QV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | N1 | sing | 1.31Å | 1.32Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C8 | N | sing | 1.47Å | 1.48Å | |
| C8 | C7 | sing | 1.55Å | 1.54Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N | sing | 1.40Å | 1.43Å | |
| N | C9 | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| C9 | O | doub | 1.21Å | 1.22Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.6° | 119.5° |
| C14 | C15 | C16 | 120.7° | 121.1° |
| C14 | C15 | H7 | 119.7° | 119.4° |
| C15 | C14 | H13 | 119.7° | 120.3° |
| C14 | C13 | C12 | 123.2° | 122.0° |
| C14 | C13 | C18 | 119.0° | 119.3° |
| C13 | C14 | H13 | 119.7° | 120.2° |
| C13 | C12 | N1 | 124.3° | 120.2° |
| C12 | C13 | C18 | 117.7° | 118.7° |
| C13 | C12 | H14 | 117.8° | 119.9° |
| C12 | N1 | C11 | 117.3° | 122.9° |
| N1 | C12 | H14 | 117.8° | 119.9° |
| C15 | C16 | C17 | 120.6° | 121.0° |
| C16 | C15 | H7 | 119.7° | 119.5° |
| C15 | C16 | H12 | 119.7° | 119.5° |
| C13 | C18 | C17 | 118.1° | 119.6° |
| C13 | C18 | C10 | 117.6° | 118.2° |
| N1 | C11 | C10 | 125.0° | 121.6° |
| N1 | C11 | H15 | 117.5° | 119.2° |
| C16 | C17 | C18 | 121.0° | 119.5° |
| C16 | C17 | H8 | 119.5° | 120.3° |
| C17 | C16 | H12 | 119.7° | 119.5° |
| C17 | C18 | C10 | 124.2° | 122.2° |
| C18 | C17 | H8 | 119.5° | 120.3° |
| C18 | C10 | C11 | 117.9° | 118.5° |
| C18 | C10 | N | 122.1° | 120.8° |
| N | C8 | C7 | 103.5° | 105.5° |
| C8 | N | C10 | 122.6° | 124.4° |
| C8 | N | C9 | 111.9° | 111.3° |
| N | C8 | H5 | 110.9° | 110.3° |
| N | C8 | H6 | 110.9° | 110.2° |
| C8 | C7 | C6 | 101.4° | 101.8° |
| C8 | C7 | H3 | 111.5° | 110.9° |
| C8 | C7 | H4 | 111.4° | 111.0° |
| C7 | C8 | H5 | 110.9° | 110.3° |
| C7 | C8 | H6 | 111.0° | 110.3° |
| C11 | C10 | N | 120.0° | 120.7° |
| C10 | C11 | H15 | 117.5° | 119.2° |
| C10 | N | C9 | 125.3° | 124.3° |
| N | C9 | C6 | 105.5° | 110.2° |
| N | C9 | O | 127.0° | 124.9° |
| C7 | C6 | C9 | 101.2° | 104.2° |
| C7 | C6 | C4 | 118.0° | 110.5° |
| C7 | C6 | H2 | 107.8° | 110.6° |
| C6 | C7 | H3 | 111.4° | 111.0° |
| C6 | C7 | H4 | 111.5° | 110.9° |
| C9 | C6 | C4 | 113.4° | 110.5° |
| C6 | C9 | O | 127.5° | 124.9° |
| C9 | C6 | H2 | 107.9° | 110.5° |
| C6 | C4 | C5 | 116.0° | 120.0° |
| C6 | C4 | C3 | 123.8° | 120.0° |
| C4 | C6 | H2 | 107.9° | 110.5° |
| C5 | C4 | C3 | 119.2° | 120.1° |
| C4 | C5 | C | 119.7° | 119.9° |
| C4 | C5 | H1 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C4 | C3 | H9 | 119.8° | 120.0° |
| C5 | C | CL | 118.4° | 120.0° |
| C5 | C | C1 | 121.6° | 120.0° |
| C | C5 | H1 | 120.1° | 120.1° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C2 | C3 | H9 | 119.7° | 120.0° |
| C3 | C2 | H10 | 119.9° | 120.0° |
| CL | C | C1 | 119.6° | 120.0° |
| C | C1 | C2 | 118.5° | 120.0° |
| C | C1 | H11 | 120.7° | 120.0° |
| C1 | C2 | H10 | 119.9° | 120.0° |
| C2 | C1 | H11 | 120.7° | 120.0° |
| H3 | C7 | H4 | 109.5° | 110.8° |
| H5 | C8 | H6 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 176.9° | 180.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 0.7° | 0.1° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H12 | 179.7° | 180.0° |
| C14 | C13 | C12 | C18 | 177.6° | 179.9° |
| C14 | C13 | C12 | N1 | 177.5° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C18 | C17 | 0.7° | 0.1° |
| C14 | C13 | C18 | C10 | 178.4° | 180.0° |
| C13 | C14 | C15 | H7 | 179.8° | 180.0° |
| C14 | C13 | C12 | H14 | 2.6° | 0.0° |
| C13 | C12 | N1 | H14 | 180.0° | 180.0° |
| C13 | C12 | N1 | C11 | 0.7° | 0.0° |
| C12 | C13 | C18 | C17 | 177.1° | 180.0° |
| C12 | C13 | C18 | C10 | 0.7° | 0.0° |
| C12 | C13 | C14 | H13 | 3.1° | 0.0° |
| N1 | C12 | C13 | C18 | 0.1° | 0.0° |
| C12 | N1 | C11 | C10 | 0.4° | 0.0° |
| C12 | N1 | C11 | H15 | 179.5° | 180.0° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H8 | 179.7° | 180.0° |
| C16 | C15 | C14 | H13 | 179.8° | 180.0° |
| C13 | C18 | C17 | C16 | 0.2° | 0.0° |
| C13 | C18 | C17 | C10 | 177.6° | 180.0° |
| C13 | C18 | C10 | C11 | 0.9° | 0.0° |
| C13 | C18 | C10 | N | 179.2° | 180.0° |
| C13 | C18 | C17 | H8 | 179.8° | 179.9° |
| C18 | C13 | C14 | H13 | 179.4° | 179.9° |
| C18 | C13 | C12 | H14 | 179.8° | 180.0° |
| N1 | C11 | C10 | C18 | 0.4° | 0.0° |
| N1 | C11 | C10 | H15 | 180.0° | 180.0° |
| N1 | C11 | C10 | N | 178.7° | 180.0° |
| C11 | N1 | C12 | H14 | 179.3° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C16 | C17 | C18 | C10 | 177.8° | 180.0° |
| C17 | C16 | C15 | H7 | 179.7° | 180.0° |
| C17 | C18 | C10 | C11 | 176.7° | 180.0° |
| C17 | C18 | C10 | N | 1.7° | 0.1° |
| C18 | C17 | C16 | H12 | 179.7° | 180.0° |
| C18 | C10 | N | C8 | 77.2° | 89.9° |
| C18 | C10 | C11 | N | 178.4° | 179.9° |
| C18 | C10 | N | C9 | 109.2° | 90.0° |
| C10 | C18 | C17 | H8 | 2.2° | 0.0° |
| C18 | C10 | C11 | H15 | 179.7° | 180.0° |
| N | C8 | C7 | H5 | 119.0° | 119.0° |
| N | C8 | C7 | H6 | 119.0° | 118.9° |
| C8 | N | C10 | C11 | 104.5° | 90.0° |
| C8 | N | C10 | C9 | 173.6° | 179.9° |
| N | C8 | C7 | C6 | 27.3° | 25.4° |
| C8 | N | C9 | C6 | 21.1° | 0.4° |
| C8 | N | C9 | O | 157.3° | 179.5° |
| N | C8 | C7 | H3 | 91.4° | 143.6° |
| N | C8 | C7 | H4 | 145.9° | 92.7° |
| N | C8 | H5 | H6 | 122.8° | 121.9° |
| C7 | C8 | N | C10 | 178.7° | 163.0° |
| C7 | C8 | N | C9 | 4.3° | 17.0° |
| C8 | C7 | C6 | H3 | 118.7° | 118.1° |
| C8 | C7 | C6 | H4 | 118.7° | 118.2° |
| C8 | C7 | C6 | C9 | 38.8° | 24.8° |
| C8 | C7 | C6 | C4 | 163.1° | 143.5° |
| C8 | C7 | C6 | H2 | 74.4° | 93.9° |
| C8 | C7 | H3 | H4 | 123.7° | 123.8° |
| C7 | C8 | H5 | H6 | 122.8° | 122.0° |
| C11 | C10 | N | C9 | 69.1° | 90.1° |
| C10 | N | C9 | C6 | 153.1° | 179.6° |
| C10 | N | C9 | O | 28.5° | 0.4° |
| C10 | N | C8 | H5 | 62.3° | 78.0° |
| C10 | N | C8 | H6 | 59.6° | 44.1° |
| N | C10 | C11 | H15 | 1.3° | 0.1° |
| N | C9 | C6 | C7 | 37.8° | 16.2° |
| N | C9 | C6 | O | 178.4° | 180.0° |
| N | C9 | C6 | C4 | 165.2° | 134.9° |
| N | C9 | C6 | H2 | 75.4° | 102.5° |
| C9 | N | C8 | H5 | 123.3° | 102.0° |
| C9 | N | C8 | H6 | 114.8° | 136.0° |
| C7 | C6 | C9 | C4 | 127.4° | 118.7° |
| C7 | C6 | C9 | H2 | 113.1° | 118.7° |
| C7 | C6 | C4 | H2 | 122.5° | 122.7° |
| C7 | C6 | C9 | O | 140.6° | 163.8° |
| C7 | C6 | C4 | C5 | 127.2° | 123.8° |
| C7 | C6 | C4 | C3 | 64.2° | 56.0° |
| C6 | C7 | H3 | H4 | 123.8° | 123.8° |
| C6 | C7 | C8 | H5 | 146.3° | 93.6° |
| C6 | C7 | C8 | H6 | 91.8° | 144.4° |
| C9 | C6 | C4 | H2 | 119.5° | 122.6° |
| C9 | C6 | C4 | C5 | 114.8° | 121.5° |
| C9 | C6 | C4 | C3 | 53.8° | 58.8° |
| C9 | C6 | C7 | H3 | 79.9° | 142.9° |
| C9 | C6 | C7 | H4 | 157.5° | 93.4° |
| C4 | C6 | C9 | O | 13.2° | 45.1° |
| C6 | C4 | C5 | C3 | 169.2° | 179.8° |
| C6 | C4 | C5 | C | 163.5° | 179.8° |
| C6 | C4 | C3 | C2 | 165.4° | 179.8° |
| C6 | C4 | C5 | H1 | 16.5° | 0.3° |
| C4 | C6 | C7 | H3 | 44.4° | 98.4° |
| C4 | C6 | C7 | H4 | 78.2° | 25.3° |
| C6 | C4 | C3 | H9 | 14.6° | 0.2° |
| O | C9 | C6 | H2 | 106.3° | 77.5° |
| C4 | C5 | C | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 2.8° | 0.0° |
| C4 | C5 | C | CL | 168.4° | 180.0° |
| C4 | C5 | C | C1 | 5.1° | 0.0° |
| C5 | C4 | C6 | H2 | 4.7° | 1.1° |
| C5 | C4 | C3 | H9 | 177.2° | 180.0° |
| C3 | C4 | C5 | C | 5.6° | 0.0° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | C5 | H1 | 174.4° | 180.0° |
| C3 | C4 | C6 | H2 | 173.3° | 178.7° |
| C4 | C3 | C2 | H10 | 179.4° | 180.0° |
| C5 | C | CL | C1 | 173.6° | 180.0° |
| C5 | C | C1 | C2 | 1.6° | 0.0° |
| C5 | C | C1 | H11 | 178.3° | 180.0° |
| C3 | C2 | C1 | C | 1.2° | 0.0° |
| C3 | C2 | C1 | H10 | 180.0° | 180.0° |
| C3 | C2 | C1 | H11 | 178.8° | 180.0° |
| CL | C | C1 | C2 | 171.8° | 180.0° |
| CL | C | C5 | H1 | 11.6° | 0.1° |
| CL | C | C1 | H11 | 8.3° | 0.0° |
| C | C1 | C2 | H11 | 180.0° | 180.0° |
| C1 | C | C5 | H1 | 174.9° | 180.0° |
| C | C1 | C2 | H10 | 178.8° | 180.0° |
| C1 | C2 | C3 | H9 | 179.4° | 180.0° |
| H2 | C6 | C7 | H3 | 166.9° | 24.3° |
| H2 | C6 | C7 | H4 | 44.3° | 147.9° |
| H3 | C7 | C8 | H5 | 27.6° | 24.6° |
| H3 | C7 | C8 | H6 | 149.5° | 97.5° |
| H4 | C7 | C8 | H5 | 95.0° | 148.3° |
| H4 | C7 | C8 | H6 | 26.9° | 26.2° |
| H7 | C15 | C16 | H12 | 0.3° | 0.0° |
| H7 | C15 | C14 | H13 | 0.2° | 0.0° |
| H8 | C17 | C16 | H12 | 0.3° | 0.1° |
| H9 | C3 | C2 | H10 | 0.6° | 0.0° |
| H10 | C2 | C1 | H11 | 1.2° | 0.0° |
