7VF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C7 | sing | 1.51Å | 1.51Å | |
| O1 | C8 | sing | 1.36Å | 1.33Å | |
| C7 | C8 | sing | 1.39Å | 1.45Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.48Å | 1.50Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C | sing | 1.42Å | 1.48Å | Aromatic |
| C4 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.42Å | 1.48Å | Aromatic |
| N | C1 | sing | 1.34Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O | sing | 1.36Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C7 | C8 | 118.2° | 119.9° |
| C11 | C7 | C6 | 123.5° | 120.0° |
| C7 | C11 | H2 | 109.5° | 109.5° |
| C7 | C11 | H3 | 109.5° | 109.5° |
| C7 | C11 | H4 | 109.5° | 109.5° |
| O1 | C8 | C7 | 117.7° | 119.9° |
| O1 | C8 | C10 | 122.3° | 119.9° |
| C8 | O1 | H1 | 109.5° | 114.0° |
| C8 | C7 | C6 | 118.2° | 120.1° |
| C7 | C8 | C10 | 119.8° | 120.2° |
| C7 | C6 | C5 | 120.9° | 119.9° |
| C7 | C6 | H5 | 119.6° | 120.0° |
| C8 | C10 | C9 | 120.4° | 120.1° |
| C8 | C10 | H6 | 119.8° | 120.0° |
| C6 | C5 | C9 | 120.4° | 119.9° |
| C6 | C5 | C2 | 120.8° | 120.1° |
| C5 | C6 | H5 | 119.6° | 120.1° |
| C10 | C9 | C5 | 120.1° | 119.9° |
| C9 | C10 | H6 | 119.8° | 119.9° |
| C10 | C9 | H7 | 119.9° | 120.0° |
| C9 | C5 | C2 | 118.8° | 120.1° |
| C5 | C9 | H7 | 120.0° | 120.0° |
| C5 | C2 | C3 | 121.8° | 121.1° |
| C5 | C2 | C | 121.9° | 121.1° |
| C2 | C3 | C4 | 120.8° | 119.6° |
| C3 | C2 | C | 116.2° | 117.9° |
| C2 | C3 | H8 | 119.6° | 120.2° |
| C3 | C4 | N | 123.5° | 121.9° |
| C4 | C3 | H8 | 119.6° | 120.1° |
| C3 | C4 | H9 | 118.2° | 119.1° |
| C2 | C | C12 | 121.6° | 121.3° |
| C2 | C | C1 | 118.9° | 118.9° |
| C4 | N | C1 | 120.6° | 121.8° |
| N | C4 | H9 | 118.3° | 119.1° |
| C12 | C | C1 | 119.4° | 119.9° |
| C | C12 | C13 | 121.1° | 119.9° |
| C | C12 | H10 | 119.4° | 120.1° |
| C | C1 | N | 119.9° | 120.0° |
| C | C1 | C14 | 118.1° | 119.2° |
| N | C1 | C14 | 122.0° | 120.9° |
| C12 | C13 | C15 | 119.2° | 120.7° |
| C13 | C12 | H10 | 119.5° | 120.0° |
| C12 | C13 | H11 | 120.4° | 119.7° |
| C1 | C14 | C15 | 119.3° | 119.6° |
| C1 | C14 | H13 | 120.4° | 120.3° |
| C13 | C15 | C14 | 122.9° | 120.8° |
| C13 | C15 | O | 114.4° | 119.6° |
| C15 | C13 | H11 | 120.4° | 119.6° |
| C14 | C15 | O | 122.7° | 119.6° |
| C15 | C14 | H13 | 120.3° | 120.2° |
| C15 | O | H12 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H2 | C11 | H4 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C7 | C8 | O1 | 3.5° | 0.0° |
| C11 | C7 | C8 | C6 | 176.6° | 180.0° |
| C11 | C7 | C8 | C10 | 178.8° | 179.8° |
| C11 | C7 | C6 | C5 | 179.9° | 180.0° |
| 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 | H5 | 0.2° | 0.1° |
| O1 | C8 | C7 | C10 | 175.3° | 179.8° |
| O1 | C8 | C7 | C6 | 179.9° | 180.0° |
| O1 | C8 | C10 | C9 | 178.2° | 180.0° |
| O1 | C8 | C10 | H6 | 1.7° | 0.0° |
| C8 | C7 | C6 | C5 | 3.7° | 0.0° |
| C7 | C8 | C10 | C9 | 3.2° | 0.2° |
| C7 | C8 | O1 | H1 | 180.0° | 89.7° |
| C8 | C7 | C11 | H2 | 91.6° | 90.0° |
| C8 | C7 | C11 | H3 | 148.4° | 150.0° |
| C8 | C7 | C11 | H4 | 28.4° | 30.0° |
| C8 | C7 | C6 | H5 | 176.3° | 180.0° |
| C7 | C8 | C10 | H6 | 176.8° | 179.8° |
| C6 | C7 | C8 | C10 | 4.6° | 0.2° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C9 | 1.3° | 0.2° |
| C7 | C6 | C5 | C2 | 178.3° | 180.0° |
| C6 | C7 | C11 | H2 | 92.0° | 90.0° |
| C6 | C7 | C11 | H3 | 28.0° | 30.0° |
| C6 | C7 | C11 | H4 | 148.0° | 150.0° |
| C8 | C10 | C9 | H6 | 180.0° | 180.0° |
| C8 | C10 | C9 | C5 | 0.7° | 0.1° |
| C10 | C8 | O1 | H1 | 4.8° | 90.0° |
| C8 | C10 | C9 | H7 | 179.3° | 180.0° |
| C6 | C5 | C9 | C10 | 0.3° | 0.3° |
| C6 | C5 | C9 | C2 | 179.6° | 179.7° |
| C6 | C5 | C2 | C3 | 49.9° | 49.7° |
| C6 | C5 | C2 | C | 126.7° | 130.0° |
| C6 | C5 | C9 | H7 | 179.8° | 179.8° |
| C10 | C9 | C5 | H7 | 180.0° | 180.0° |
| C10 | C9 | C5 | C2 | 179.9° | 180.0° |
| C9 | C5 | C2 | C3 | 129.8° | 130.6° |
| C9 | C5 | C2 | C | 53.7° | 49.7° |
| C9 | C5 | C6 | H5 | 178.7° | 179.7° |
| C5 | C9 | C10 | H6 | 179.3° | 180.0° |
| C5 | C2 | C3 | C | 176.7° | 179.7° |
| C5 | C2 | C3 | C4 | 177.3° | 180.0° |
| C5 | C2 | C | C12 | 0.3° | 0.0° |
| C5 | C2 | C | C1 | 178.4° | 179.7° |
| C2 | C5 | C6 | H5 | 1.7° | 0.1° |
| C2 | C5 | C9 | H7 | 0.1° | 0.0° |
| C5 | C2 | C3 | H8 | 2.6° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 0.2° | 0.0° |
| C3 | C2 | C | C12 | 177.1° | 179.8° |
| C3 | C2 | C | C1 | 1.7° | 0.5° |
| C2 | C3 | C4 | H9 | 179.8° | 180.0° |
| C4 | C3 | C2 | C | 0.6° | 0.2° |
| C3 | C4 | N | H9 | 180.0° | 179.9° |
| C3 | C4 | N | C1 | 0.9° | 0.0° |
| C2 | C | C12 | C1 | 178.7° | 179.7° |
| C2 | C | C1 | N | 2.4° | 0.6° |
| C2 | C | C12 | C13 | 178.8° | 180.0° |
| C2 | C | C1 | C14 | 178.6° | 179.8° |
| C | C2 | C3 | H8 | 179.4° | 179.7° |
| C2 | C | C12 | H10 | 1.2° | 0.1° |
| C4 | N | C1 | C | 1.9° | 0.3° |
| C4 | N | C1 | C14 | 179.1° | 179.5° |
| N | C4 | C3 | H8 | 179.8° | 180.0° |
| C12 | C | C1 | N | 176.4° | 179.7° |
| C | C12 | C13 | H10 | 180.0° | 180.0° |
| C12 | C | C1 | C14 | 2.6° | 0.5° |
| C | C12 | C13 | C15 | 1.2° | 0.0° |
| C | C12 | C13 | H11 | 178.8° | 180.0° |
| C | C1 | N | C14 | 179.0° | 179.2° |
| C1 | C | C12 | C13 | 2.5° | 0.3° |
| C | C1 | C14 | C15 | 1.5° | 0.5° |
| C1 | C | C12 | H10 | 177.5° | 179.8° |
| C | C1 | C14 | H13 | 178.5° | 179.7° |
| N | C1 | C14 | C15 | 177.5° | 179.7° |
| C1 | N | C4 | H9 | 179.1° | 179.9° |
| N | C1 | C14 | H13 | 2.5° | 0.6° |
| C12 | C13 | C15 | H11 | 180.0° | 179.9° |
| C12 | C13 | C15 | C14 | 0.0° | 0.1° |
| C12 | C13 | C15 | O | 179.2° | 180.0° |
| C1 | C14 | C15 | C13 | 0.3° | 0.2° |
| C1 | C14 | C15 | H13 | 180.0° | 179.8° |
| C1 | C14 | C15 | O | 179.4° | 179.8° |
| C13 | C15 | C14 | O | 179.1° | 180.0° |
| C15 | C13 | C12 | H10 | 178.8° | 179.9° |
| C13 | C15 | O | H12 | 180.0° | 90.0° |
| C13 | C15 | C14 | H13 | 179.8° | 180.0° |
| C14 | C15 | C13 | H11 | 179.9° | 180.0° |
| C14 | C15 | O | H12 | 0.8° | 90.0° |
| O | C15 | C13 | H11 | 0.7° | 0.0° |
| O | C15 | C14 | H13 | 0.6° | 0.0° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H6 | C10 | C9 | H7 | 0.8° | 0.0° |
| H8 | C3 | C4 | H9 | 0.2° | 0.1° |
| H10 | C12 | C13 | H11 | 1.3° | 0.0° |
