L5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| O1 | C | doub | 1.21Å | 1.25Å | |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.51Å | |
| C | O | sing | 1.35Å | 1.26Å | |
| C1 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H | sing | 1.08Å | 1.08Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.9° | 120.3° |
| C7 | C6 | C5 | 120.1° | 120.1° |
| C7 | C6 | H2 | 120.0° | 120.0° |
| C6 | C7 | H3 | 119.6° | 119.9° |
| C7 | C8 | C9 | 120.7° | 119.9° |
| C7 | C8 | C10 | 118.5° | 120.1° |
| C8 | C7 | H3 | 119.5° | 119.9° |
| C6 | C5 | C4 | 120.6° | 119.9° |
| C6 | C5 | H1 | 119.7° | 120.0° |
| C5 | C6 | H2 | 119.9° | 119.9° |
| C9 | C8 | C10 | 120.8° | 120.0° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H4 | 109.5° | 109.5° |
| C8 | C9 | H5 | 109.5° | 109.4° |
| C8 | C10 | C4 | 121.6° | 119.9° |
| C8 | C10 | H7 | 119.2° | 120.1° |
| C5 | C4 | C10 | 118.3° | 119.8° |
| C5 | C4 | C3 | 121.0° | 120.1° |
| C4 | C5 | H1 | 119.7° | 120.1° |
| C10 | C4 | C3 | 120.5° | 120.1° |
| C4 | C10 | H7 | 119.2° | 120.1° |
| O1 | C | C1 | 117.3° | 120.0° |
| O1 | C | O | 124.9° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C4 | C3 | C11 | 120.9° | 120.0° |
| C3 | C2 | C1 | 121.1° | 119.7° |
| C2 | C3 | C11 | 118.1° | 119.9° |
| C3 | C2 | H | 119.4° | 120.1° |
| C2 | C1 | C | 120.4° | 120.1° |
| C2 | C1 | C13 | 119.4° | 119.8° |
| C1 | C2 | H | 119.4° | 120.2° |
| C3 | C11 | C12 | 120.9° | 120.2° |
| C3 | C11 | H8 | 119.5° | 120.0° |
| C1 | C | O | 117.8° | 120.0° |
| C | C1 | C13 | 120.2° | 120.1° |
| C | O | H11 | 109.5° | 117.0° |
| C1 | C13 | C12 | 120.2° | 120.1° |
| C1 | C13 | H10 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.2° |
| C12 | C11 | H8 | 119.5° | 119.9° |
| C11 | C12 | H9 | 119.9° | 119.9° |
| C13 | C12 | H9 | 119.9° | 119.9° |
| C12 | C13 | H10 | 119.9° | 119.9° |
| H6 | C9 | H4 | 109.5° | 109.5° |
| H6 | C9 | H5 | 109.4° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H3 | 180.0° | 179.7° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.7° | 180.0° |
| C6 | C7 | C8 | C10 | 0.3° | 0.5° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.7° | 0.3° |
| C7 | C8 | C9 | C10 | 180.0° | 179.5° |
| C7 | C8 | C10 | C4 | 0.8° | 0.5° |
| C7 | C8 | C10 | H7 | 179.2° | 179.7° |
| C8 | C7 | C6 | H2 | 179.3° | 179.7° |
| C7 | C8 | C9 | H6 | 90.0° | 90.0° |
| C7 | C8 | C9 | H4 | 150.0° | 150.0° |
| C7 | C8 | C9 | H5 | 30.0° | 30.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C10 | 1.1° | 0.0° |
| C6 | C5 | C4 | C3 | 175.1° | 180.0° |
| C5 | C6 | C7 | H3 | 179.3° | 180.0° |
| C9 | C8 | C10 | C4 | 179.2° | 180.0° |
| C9 | C8 | C10 | H7 | 0.8° | 0.2° |
| C9 | C8 | C7 | H3 | 0.3° | 0.3° |
| C8 | C9 | H6 | H4 | 120.0° | 120.0° |
| C8 | C9 | H6 | H5 | 120.0° | 120.0° |
| C8 | C9 | H4 | H5 | 120.0° | 120.0° |
| C8 | C10 | C4 | C5 | 1.5° | 0.2° |
| C8 | C10 | C4 | H7 | 180.0° | 179.8° |
| C8 | C10 | C4 | C3 | 174.7° | 179.8° |
| C10 | C8 | C7 | H3 | 179.7° | 179.7° |
| C10 | C8 | C9 | H6 | 90.0° | 90.5° |
| C10 | C8 | C9 | H4 | 30.1° | 29.5° |
| C10 | C8 | C9 | H5 | 150.0° | 149.5° |
| C5 | C4 | C10 | C3 | 176.2° | 180.0° |
| C5 | C4 | C3 | C2 | 123.0° | 0.0° |
| C5 | C4 | C3 | C11 | 57.8° | 180.0° |
| C5 | C4 | C10 | H7 | 178.5° | 180.0° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C10 | C4 | C3 | C2 | 60.9° | 180.0° |
| C10 | C4 | C3 | C11 | 118.3° | 0.0° |
| C10 | C4 | C5 | H1 | 178.9° | 180.0° |
| O1 | C | C1 | C2 | 4.8° | 0.0° |
| O1 | C | C1 | O | 178.6° | 179.7° |
| O1 | C | C1 | C13 | 177.3° | 179.8° |
| O1 | C | O | H11 | 0.0° | 0.3° |
| C4 | C3 | C2 | C11 | 179.2° | 179.9° |
| C4 | C3 | C2 | C1 | 179.0° | 180.0° |
| C4 | C3 | C11 | C12 | 178.1° | 179.8° |
| C3 | C4 | C10 | H7 | 5.3° | 0.0° |
| C4 | C3 | C11 | H8 | 1.9° | 0.1° |
| C4 | C3 | C2 | H | 1.0° | 0.1° |
| C3 | C4 | C5 | H1 | 4.9° | 0.0° |
| C3 | C2 | C1 | H | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 177.2° | 180.0° |
| C3 | C2 | C1 | C13 | 0.7° | 0.2° |
| C2 | C3 | C11 | C12 | 1.1° | 0.2° |
| C2 | C3 | C11 | H8 | 178.9° | 179.9° |
| C1 | C2 | C3 | C11 | 0.2° | 0.0° |
| C2 | C1 | C | C13 | 177.9° | 179.8° |
| C2 | C1 | C | O | 173.8° | 179.8° |
| C2 | C1 | C13 | C12 | 0.7° | 0.2° |
| C2 | C1 | C13 | H10 | 179.3° | 179.8° |
| C3 | C11 | C12 | H8 | 180.0° | 179.9° |
| C3 | C11 | C12 | C13 | 1.1° | 0.2° |
| C3 | C11 | C12 | H9 | 178.8° | 179.8° |
| C11 | C3 | C2 | H | 179.8° | 180.0° |
| C | C1 | C13 | C12 | 177.2° | 180.0° |
| C1 | C | O | H11 | 178.5° | 179.9° |
| C | C1 | C13 | H10 | 2.8° | 0.0° |
| C | C1 | C2 | H | 2.8° | 0.0° |
| O | C | C1 | C13 | 4.1° | 0.0° |
| C1 | C13 | C12 | C11 | 0.2° | 0.0° |
| C1 | C13 | C12 | H10 | 180.0° | 180.0° |
| C1 | C13 | C12 | H9 | 179.8° | 180.0° |
| C13 | C1 | C2 | H | 179.3° | 179.7° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | H10 | 179.8° | 180.0° |
| C13 | C12 | C11 | H8 | 178.9° | 179.9° |
| H8 | C11 | C12 | H9 | 1.2° | 0.1° |
| H9 | C12 | C13 | H10 | 0.2° | 0.0° |
| H1 | C5 | C6 | H2 | 0.0° | 0.0° |
| H2 | C6 | C7 | H3 | 0.7° | 0.0° |
| H6 | C9 | H4 | H5 | 120.0° | 120.0° |
