38U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C2 | doub | 1.22Å | 1.20Å | |
| C2 | C50 | sing | 1.46Å | 1.33Å | |
| C50 | C51 | sing | 1.51Å | 1.36Å | |
| C50 | C58 | doub | 1.35Å | 1.31Å | |
| C51 | C52 | sing | 1.51Å | 1.38Å | |
| C59 | C58 | sing | 1.51Å | 1.51Å | |
| C58 | C57 | sing | 1.47Å | 1.33Å | |
| C52 | C57 | doub | 1.40Å | 1.31Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.32Å | Aromatic |
| C57 | C56 | sing | 1.40Å | 1.32Å | Aromatic |
| C53 | C54 | doub | 1.39Å | 1.37Å | Aromatic |
| C56 | C55 | doub | 1.38Å | 1.37Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.36Å | Aromatic |
| C59 | H4 | sing | 1.09Å | 1.10Å | |
| C59 | H5 | sing | 1.09Å | 1.10Å | |
| C59 | H6 | sing | 1.09Å | 1.10Å | |
| C56 | H7 | sing | 1.08Å | 1.08Å | |
| C55 | H8 | sing | 1.08Å | 1.08Å | |
| C54 | H9 | sing | 1.08Å | 1.08Å | |
| C53 | H10 | sing | 1.08Å | 1.08Å | |
| C51 | H11 | sing | 1.09Å | 1.10Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | OXT | sing | 1.35Å | 139.26Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C2 | C50 | 120.7° | 120.0° |
| O3 | C2 | OXT | 151.4° | 120.0° |
| C2 | C50 | C51 | 125.9° | 126.0° |
| C2 | C50 | C58 | 126.8° | 126.0° |
| C50 | C2 | OXT | 87.8° | 120.0° |
| C51 | C50 | C58 | 107.2° | 108.0° |
| C50 | C51 | C52 | 106.0° | 105.5° |
| C50 | C51 | H11 | 110.3° | 110.5° |
| C50 | C51 | H12 | 110.3° | 110.1° |
| C50 | C58 | C59 | 125.6° | 124.6° |
| C50 | C58 | C57 | 110.5° | 110.8° |
| C51 | C52 | C57 | 108.4° | 106.6° |
| C51 | C52 | C53 | 131.6° | 132.9° |
| C52 | C51 | H11 | 110.3° | 110.2° |
| C52 | C51 | H12 | 110.3° | 110.2° |
| C59 | C58 | C57 | 123.9° | 124.6° |
| C58 | C59 | H4 | 109.5° | 109.5° |
| C58 | C59 | H5 | 109.5° | 109.5° |
| C58 | C59 | H6 | 109.5° | 109.4° |
| C58 | C57 | C52 | 107.9° | 109.1° |
| C58 | C57 | C56 | 132.8° | 131.7° |
| C57 | C52 | C53 | 120.0° | 120.4° |
| C52 | C57 | C56 | 119.2° | 119.2° |
| C52 | C53 | C54 | 123.0° | 120.0° |
| C52 | C53 | H10 | 118.5° | 120.1° |
| C57 | C56 | C55 | 123.3° | 119.9° |
| C57 | C56 | H7 | 118.3° | 120.1° |
| C53 | C54 | C55 | 117.1° | 120.2° |
| C53 | C54 | H9 | 121.5° | 119.9° |
| C54 | C53 | H10 | 118.5° | 120.0° |
| C56 | C55 | C54 | 117.5° | 120.3° |
| C55 | C56 | H7 | 118.4° | 120.1° |
| C56 | C55 | H8 | 121.3° | 119.8° |
| C54 | C55 | H8 | 121.2° | 119.9° |
| C55 | C54 | H9 | 121.5° | 119.9° |
| H4 | C59 | H5 | 109.5° | 109.4° |
| H4 | C59 | H6 | 109.4° | 109.5° |
| H5 | C59 | H6 | 109.5° | 109.5° |
| H11 | C51 | H12 | 109.5° | 110.2° |
| C2 | OXT | HXT | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C2 | C50 | OXT | 178.1° | 180.0° |
| O3 | C2 | C50 | C51 | 175.7° | 180.0° |
| O3 | C2 | C50 | C58 | 4.6° | 0.4° |
| O3 | C2 | OXT | HXT | 90.0° | 0.0° |
| C2 | C50 | C51 | C58 | 179.8° | 179.7° |
| C2 | C50 | C51 | C52 | 178.9° | 180.0° |
| C2 | C50 | C58 | C59 | 3.2° | 0.1° |
| C2 | C50 | C58 | C57 | 178.9° | 180.0° |
| C2 | C50 | C51 | H11 | 61.7° | 60.9° |
| C2 | C50 | C51 | H12 | 59.4° | 61.1° |
| C50 | C2 | OXT | HXT | 90.0° | 180.0° |
| C50 | C51 | C52 | H11 | 119.4° | 119.3° |
| C50 | C51 | C52 | H12 | 119.4° | 118.8° |
| C51 | C50 | C58 | C59 | 177.0° | 179.8° |
| C51 | C50 | C58 | C57 | 0.9° | 0.4° |
| C50 | C51 | C52 | C57 | 0.6° | 0.2° |
| C50 | C51 | C52 | C53 | 179.4° | 179.7° |
| C50 | C51 | H11 | H12 | 121.6° | 121.9° |
| C51 | C50 | C2 | OXT | 2.4° | 0.0° |
| C58 | C50 | C51 | C52 | 0.9° | 0.4° |
| C50 | C58 | C59 | C57 | 177.6° | 179.8° |
| C50 | C58 | C57 | C52 | 0.5° | 0.2° |
| C50 | C58 | C57 | C56 | 177.0° | 179.7° |
| C50 | C58 | C59 | H4 | 180.0° | 90.3° |
| C50 | C58 | C59 | H5 | 60.0° | 29.7° |
| C50 | C58 | C59 | H6 | 60.0° | 149.8° |
| C58 | C50 | C51 | H11 | 118.6° | 118.7° |
| C58 | C50 | C51 | H12 | 120.3° | 119.3° |
| C58 | C50 | C2 | OXT | 177.4° | 179.6° |
| C51 | C52 | C57 | C58 | 0.1° | 0.0° |
| C51 | C52 | C57 | C53 | 180.0° | 179.9° |
| C51 | C52 | C57 | C56 | 178.0° | 179.9° |
| C51 | C52 | C53 | C54 | 179.8° | 180.0° |
| C51 | C52 | C53 | H10 | 0.2° | 0.1° |
| C52 | C51 | H11 | H12 | 121.6° | 121.9° |
| C59 | C58 | C57 | C52 | 177.5° | 180.0° |
| C59 | C58 | C57 | C56 | 5.0° | 0.1° |
| C58 | C59 | H4 | H5 | 120.0° | 120.0° |
| C58 | C59 | H4 | H6 | 120.0° | 120.0° |
| C58 | C59 | H5 | H6 | 120.0° | 120.0° |
| C58 | C57 | C52 | C56 | 177.9° | 179.9° |
| C58 | C57 | C52 | C53 | 179.9° | 179.9° |
| C58 | C57 | C56 | C55 | 179.6° | 180.0° |
| C57 | C58 | C59 | H4 | 2.3° | 89.9° |
| C57 | C58 | C59 | H5 | 122.4° | 150.1° |
| C57 | C58 | C59 | H6 | 117.6° | 30.0° |
| C58 | C57 | C56 | H7 | 0.4° | 0.2° |
| C57 | C52 | C53 | C54 | 0.2° | 0.1° |
| C52 | C57 | C56 | C55 | 2.3° | 0.1° |
| C52 | C57 | C56 | H7 | 177.7° | 179.9° |
| C57 | C52 | C53 | H10 | 179.8° | 180.0° |
| C57 | C52 | C51 | H11 | 118.8° | 119.0° |
| C57 | C52 | C51 | H12 | 120.1° | 119.1° |
| C53 | C52 | C57 | C56 | 2.0° | 0.0° |
| C52 | C53 | C54 | H10 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 1.3° | 0.1° |
| C52 | C53 | C54 | H9 | 178.7° | 180.0° |
| C53 | C52 | C51 | H11 | 61.2° | 61.1° |
| C53 | C52 | C51 | H12 | 59.9° | 60.8° |
| C57 | C56 | C55 | H7 | 180.0° | 179.8° |
| C57 | C56 | C55 | C54 | 0.7° | 0.1° |
| C57 | C56 | C55 | H8 | 179.2° | 180.0° |
| C53 | C54 | C55 | C56 | 1.0° | 0.0° |
| C53 | C54 | C55 | H9 | 180.0° | 179.9° |
| C53 | C54 | C55 | H8 | 179.0° | 179.9° |
| C56 | C55 | C54 | H8 | 180.0° | 179.9° |
| C56 | C55 | C54 | H9 | 179.0° | 179.9° |
| C54 | C55 | C56 | H7 | 179.3° | 179.9° |
| C55 | C54 | C53 | H10 | 178.7° | 180.0° |
| H4 | C59 | H5 | H6 | 120.0° | 120.0° |
| H7 | C56 | C55 | H8 | 0.7° | 0.1° |
| H8 | C55 | C54 | H9 | 1.0° | 0.0° |
| H9 | C54 | C53 | H10 | 1.3° | 0.1° |
