7VL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C7 | sing | 1.51Å | 1.49Å | |
| O | C8 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | doub | 1.39Å | 1.46Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.48Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C | sing | 1.42Å | 1.49Å | Aromatic |
| C4 | N | doub | 1.31Å | 1.35Å | Aromatic |
| C | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.42Å | 1.48Å | Aromatic |
| N | C1 | sing | 1.34Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.80Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| O | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C7 | C8 | 118.5° | 120.0° |
| C11 | C7 | C6 | 121.9° | 119.9° |
| C7 | C11 | H2 | 109.5° | 109.5° |
| C7 | C11 | H3 | 109.5° | 109.5° |
| C7 | C11 | H4 | 109.5° | 109.5° |
| O | C8 | C7 | 118.4° | 119.9° |
| O | C8 | C10 | 123.0° | 120.0° |
| C8 | O | H12 | 109.5° | 114.0° |
| C8 | C7 | C6 | 119.6° | 120.1° |
| C7 | C8 | C10 | 118.6° | 120.1° |
| C7 | C6 | C5 | 120.5° | 119.9° |
| C7 | C6 | H10 | 119.7° | 120.1° |
| C8 | C10 | C9 | 120.3° | 120.1° |
| C8 | C10 | H1 | 119.8° | 119.9° |
| C6 | C5 | C9 | 119.9° | 119.8° |
| C6 | C5 | C2 | 120.2° | 120.0° |
| C5 | C6 | H10 | 119.7° | 120.0° |
| C10 | C9 | C5 | 121.0° | 120.0° |
| C9 | C10 | H1 | 119.9° | 120.0° |
| C10 | C9 | H11 | 119.5° | 120.0° |
| C9 | C5 | C2 | 119.9° | 120.1° |
| C5 | C9 | H11 | 119.5° | 120.0° |
| C5 | C2 | C3 | 120.7° | 121.1° |
| C5 | C2 | C | 122.8° | 121.1° |
| C2 | C3 | C4 | 120.3° | 119.6° |
| C3 | C2 | C | 116.5° | 117.8° |
| C2 | C3 | H8 | 119.9° | 120.2° |
| C3 | C4 | N | 123.9° | 121.9° |
| C4 | C3 | H8 | 119.9° | 120.2° |
| C3 | C4 | H9 | 118.0° | 119.0° |
| C2 | C | C12 | 122.8° | 121.4° |
| C2 | C | C1 | 118.9° | 118.9° |
| C4 | N | C1 | 121.7° | 121.8° |
| N | C4 | H9 | 118.0° | 119.1° |
| C12 | C | C1 | 118.3° | 119.7° |
| C | C12 | C13 | 120.0° | 119.7° |
| C | C12 | H5 | 120.0° | 120.1° |
| C | C1 | N | 118.7° | 119.9° |
| C | C1 | C14 | 120.0° | 119.1° |
| N | C1 | C14 | 121.3° | 121.0° |
| C12 | C13 | C15 | 121.8° | 120.8° |
| C13 | C12 | H5 | 120.0° | 120.2° |
| C12 | C13 | H6 | 119.1° | 119.6° |
| C1 | C14 | C15 | 119.2° | 119.7° |
| C1 | C14 | H7 | 120.4° | 120.1° |
| C13 | C15 | C14 | 120.8° | 121.0° |
| C13 | C15 | CL | 116.3° | 119.5° |
| C15 | C13 | H6 | 119.1° | 119.6° |
| C14 | C15 | CL | 122.9° | 119.5° |
| C15 | C14 | H7 | 120.4° | 120.1° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H2 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C7 | C8 | O | 0.2° | 0.1° |
| C11 | C7 | C8 | C6 | 179.9° | 179.5° |
| C11 | C7 | C8 | C10 | 178.8° | 180.0° |
| C11 | C7 | C6 | C5 | 179.5° | 179.7° |
| C7 | C11 | H2 | H3 | 120.0° | 120.0° |
| C7 | C11 | H2 | H4 | 120.0° | 120.0° |
| C7 | C11 | H3 | H4 | 120.0° | 120.0° |
| C11 | C7 | C6 | H10 | 0.5° | 0.3° |
| O | C8 | C7 | C10 | 179.0° | 180.0° |
| O | C8 | C7 | C6 | 179.7° | 179.4° |
| O | C8 | C10 | C9 | 179.4° | 180.0° |
| O | C8 | C10 | H1 | 0.6° | 0.3° |
| C8 | C7 | C6 | C5 | 0.7° | 0.8° |
| C7 | C8 | C10 | C9 | 1.6° | 0.0° |
| C7 | C8 | C10 | H1 | 178.4° | 179.7° |
| C8 | C7 | C11 | H2 | 89.9° | 90.0° |
| C8 | C7 | C11 | H3 | 150.1° | 150.0° |
| C8 | C7 | C11 | H4 | 30.1° | 30.0° |
| C8 | C7 | C6 | H10 | 179.3° | 179.7° |
| C7 | C8 | O | H12 | 180.0° | 90.0° |
| C6 | C7 | C8 | C10 | 1.3° | 0.5° |
| C7 | C6 | C5 | H10 | 180.0° | 179.5° |
| C7 | C6 | C5 | C9 | 0.3° | 0.5° |
| C7 | C6 | C5 | C2 | 179.8° | 179.4° |
| C6 | C7 | C11 | H2 | 89.9° | 90.5° |
| C6 | C7 | C11 | H3 | 30.1° | 29.4° |
| C6 | C7 | C11 | H4 | 150.1° | 149.4° |
| C8 | C10 | C9 | H1 | 180.0° | 179.7° |
| C8 | C10 | C9 | C5 | 1.3° | 0.3° |
| C8 | C10 | C9 | H11 | 178.7° | 179.7° |
| C10 | C8 | O | H12 | 1.0° | 89.9° |
| C6 | C5 | C9 | C10 | 0.6° | 0.0° |
| C6 | C5 | C9 | C2 | 179.9° | 180.0° |
| C6 | C5 | C2 | C3 | 49.4° | 50.1° |
| C6 | C5 | C2 | C | 131.2° | 130.0° |
| C6 | C5 | C9 | H11 | 179.4° | 180.0° |
| C10 | C9 | C5 | H11 | 180.0° | 180.0° |
| C10 | C9 | C5 | C2 | 179.5° | 180.0° |
| C9 | C5 | C2 | C3 | 130.5° | 129.9° |
| C9 | C5 | C2 | C | 49.0° | 50.0° |
| C5 | C9 | C10 | H1 | 178.7° | 180.0° |
| C9 | C5 | C6 | H10 | 179.7° | 180.0° |
| C5 | C2 | C3 | C | 179.5° | 179.9° |
| C5 | C2 | C3 | C4 | 179.3° | 179.9° |
| C5 | C2 | C | C12 | 0.3° | 0.1° |
| C5 | C2 | C | C1 | 178.9° | 179.9° |
| C5 | C2 | C3 | H8 | 0.7° | 0.1° |
| C2 | C5 | C6 | H10 | 0.2° | 0.0° |
| C2 | C5 | C9 | H11 | 0.4° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 0.3° | 0.3° |
| C3 | C2 | C | C12 | 179.2° | 180.0° |
| C3 | C2 | C | C1 | 0.6° | 0.1° |
| C2 | C3 | C4 | H9 | 179.7° | 179.9° |
| C4 | C3 | C2 | C | 0.2° | 0.0° |
| C3 | C4 | N | H9 | 180.0° | 179.6° |
| C3 | C4 | N | C1 | 0.2° | 0.7° |
| C2 | C | C12 | C1 | 178.6° | 180.0° |
| C2 | C | C1 | N | 0.7° | 0.3° |
| C2 | C | C12 | C13 | 178.5° | 180.0° |
| C2 | C | C1 | C14 | 179.1° | 179.4° |
| C2 | C | C12 | H5 | 1.5° | 0.3° |
| C | C2 | C3 | H8 | 179.8° | 180.0° |
| C4 | N | C1 | C | 0.3° | 0.6° |
| C4 | N | C1 | C14 | 179.6° | 179.8° |
| N | C4 | C3 | H8 | 179.8° | 179.7° |
| C12 | C | C1 | N | 179.3° | 179.7° |
| C | C12 | C13 | H5 | 180.0° | 179.7° |
| C12 | C | C1 | C14 | 0.5° | 0.6° |
| C | C12 | C13 | C15 | 0.6° | 0.3° |
| C | C12 | C13 | H6 | 179.4° | 179.7° |
| C | C1 | N | C14 | 179.9° | 179.1° |
| C1 | C | C12 | C13 | 0.1° | 0.0° |
| C | C1 | C14 | C15 | 0.6° | 0.9° |
| C1 | C | C12 | H5 | 180.0° | 179.7° |
| C | C1 | C14 | H7 | 179.4° | 179.7° |
| N | C1 | C14 | C15 | 179.3° | 180.0° |
| N | C1 | C14 | H7 | 0.7° | 0.5° |
| C1 | N | C4 | H9 | 179.8° | 179.7° |
| C12 | C13 | C15 | H6 | 180.0° | 180.0° |
| C12 | C13 | C15 | C14 | 0.6° | 0.0° |
| C12 | C13 | C15 | CL | 178.8° | 180.0° |
| C1 | C14 | C15 | C13 | 0.0° | 0.6° |
| C1 | C14 | C15 | H7 | 180.0° | 179.5° |
| C1 | C14 | C15 | CL | 179.4° | 179.4° |
| C13 | C15 | C14 | CL | 179.3° | 180.0° |
| C15 | C13 | C12 | H5 | 179.4° | 180.0° |
| C13 | C15 | C14 | H7 | 180.0° | 179.9° |
| C14 | C15 | C13 | H6 | 179.4° | 180.0° |
| CL | C15 | C13 | H6 | 1.2° | 0.1° |
| CL | C15 | C14 | H7 | 0.6° | 0.0° |
| H1 | C10 | C9 | H11 | 1.3° | 0.0° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H5 | C12 | C13 | H6 | 0.6° | 0.0° |
| H8 | C3 | C4 | H9 | 0.2° | 0.1° |
