V3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C14 | sing | 1.47Å | 1.54Å | |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.52Å | |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| C03 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C07 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C10 | N09 | sing | 1.35Å | 1.46Å | |
| C10 | O18 | doub | 1.22Å | 1.19Å | |
| N09 | C08 | sing | 1.46Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| N09 | H17 | sing | 0.97Å | 1.00Å | |
| C17 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C14 | C13 | 121.1° | 120.1° |
| C17 | C14 | C15 | 119.6° | 120.0° |
| C14 | C17 | H13 | 132.0° | 120.0° |
| C14 | C17 | O1 | 96.0° | 120.0° |
| C13 | C14 | C15 | 119.3° | 119.9° |
| C14 | C13 | C12 | 120.9° | 120.0° |
| C14 | C13 | H10 | 119.5° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H11 | 119.9° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.1° |
| C13 | C12 | H9 | 120.4° | 120.0° |
| C12 | C13 | H10 | 119.5° | 120.0° |
| C04 | C05 | C06 | 120.1° | 120.0° |
| C05 | C04 | C03 | 119.9° | 120.0° |
| C05 | C04 | H4 | 120.0° | 120.0° |
| C04 | C05 | H5 | 119.9° | 120.0° |
| C05 | C06 | C07 | 120.2° | 120.1° |
| C06 | C05 | H5 | 120.0° | 120.0° |
| C05 | C06 | H6 | 119.9° | 120.0° |
| C04 | C03 | O02 | 118.9° | 120.1° |
| C04 | C03 | C19 | 119.9° | 119.9° |
| C03 | C04 | H4 | 120.0° | 120.0° |
| C15 | C16 | C11 | 120.2° | 120.0° |
| C16 | C15 | H11 | 119.9° | 120.0° |
| C15 | C16 | H12 | 119.9° | 120.0° |
| C12 | C11 | C16 | 120.1° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C11 | C12 | H9 | 120.4° | 120.0° |
| C06 | C07 | C19 | 119.7° | 120.0° |
| C06 | C07 | C08 | 119.5° | 120.0° |
| C07 | C06 | H6 | 119.9° | 119.9° |
| C16 | C11 | C10 | 119.8° | 120.0° |
| C11 | C16 | H12 | 119.9° | 120.0° |
| C11 | C10 | N09 | 116.7° | 120.0° |
| C11 | C10 | O18 | 120.0° | 120.0° |
| O02 | C03 | C19 | 121.2° | 120.1° |
| C03 | O02 | C01 | 115.3° | 117.0° |
| C03 | C19 | C07 | 120.2° | 120.0° |
| C03 | C19 | H16 | 119.9° | 120.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.4° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C19 | C07 | C08 | 120.8° | 120.0° |
| C07 | C19 | H16 | 119.9° | 120.0° |
| C07 | C08 | N09 | 108.8° | 109.5° |
| C07 | C08 | H7 | 109.7° | 109.5° |
| C07 | C08 | H8 | 109.7° | 109.4° |
| N09 | C10 | O18 | 123.2° | 120.0° |
| C10 | N09 | C08 | 124.2° | 120.0° |
| C10 | N09 | H17 | 117.9° | 119.9° |
| N09 | C08 | H7 | 109.6° | 109.5° |
| N09 | C08 | H8 | 109.6° | 109.5° |
| C08 | N09 | H17 | 117.9° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H13 | C17 | O1 | 132.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C14 | C13 | C15 | 178.2° | 180.0° |
| C17 | C14 | C13 | C12 | 179.5° | 180.0° |
| C17 | C14 | C15 | C16 | 179.7° | 179.7° |
| C17 | C14 | C13 | H10 | 0.5° | 0.0° |
| C17 | C14 | C15 | H11 | 0.3° | 0.0° |
| C14 | C17 | H13 | O1 | 180.0° | 180.0° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.5° | 0.3° |
| C14 | C13 | C12 | C11 | 1.1° | 0.0° |
| C14 | C13 | C12 | H9 | 178.9° | 180.0° |
| C13 | C14 | C15 | H11 | 178.5° | 180.0° |
| C13 | C14 | C17 | H13 | 102.3° | 180.0° |
| C13 | C14 | C17 | O1 | 77.7° | 0.0° |
| C15 | C14 | C13 | C12 | 1.3° | 0.0° |
| C14 | C15 | C16 | H11 | 180.0° | 179.7° |
| C14 | C15 | C16 | C11 | 1.6° | 0.5° |
| C15 | C14 | C13 | H10 | 178.7° | 179.9° |
| C14 | C15 | C16 | H12 | 178.4° | 180.0° |
| C15 | C14 | C17 | H13 | 75.9° | 0.0° |
| C15 | C14 | C17 | O1 | 104.1° | 179.9° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 1.1° | 0.3° |
| C13 | C12 | C11 | C10 | 179.0° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.4° | 0.1° |
| C05 | C04 | C03 | O02 | 179.7° | 180.0° |
| C05 | C04 | C03 | C19 | 0.6° | 0.2° |
| C04 | C05 | C06 | H6 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.2° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C05 | C06 | C07 | C19 | 0.7° | 0.3° |
| C05 | C06 | C07 | C08 | 179.9° | 180.0° |
| C06 | C05 | C04 | H4 | 179.8° | 180.0° |
| C04 | C03 | O02 | C19 | 179.8° | 179.8° |
| C04 | C03 | O02 | C01 | 149.8° | 0.2° |
| C04 | C03 | C19 | C07 | 0.2° | 0.5° |
| C03 | C04 | C05 | H5 | 179.8° | 180.0° |
| C04 | C03 | C19 | H16 | 179.7° | 179.7° |
| C15 | C16 | C11 | C12 | 1.4° | 0.6° |
| C15 | C16 | C11 | H12 | 180.0° | 179.5° |
| C15 | C16 | C11 | C10 | 179.3° | 179.8° |
| C12 | C11 | C16 | C10 | 177.9° | 179.7° |
| C12 | C11 | C10 | N09 | 139.4° | 180.0° |
| C12 | C11 | C10 | O18 | 38.7° | 0.0° |
| C11 | C12 | C13 | H10 | 178.9° | 179.9° |
| C12 | C11 | C16 | H12 | 178.6° | 180.0° |
| C06 | C07 | C19 | C03 | 0.4° | 0.5° |
| C06 | C07 | C19 | C08 | 179.3° | 179.7° |
| C06 | C07 | C08 | N09 | 56.2° | 90.0° |
| C07 | C06 | C05 | H5 | 179.6° | 179.9° |
| C06 | C07 | C08 | H7 | 176.0° | 150.0° |
| C06 | C07 | C08 | H8 | 63.7° | 30.0° |
| C06 | C07 | C19 | H16 | 179.6° | 179.7° |
| C16 | C11 | C10 | N09 | 38.5° | 0.4° |
| C16 | C11 | C10 | O18 | 143.4° | 179.7° |
| C16 | C11 | C12 | H9 | 178.9° | 179.7° |
| C11 | C16 | C15 | H11 | 178.4° | 179.7° |
| C11 | C10 | N09 | O18 | 178.0° | 179.9° |
| C11 | C10 | N09 | C08 | 178.9° | 180.0° |
| C10 | C11 | C12 | H9 | 1.0° | 0.1° |
| C10 | C11 | C16 | H12 | 0.7° | 0.3° |
| C11 | C10 | N09 | H17 | 1.0° | 0.1° |
| O02 | C03 | C19 | C07 | 180.0° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.1° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | C04 | H4 | 0.3° | 0.0° |
| O02 | C03 | C19 | H16 | 0.0° | 0.0° |
| C19 | C03 | O02 | C01 | 29.9° | 180.0° |
| C03 | C19 | C07 | H16 | 180.0° | 179.8° |
| C03 | C19 | C07 | C08 | 179.7° | 179.8° |
| C19 | C03 | C04 | H4 | 179.5° | 179.8° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C19 | C07 | C08 | N09 | 123.1° | 89.7° |
| C19 | C07 | C06 | H6 | 179.2° | 179.7° |
| C19 | C07 | C08 | H7 | 3.3° | 30.3° |
| C19 | C07 | C08 | H8 | 117.0° | 150.3° |
| C07 | C08 | N09 | C10 | 113.0° | 179.9° |
| C07 | C08 | N09 | H7 | 119.9° | 120.0° |
| C07 | C08 | N09 | H8 | 119.9° | 119.9° |
| C08 | C07 | C06 | H6 | 0.1° | 0.0° |
| C07 | C08 | H7 | H8 | 120.3° | 120.0° |
| C08 | C07 | C19 | H16 | 0.3° | 0.0° |
| C07 | C08 | N09 | H17 | 67.0° | 0.0° |
| C10 | N09 | C08 | H17 | 180.0° | 179.9° |
| C10 | N09 | C08 | H7 | 127.1° | 60.0° |
| C10 | N09 | C08 | H8 | 6.9° | 60.0° |
| O18 | C10 | N09 | C08 | 0.9° | 0.0° |
| O18 | C10 | N09 | H17 | 179.1° | 180.0° |
| N09 | C08 | H7 | H8 | 120.3° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 0.2° | 0.0° |
| H5 | C05 | C06 | H6 | 0.5° | 0.0° |
| H7 | C08 | N09 | H17 | 52.9° | 120.0° |
| H8 | C08 | N09 | H17 | 173.1° | 119.9° |
| H9 | C12 | C13 | H10 | 1.1° | 0.0° |
| H11 | C15 | C16 | H12 | 1.6° | 0.3° |
