7L4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C9 | O17 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.34Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.6° | 120.2° |
| C1 | C2 | C3 | 120.8° | 120.1° |
| C2 | C1 | H1 | 120.7° | 119.9° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C1 | C6 | C5 | 121.3° | 120.1° |
| C6 | C1 | H1 | 120.7° | 119.9° |
| C1 | C6 | H6 | 119.4° | 119.9° |
| C2 | C3 | C4 | 119.8° | 119.8° |
| C3 | C2 | H2 | 119.6° | 119.9° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.0° | 119.8° |
| C3 | C4 | C7 | 120.5° | 120.1° |
| C4 | C3 | H3 | 120.1° | 120.1° |
| C5 | C4 | C7 | 119.5° | 120.1° |
| C4 | C5 | C6 | 119.5° | 119.9° |
| C4 | C5 | H5 | 120.2° | 120.1° |
| C4 | C7 | C8 | 118.8° | 119.2° |
| C4 | C7 | N16 | 119.1° | 119.2° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C8 | C7 | N16 | 122.1° | 121.6° |
| C7 | C8 | C9 | 118.6° | 119.8° |
| C7 | C8 | H8 | 120.7° | 120.1° |
| C7 | N16 | C15 | 121.0° | 121.4° |
| C8 | C9 | C10 | 119.2° | 118.2° |
| C8 | C9 | O17 | 120.6° | 120.9° |
| C9 | C8 | H8 | 120.7° | 120.2° |
| C10 | C9 | O17 | 120.2° | 120.9° |
| C9 | C10 | C11 | 121.0° | 121.3° |
| C9 | C10 | C15 | 119.5° | 119.0° |
| C9 | O17 | H17 | 109.5° | 113.9° |
| C11 | C10 | C15 | 119.6° | 119.7° |
| C10 | C11 | C12 | 120.5° | 119.7° |
| C10 | C11 | H11 | 119.8° | 120.2° |
| C10 | C15 | C14 | 118.7° | 119.0° |
| C10 | C15 | N16 | 119.6° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.8° |
| C12 | C11 | H11 | 119.7° | 120.2° |
| C11 | C12 | H12 | 120.0° | 119.6° |
| C12 | C13 | C14 | 120.5° | 121.0° |
| C13 | C12 | H12 | 120.0° | 119.6° |
| C12 | C13 | H13 | 119.7° | 119.5° |
| C13 | C14 | C15 | 120.7° | 119.8° |
| C14 | C13 | H13 | 119.7° | 119.5° |
| C13 | C14 | H14 | 119.6° | 120.1° |
| C14 | C15 | N16 | 121.7° | 120.9° |
| C15 | C14 | H14 | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 179.4° | 179.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C6 | C5 | H5 | 179.3° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C2 | C3 | C4 | C7 | 179.6° | 180.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.7° |
| C3 | C4 | C5 | C7 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C3 | C4 | C7 | C8 | 47.6° | 180.0° |
| C3 | C4 | C7 | N16 | 134.0° | 0.3° |
| C4 | C3 | C2 | H2 | 179.4° | 180.0° |
| C3 | C4 | C5 | H5 | 179.1° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C7 | C8 | 132.0° | 0.0° |
| C5 | C4 | C7 | N16 | 46.4° | 179.7° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C4 | C3 | H3 | 179.2° | 180.0° |
| C7 | C4 | C5 | C6 | 179.6° | 180.0° |
| C4 | C7 | C8 | N16 | 178.3° | 179.7° |
| C4 | C7 | C8 | C9 | 179.1° | 180.0° |
| C4 | C7 | N16 | C15 | 179.2° | 179.8° |
| C7 | C4 | C3 | H3 | 0.4° | 0.1° |
| C7 | C4 | C5 | H5 | 0.5° | 0.1° |
| C4 | C7 | C8 | H8 | 0.9° | 0.0° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C9 | O17 | 178.5° | 180.0° |
| C8 | C7 | N16 | C15 | 0.9° | 0.5° |
| N16 | C7 | C8 | C9 | 0.7° | 0.2° |
| C7 | N16 | C15 | C10 | 0.5° | 0.5° |
| C7 | N16 | C15 | C14 | 178.9° | 179.8° |
| N16 | C7 | C8 | H8 | 179.3° | 179.8° |
| C8 | C9 | C10 | O17 | 178.8° | 180.0° |
| C8 | C9 | C10 | C11 | 179.2° | 180.0° |
| C8 | C9 | C10 | C15 | 0.1° | 0.0° |
| C8 | C9 | O17 | H17 | 95.8° | 90.0° |
| C9 | C10 | C11 | C15 | 179.3° | 180.0° |
| C9 | C10 | C11 | C12 | 179.8° | 180.0° |
| C9 | C10 | C15 | C14 | 179.4° | 180.0° |
| C9 | C10 | C15 | N16 | 0.0° | 0.3° |
| C10 | C9 | C8 | H8 | 179.8° | 180.0° |
| C10 | C9 | O17 | H17 | 85.5° | 90.0° |
| C9 | C10 | C11 | H11 | 0.2° | 0.0° |
| O17 | C9 | C10 | C11 | 0.4° | 0.1° |
| O17 | C9 | C10 | C15 | 178.9° | 179.9° |
| O17 | C9 | C8 | H8 | 1.5° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.5° | 0.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C11 | C10 | C15 | N16 | 179.3° | 179.7° |
| C10 | C11 | C12 | H12 | 178.5° | 180.0° |
| C15 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C15 | C14 | C13 | 0.9° | 0.0° |
| C10 | C15 | C14 | N16 | 179.4° | 179.7° |
| C15 | C10 | C11 | H11 | 179.5° | 179.9° |
| C10 | C15 | C14 | H14 | 179.1° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.3° | 0.0° |
| C11 | C12 | C13 | H13 | 177.7° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.0° | 0.0° |
| C13 | C12 | C11 | H11 | 178.5° | 179.9° |
| C12 | C13 | C14 | H14 | 178.0° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 178.6° | 179.7° |
| C14 | C13 | C12 | H12 | 177.7° | 180.0° |
| C15 | C14 | C13 | H13 | 178.0° | 179.9° |
| N16 | C15 | C14 | H14 | 1.5° | 0.3° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H1 | C1 | C6 | H6 | 0.4° | 0.3° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| H6 | C6 | C5 | H5 | 0.7° | 0.0° |
| H11 | C11 | C12 | H12 | 1.5° | 0.0° |
| H12 | C12 | C13 | H13 | 2.3° | 0.1° |
| H13 | C13 | C14 | H14 | 2.0° | 0.1° |
