAI | CAS | 178.2° | 173.5° |
| CAR | CAS | OAE | CAI | 141.2° | 180.0° |
| CAR | CAS | OAE | H12 | 160.8° | 174.4° |
| CAI | CAS | OAE | H12 | 19.7° | 5.5° |
| OAC | CAT | CAW | CAM | 5.0° | 30.0° |
| OAC | CAT | CAW | CAX | 178.0° | 180.0° |
| OAC | CAT | CAX | CAN | 69.4° | 172.4° |
| CAU | CAK | CAM | CAW | 0.0° | 0.0° |
| CAV | NAP | CAN | CAX | 16.9° | 0.2° |
| CAM | CAW | CAT | CAX | 177.0° | 150.0° |
| CAW | CAT | CAX | CAN | 108.7° | 7.6° |
