5FW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| CAG | CAJ | sing | 1.53Å | 1.52Å | |
| CAG | NAD | sing | 1.47Å | 1.48Å | |
| NAD | CAF | sing | 1.47Å | 1.48Å | |
| CAF | CAE | sing | 1.53Å | 1.54Å | |
| CAE | OAA | sing | 1.43Å | 1.44Å | |
| CAE | CAH | sing | 1.51Å | 1.54Å | |
| CAH | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | OAC | sing | 1.36Å | 1.36Å | |
| CAO | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | OAB | sing | 1.36Å | 1.37Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI3 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| NAD | HAD | sing | 1.01Å | 1.00Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAG | CAJ | 108.9° | 109.5° |
| CAI | CAG | NAD | 109.2° | 109.4° |
| CAG | CAI | HAI1 | 109.5° | 109.4° |
| CAG | CAI | HAI2 | 109.5° | 109.5° |
| CAG | CAI | HAI3 | 109.4° | 109.5° |
| CAI | CAG | HAG | 110.5° | 109.5° |
| CAJ | CAG | NAD | 110.8° | 109.4° |
| CAJ | CAG | HAG | 108.8° | 109.5° |
| CAG | CAJ | HAJ1 | 109.5° | 109.5° |
| CAG | CAJ | HAJ2 | 109.4° | 109.5° |
| CAG | CAJ | HAJ3 | 109.5° | 109.4° |
| CAG | NAD | CAF | 117.5° | 111.0° |
| NAD | CAG | HAG | 108.6° | 109.4° |
| CAG | NAD | HAD | 106.9° | 111.1° |
| NAD | CAF | CAE | 109.7° | 109.5° |
| CAF | NAD | HAD | 106.9° | 111.0° |
| NAD | CAF | HAF1 | 109.4° | 109.5° |
| NAD | CAF | HAF2 | 109.4° | 109.5° |
| CAF | CAE | OAA | 110.6° | 109.4° |
| CAF | CAE | CAH | 109.3° | 109.5° |
| CAE | CAF | HAF1 | 109.4° | 109.4° |
| CAE | CAF | HAF2 | 109.3° | 109.5° |
| CAF | CAE | HAE | 108.9° | 109.5° |
| OAA | CAE | CAH | 109.7° | 109.5° |
| OAA | CAE | HAE | 108.5° | 109.5° |
| CAE | OAA | HAA | 109.5° | 114.1° |
| CAE | CAH | CAK | 119.1° | 119.9° |
| CAE | CAH | CAL | 120.9° | 119.9° |
| CAH | CAE | HAE | 109.8° | 109.5° |
| CAK | CAH | CAL | 120.1° | 120.2° |
| CAH | CAK | CAM | 119.9° | 120.0° |
| CAH | CAK | HAK | 120.0° | 120.0° |
| CAH | CAL | CAN | 119.9° | 120.2° |
| CAH | CAL | HAL | 120.1° | 120.0° |
| CAK | CAM | CAO | 120.1° | 119.8° |
| CAK | CAM | OAB | 119.9° | 120.1° |
| CAM | CAK | HAK | 120.0° | 119.9° |
| CAL | CAN | CAO | 119.6° | 120.0° |
| CAN | CAL | HAL | 120.1° | 119.9° |
| CAL | CAN | HAN | 120.2° | 120.0° |
| CAN | CAO | OAC | 120.6° | 120.0° |
| CAN | CAO | CAM | 120.5° | 119.9° |
| CAO | CAN | HAN | 120.2° | 120.0° |
| OAC | CAO | CAM | 118.9° | 120.1° |
| CAO | OAC | HAC | 109.5° | 114.0° |
| CAO | CAM | OAB | 120.0° | 120.0° |
| CAM | OAB | HAB | 109.5° | 114.0° |
| HAI1 | CAI | HAI2 | 109.5° | 109.4° |
| HAI1 | CAI | HAI3 | 109.4° | 109.5° |
| HAI2 | CAI | HAI3 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ3 | 109.5° | 109.5° |
| HAJ2 | CAJ | HAJ3 | 109.5° | 109.5° |
| HAF1 | CAF | HAF2 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAG | CAJ | NAD | 120.1° | 120.0° |
| CAI | CAG | CAJ | HAG | 120.5° | 120.1° |
| CAI | CAG | NAD | HAG | 120.5° | 120.0° |
| CAI | CAG | NAD | CAF | 163.9° | 155.0° |
| CAG | CAI | HAI1 | HAI2 | 120.0° | 120.0° |
| CAG | CAI | HAI1 | HAI3 | 120.0° | 120.0° |
| CAG | CAI | HAI2 | HAI3 | 120.0° | 120.1° |
| CAI | CAG | CAJ | HAJ1 | 97.5° | 59.9° |
| CAI | CAG | CAJ | HAJ2 | 22.5° | 180.0° |
| CAI | CAG | CAJ | HAJ3 | 142.5° | 60.0° |
| CAI | CAG | NAD | HAD | 43.9° | 81.0° |
| CAJ | CAG | NAD | HAG | 119.5° | 120.0° |
| CAJ | CAG | NAD | CAF | 43.9° | 85.0° |
| CAJ | CAG | CAI | HAI1 | 98.5° | 60.0° |
| CAJ | CAG | CAI | HAI2 | 141.5° | 180.0° |
| CAJ | CAG | CAI | HAI3 | 21.5° | 59.9° |
| CAG | CAJ | HAJ1 | HAJ2 | 120.0° | 120.0° |
| CAG | CAJ | HAJ1 | HAJ3 | 120.0° | 120.0° |
| CAG | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAJ | CAG | NAD | HAD | 76.0° | 39.0° |
| CAG | NAD | CAF | HAD | 120.0° | 124.0° |
| CAG | NAD | CAF | CAE | 178.0° | 180.0° |
| NAD | CAG | CAI | HAI1 | 140.4° | 180.0° |
| NAD | CAG | CAI | HAI2 | 20.4° | 60.0° |
| NAD | CAG | CAI | HAI3 | 99.7° | 60.0° |
| NAD | CAG | CAJ | HAJ1 | 142.3° | 60.0° |
| NAD | CAG | CAJ | HAJ2 | 97.7° | 60.0° |
| NAD | CAG | CAJ | HAJ3 | 22.4° | 180.0° |
| CAG | NAD | CAF | HAF1 | 58.0° | 60.0° |
| CAG | NAD | CAF | HAF2 | 62.1° | 60.0° |
| NAD | CAF | CAE | HAF1 | 120.0° | 120.0° |
| NAD | CAF | CAE | HAF2 | 119.9° | 120.0° |
| NAD | CAF | CAE | OAA | 63.6° | 60.0° |
| NAD | CAF | CAE | CAH | 175.5° | 180.0° |
| CAF | NAD | CAG | HAG | 75.6° | 35.0° |
| NAD | CAF | HAF1 | HAF2 | 119.9° | 120.0° |
| NAD | CAF | CAE | HAE | 55.5° | 59.9° |
| CAF | CAE | OAA | CAH | 120.6° | 120.0° |
| CAF | CAE | OAA | HAE | 119.4° | 120.0° |
| CAF | CAE | CAH | HAE | 119.5° | 120.1° |
| CAF | CAE | CAH | CAK | 65.7° | 95.1° |
| CAF | CAE | CAH | CAL | 113.7° | 84.7° |
| CAE | CAF | NAD | HAD | 62.0° | 56.0° |
| CAE | CAF | HAF1 | HAF2 | 119.9° | 120.0° |
| CAF | CAE | OAA | HAA | 66.2° | 60.0° |
| OAA | CAE | CAH | HAE | 119.2° | 120.0° |
| OAA | CAE | CAH | CAK | 172.9° | 145.0° |
| OAA | CAE | CAH | CAL | 7.7° | 35.2° |
| OAA | CAE | CAF | HAF1 | 176.4° | 180.0° |
| OAA | CAE | CAF | HAF2 | 56.3° | 60.0° |
| CAE | CAH | CAK | CAL | 179.4° | 179.8° |
| CAE | CAH | CAK | CAM | 179.3° | 180.0° |
| CAE | CAH | CAL | CAN | 179.2° | 180.0° |
| CAH | CAE | CAF | HAF1 | 55.5° | 60.0° |
| CAH | CAE | CAF | HAF2 | 64.6° | 60.0° |
| CAH | CAE | OAA | HAA | 173.2° | 59.9° |
| CAE | CAH | CAK | HAK | 0.7° | 0.0° |
| CAE | CAH | CAL | HAL | 0.8° | 0.0° |
| CAH | CAK | CAM | HAK | 180.0° | 180.0° |
| CAK | CAH | CAL | CAN | 0.2° | 0.3° |
| CAH | CAK | CAM | CAO | 0.2° | 0.0° |
| CAH | CAK | CAM | OAB | 179.6° | 180.0° |
| CAK | CAH | CAE | HAE | 53.8° | 25.0° |
| CAK | CAH | CAL | HAL | 179.8° | 179.8° |
| CAL | CAH | CAK | CAM | 0.1° | 0.3° |
| CAH | CAL | CAN | HAL | 180.0° | 180.0° |
| CAH | CAL | CAN | CAO | 0.1° | 0.0° |
| CAL | CAH | CAE | HAE | 126.9° | 155.3° |
| CAL | CAH | CAK | HAK | 179.9° | 179.7° |
| CAH | CAL | CAN | HAN | 179.9° | 180.0° |
| CAK | CAM | CAO | CAN | 0.5° | 0.2° |
| CAK | CAM | CAO | OAC | 179.7° | 180.0° |
| CAK | CAM | CAO | OAB | 179.8° | 180.0° |
| CAK | CAM | OAB | HAB | 179.4° | 90.0° |
| CAL | CAN | CAO | HAN | 180.0° | 180.0° |
| CAL | CAN | CAO | OAC | 179.6° | 180.0° |
| CAL | CAN | CAO | CAM | 0.4° | 0.2° |
| CAN | CAO | OAC | CAM | 179.3° | 179.7° |
| CAN | CAO | CAM | OAB | 179.3° | 179.7° |
| CAO | CAN | CAL | HAL | 179.9° | 180.0° |
| CAN | CAO | OAC | HAC | 21.5° | 90.0° |
| OAC | CAO | CAM | OAB | 0.1° | 0.0° |
| OAC | CAO | CAN | HAN | 0.4° | 0.0° |
| CAO | CAM | CAK | HAK | 179.8° | 180.0° |
| CAM | CAO | CAN | HAN | 179.6° | 179.7° |
| CAM | CAO | OAC | HAC | 157.7° | 90.2° |
| CAO | CAM | OAB | HAB | 0.4° | 90.0° |
| OAB | CAM | CAK | HAK | 0.4° | 0.0° |
| HAI1 | CAI | HAI2 | HAI3 | 120.0° | 120.0° |
| HAI1 | CAI | CAG | HAG | 21.0° | 60.0° |
| HAI2 | CAI | CAG | HAG | 99.0° | 59.9° |
| HAI3 | CAI | CAG | HAG | 141.0° | 180.0° |
| HAG | CAG | CAJ | HAJ1 | 23.0° | 180.0° |
| HAG | CAG | CAJ | HAJ2 | 143.0° | 59.9° |
| HAG | CAG | CAJ | HAJ3 | 97.0° | 60.1° |
| HAG | CAG | NAD | HAD | 164.5° | 159.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| HAD | NAD | CAF | HAF1 | 178.0° | 176.0° |
| HAD | NAD | CAF | HAF2 | 57.9° | 64.0° |
| HAF1 | CAF | CAE | HAE | 64.5° | 60.0° |
| HAF2 | CAF | CAE | HAE | 175.4° | 180.0° |
| HAE | CAE | OAA | HAA | 53.2° | 180.0° |
| HAL | CAL | CAN | HAN | 0.1° | 0.1° |
