4FU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C14 | sing | 1.53Å | 1.52Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | sing | 1.34Å | 1.03Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | HAI | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | HAG | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | HAL | sing | 1.09Å | 1.10Å | |
| C13 | HAK | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C11 | C12 | 109.9° | 109.5° |
| C11 | C9 | C8 | 109.7° | 109.5° |
| C11 | C9 | H9 | 109.4° | 109.5° |
| C11 | C9 | HAI | 109.4° | 109.5° |
| C9 | C11 | H112 | 109.3° | 109.5° |
| C9 | C11 | H111 | 109.3° | 109.5° |
| C11 | C12 | C13 | 109.4° | 109.5° |
| C12 | C11 | H112 | 109.4° | 109.4° |
| C12 | C11 | H111 | 109.4° | 109.5° |
| C11 | C12 | HAG | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C9 | C8 | C7 | 110.1° | 109.5° |
| C9 | C8 | C14 | 110.9° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| C8 | C9 | H9 | 109.4° | 109.5° |
| C8 | C9 | HAI | 109.4° | 109.5° |
| C12 | C13 | C14 | 109.9° | 109.5° |
| C13 | C12 | HAG | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.5° | 109.5° |
| C12 | C13 | HAL | 109.4° | 109.5° |
| C12 | C13 | HAK | 109.4° | 109.5° |
| O | C | C14 | 120.7° | 120.0° |
| O | C | OXT | 119.7° | 120.0° |
| C7 | C8 | C14 | 109.1° | 109.5° |
| C8 | C7 | O7 | 120.2° | 120.0° |
| C8 | C7 | O1 | 119.9° | 120.0° |
| C7 | C8 | H8 | 108.9° | 109.5° |
| C8 | C14 | C | 110.9° | 109.5° |
| C8 | C14 | C13 | 109.2° | 109.4° |
| C14 | C8 | H8 | 109.0° | 109.4° |
| C8 | C14 | H14 | 109.0° | 109.5° |
| O7 | C7 | O1 | 119.9° | 120.0° |
| C | C14 | C13 | 109.6° | 109.5° |
| C | C14 | H14 | 108.9° | 109.5° |
| C14 | C | OXT | 119.7° | 120.0° |
| C14 | C13 | HAL | 109.3° | 109.5° |
| C14 | C13 | HAK | 109.4° | 109.4° |
| C13 | C14 | H14 | 109.0° | 109.5° |
| C7 | O1 | H1 | 109.5° | 117.1° |
| H9 | C9 | HAI | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| HAG | C12 | H12 | 109.5° | 109.4° |
| HAL | C13 | HAK | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C11 | C12 | H112 | 120.1° | 120.0° |
| C9 | C11 | C12 | H111 | 120.1° | 120.1° |
| C11 | C9 | C8 | H9 | 120.0° | 120.0° |
| C11 | C9 | C8 | HAI | 120.0° | 120.0° |
| C9 | C11 | C12 | C13 | 59.8° | 60.0° |
| C11 | C9 | C8 | C7 | 178.7° | 60.0° |
| C11 | C9 | C8 | C14 | 57.9° | 60.0° |
| C11 | C9 | C8 | H8 | 62.0° | 180.0° |
| C11 | C9 | H9 | HAI | 119.9° | 120.0° |
| C9 | C11 | H112 | H111 | 119.7° | 120.0° |
| C9 | C11 | C12 | HAG | 60.1° | 180.0° |
| C9 | C11 | C12 | H12 | 179.8° | 60.0° |
| C12 | C11 | C9 | C8 | 58.3° | 60.0° |
| C11 | C12 | C13 | HAG | 120.0° | 120.1° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 60.5° | 60.0° |
| C12 | C11 | C9 | H9 | 178.4° | 180.0° |
| C12 | C11 | C9 | HAI | 61.7° | 60.1° |
| C12 | C11 | H112 | H111 | 119.8° | 120.0° |
| C11 | C12 | HAG | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | HAL | 179.5° | 60.0° |
| C11 | C12 | C13 | HAK | 59.6° | 179.9° |
| C9 | C8 | C7 | C14 | 121.9° | 120.0° |
| C9 | C8 | C7 | H8 | 119.3° | 120.0° |
| C9 | C8 | C14 | H8 | 119.9° | 120.0° |
| C9 | C8 | C7 | O7 | 120.2° | 120.0° |
| C9 | C8 | C14 | C | 62.6° | 180.0° |
| C9 | C8 | C14 | C13 | 58.3° | 60.0° |
| C9 | C8 | C7 | O1 | 59.8° | 59.7° |
| C8 | C9 | H9 | HAI | 119.9° | 120.0° |
| C8 | C9 | C11 | H112 | 178.4° | 60.0° |
| C8 | C9 | C11 | H111 | 61.7° | 180.0° |
| C9 | C8 | C14 | H14 | 177.4° | 60.0° |
| C12 | C13 | C14 | C8 | 59.4° | 60.0° |
| C12 | C13 | C14 | C | 62.3° | 180.0° |
| C12 | C13 | C14 | HAL | 120.1° | 120.0° |
| C12 | C13 | C14 | HAK | 120.0° | 120.0° |
| C13 | C12 | C11 | H112 | 179.9° | 60.0° |
| C13 | C12 | C11 | H111 | 60.2° | 180.0° |
| C13 | C12 | HAG | H12 | 120.0° | 120.0° |
| C12 | C13 | HAL | HAK | 119.8° | 120.0° |
| C12 | C13 | C14 | H14 | 178.5° | 60.0° |
| O | C | C14 | C8 | 36.7° | 0.0° |
| O | C | C14 | OXT | 180.0° | 180.0° |
| O | C | C14 | C13 | 84.1° | 120.0° |
| O | C | C14 | H14 | 156.7° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C7 | C8 | C14 | H8 | 118.8° | 120.0° |
| C8 | C7 | O7 | O1 | 180.0° | 179.7° |
| C7 | C8 | C14 | C | 58.7° | 60.0° |
| C7 | C8 | C14 | C13 | 179.7° | 60.0° |
| C7 | C8 | C9 | H9 | 61.2° | 60.0° |
| C7 | C8 | C9 | HAI | 58.7° | 180.0° |
| C7 | C8 | C14 | H14 | 61.2° | 180.0° |
| C8 | C7 | O1 | H1 | 180.0° | 179.7° |
| C14 | C8 | C7 | O7 | 1.7° | 0.0° |
| C8 | C14 | C | C13 | 120.7° | 120.0° |
| C8 | C14 | C | H14 | 120.0° | 120.0° |
| C8 | C14 | C13 | H14 | 119.1° | 120.0° |
| C14 | C8 | C7 | O1 | 178.3° | 179.8° |
| C14 | C8 | C9 | H9 | 178.0° | 180.0° |
| C14 | C8 | C9 | HAI | 62.1° | 60.0° |
| C8 | C14 | C13 | HAL | 179.5° | 60.0° |
| C8 | C14 | C13 | HAK | 60.6° | 180.0° |
| C8 | C14 | C | OXT | 143.3° | 180.0° |
| O7 | C7 | C8 | H8 | 120.5° | 120.0° |
| O7 | C7 | O1 | H1 | 0.0° | 0.0° |
| C | C14 | C13 | H14 | 119.2° | 120.0° |
| C | C14 | C8 | H8 | 177.5° | 60.0° |
| C | C14 | C13 | HAL | 57.8° | 60.0° |
| C | C14 | C13 | HAK | 177.6° | 60.0° |
| C14 | C | OXT | HXT | 180.0° | 180.0° |
| C13 | C14 | C8 | H8 | 61.5° | 180.0° |
| C14 | C13 | C12 | HAG | 59.5° | 180.0° |
| C14 | C13 | C12 | H12 | 179.5° | 60.0° |
| C14 | C13 | HAL | HAK | 119.8° | 120.0° |
| C13 | C14 | C | OXT | 95.9° | 60.0° |
| O1 | C7 | C8 | H8 | 59.5° | 60.3° |
| H8 | C8 | C9 | H9 | 58.1° | 60.0° |
| H8 | C8 | C9 | HAI | 178.0° | 59.9° |
| H8 | C8 | C14 | H14 | 57.5° | 60.1° |
| H9 | C9 | C11 | H112 | 61.5° | 60.1° |
| H9 | C9 | C11 | H111 | 58.3° | 60.0° |
| HAI | C9 | C11 | H112 | 58.4° | 180.0° |
| HAI | C9 | C11 | H111 | 178.2° | 60.0° |
| H112 | C11 | C12 | HAG | 59.9° | 60.1° |
| H112 | C11 | C12 | H12 | 60.1° | NaN° |
| H111 | C11 | C12 | HAG | 179.8° | 59.9° |
| H111 | C11 | C12 | H12 | 59.8° | 60.0° |
| HAG | C12 | C13 | HAL | 60.6° | 60.0° |
| HAG | C12 | C13 | HAK | 179.5° | 60.0° |
| H12 | C12 | C13 | HAL | 59.5° | 180.0° |
| H12 | C12 | C13 | HAK | 60.4° | 60.0° |
| HAL | C13 | C14 | H14 | 61.4° | 180.0° |
| HAK | C13 | C14 | H14 | 58.5° | 60.0° |
| H14 | C14 | C | OXT | 23.3° | 60.0° |
