VU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N2 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | doub | 1.33Å | 1.32Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| N2 | C16 | sing | 1.35Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | O2 | sing | 1.43Å | 1.39Å | |
| CL1 | C1 | sing | 1.74Å | 1.78Å | |
| C17 | C16 | sing | 1.47Å | 1.55Å | |
| C16 | O3 | doub | 1.22Å | 1.19Å | |
| C19 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C12 | sing | 1.36Å | 1.39Å | |
| C12 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.39Å | |
| O1 | C5 | sing | 1.36Å | 1.38Å | |
| C11 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| CL2 | C10 | sing | 1.74Å | 1.79Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.37Å | Aromatic |
| C9 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.43Å | 1.52Å | |
| C8 | N1 | trip | 1.14Å | 1.13Å | |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N2 | C14 | 118.7° | 120.0° |
| C15 | N2 | C16 | 124.6° | 120.0° |
| N2 | C15 | H13 | 109.5° | 109.4° |
| N2 | C15 | H14 | 109.5° | 109.5° |
| N2 | C15 | H15 | 109.5° | 109.5° |
| C18 | C17 | C16 | 127.4° | 120.0° |
| C17 | C18 | H2 | 120.0° | 120.0° |
| C17 | C18 | H3 | 120.0° | 120.0° |
| C18 | C17 | H4 | 116.3° | 120.0° |
| C14 | N2 | C16 | 116.8° | 120.0° |
| N2 | C14 | C13 | 105.4° | 109.4° |
| N2 | C14 | H11 | 110.5° | 109.5° |
| N2 | C14 | H12 | 110.5° | 109.5° |
| N2 | C16 | C17 | 126.2° | 120.0° |
| N2 | C16 | O3 | 114.4° | 120.0° |
| C14 | C13 | O2 | 106.1° | 109.5° |
| C14 | C13 | H9 | 110.3° | 109.5° |
| C14 | C13 | H10 | 110.3° | 109.4° |
| C13 | C14 | H11 | 110.5° | 109.4° |
| C13 | C14 | H12 | 110.5° | 109.5° |
| C13 | O2 | C12 | 117.0° | 117.0° |
| O2 | C13 | H9 | 110.3° | 109.5° |
| O2 | C13 | H10 | 110.3° | 109.5° |
| CL1 | C1 | C19 | 119.2° | 120.0° |
| CL1 | C1 | C2 | 120.2° | 120.0° |
| C17 | C16 | O3 | 119.4° | 120.0° |
| C16 | C17 | H4 | 116.3° | 120.0° |
| C1 | C19 | C12 | 117.3° | 120.0° |
| C19 | C1 | C2 | 120.6° | 120.1° |
| C1 | C19 | H1 | 121.4° | 120.0° |
| C19 | C12 | O2 | 124.4° | 120.1° |
| C19 | C12 | C4 | 122.3° | 119.9° |
| C12 | C19 | H1 | 121.3° | 120.0° |
| C1 | C2 | C3 | 121.0° | 120.2° |
| C1 | C2 | H16 | 119.5° | 119.9° |
| O2 | C12 | C4 | 113.3° | 120.0° |
| C12 | C4 | C3 | 120.9° | 119.8° |
| C12 | C4 | O1 | 113.4° | 120.1° |
| C2 | C3 | C4 | 117.8° | 120.0° |
| C2 | C3 | H5 | 121.1° | 120.0° |
| C3 | C2 | H16 | 119.5° | 119.9° |
| C3 | C4 | O1 | 125.4° | 120.1° |
| C4 | C3 | H5 | 121.1° | 120.0° |
| C4 | O1 | C5 | 120.4° | 118.0° |
| O1 | C5 | C11 | 124.7° | 120.0° |
| O1 | C5 | C6 | 114.4° | 120.0° |
| C5 | C11 | C10 | 118.7° | 120.3° |
| C11 | C5 | C6 | 120.9° | 120.0° |
| C5 | C11 | H8 | 120.7° | 119.9° |
| C11 | C10 | CL2 | 121.0° | 119.9° |
| C11 | C10 | C9 | 119.8° | 120.2° |
| C10 | C11 | H8 | 120.7° | 119.8° |
| C5 | C6 | C7 | 120.6° | 119.8° |
| C5 | C6 | H6 | 119.7° | 120.1° |
| CL2 | C10 | C9 | 119.2° | 119.9° |
| C10 | C9 | C7 | 120.4° | 120.0° |
| C10 | C9 | H7 | 119.8° | 120.1° |
| C6 | C7 | C9 | 119.6° | 119.8° |
| C6 | C7 | C8 | 118.5° | 120.1° |
| C7 | C6 | H6 | 119.7° | 120.1° |
| C9 | C7 | C8 | 121.8° | 120.1° |
| C7 | C9 | H7 | 119.8° | 120.0° |
| C7 | C8 | N1 | 179.4° | 180.0° |
| H2 | C18 | H3 | 120.0° | 120.0° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H13 | C15 | H15 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N2 | C14 | C16 | 179.5° | 179.9° |
| C15 | N2 | C14 | C13 | 52.6° | 90.0° |
| C15 | N2 | C16 | C17 | 0.7° | 0.1° |
| C15 | N2 | C16 | O3 | 179.5° | 180.0° |
| C15 | N2 | C14 | H11 | 66.7° | 29.9° |
| C15 | N2 | C14 | H12 | 172.0° | 150.0° |
| N2 | C15 | H13 | H14 | 120.0° | 119.9° |
| N2 | C15 | H13 | H15 | 120.0° | 120.0° |
| N2 | C15 | H14 | H15 | 120.0° | 120.1° |
| C18 | C17 | C16 | N2 | 12.9° | 180.0° |
| C18 | C17 | C16 | H4 | 180.0° | 180.0° |
| C18 | C17 | C16 | O3 | 167.3° | 0.0° |
| C17 | C18 | H2 | H3 | 180.0° | 180.0° |
| N2 | C14 | C13 | H11 | 119.3° | 120.0° |
| N2 | C14 | C13 | H12 | 119.4° | 120.0° |
| N2 | C14 | C13 | O2 | 94.9° | 64.9° |
| C14 | N2 | C16 | C17 | 179.8° | 180.0° |
| C14 | N2 | C16 | O3 | 0.1° | 0.1° |
| N2 | C14 | C13 | H9 | 24.6° | 175.0° |
| N2 | C14 | C13 | H10 | 145.6° | 55.0° |
| N2 | C14 | H11 | H12 | 121.9° | 120.1° |
| C14 | N2 | C15 | H13 | 180.0° | 90.1° |
| C14 | N2 | C15 | H14 | 60.0° | 150.0° |
| C14 | N2 | C15 | H15 | 60.0° | 29.9° |
| C16 | N2 | C14 | C13 | 127.9° | 90.1° |
| N2 | C16 | C17 | O3 | 179.8° | 179.9° |
| N2 | C16 | C17 | H4 | 167.0° | 0.0° |
| C16 | N2 | C14 | H11 | 112.8° | 150.0° |
| C16 | N2 | C14 | H12 | 8.5° | 29.9° |
| C16 | N2 | C15 | H13 | 0.6° | 90.0° |
| C16 | N2 | C15 | H14 | 119.4° | 29.9° |
| C16 | N2 | C15 | H15 | 120.5° | 150.0° |
| C14 | C13 | O2 | H9 | 119.5° | 120.0° |
| C14 | C13 | O2 | H10 | 119.5° | 119.9° |
| C14 | C13 | O2 | C12 | 167.2° | 180.0° |
| C14 | C13 | H9 | H10 | 121.6° | 119.9° |
| C13 | C14 | H11 | H12 | 121.9° | 120.0° |
| C13 | O2 | C12 | C19 | 1.4° | 0.1° |
| C13 | O2 | C12 | C4 | 178.1° | 180.0° |
| O2 | C13 | H9 | H10 | 121.6° | 120.0° |
| O2 | C13 | C14 | H11 | 145.8° | 55.0° |
| O2 | C13 | C14 | H12 | 24.4° | 175.1° |
| CL1 | C1 | C19 | C2 | 179.8° | 179.9° |
| CL1 | C1 | C19 | C12 | 179.5° | 179.9° |
| CL1 | C1 | C2 | C3 | 179.2° | 179.9° |
| CL1 | C1 | C19 | H1 | 0.5° | 0.2° |
| CL1 | C1 | C2 | H16 | 0.8° | 0.1° |
| C16 | C17 | C18 | H2 | 0.0° | 180.0° |
| C16 | C17 | C18 | H3 | 180.0° | 0.0° |
| O3 | C16 | C17 | H4 | 12.7° | 180.0° |
| C1 | C19 | C12 | H1 | 180.0° | 179.8° |
| C1 | C19 | C12 | O2 | 179.0° | 179.9° |
| C1 | C19 | C12 | C4 | 1.5° | 0.0° |
| C19 | C1 | C2 | C3 | 1.0° | 0.1° |
| C19 | C1 | C2 | H16 | 179.0° | 180.0° |
| C12 | C19 | C1 | C2 | 0.6° | 0.1° |
| C19 | C12 | O2 | C4 | 179.6° | 179.9° |
| C19 | C12 | C4 | C3 | 3.2° | 0.1° |
| C19 | C12 | C4 | O1 | 177.9° | 180.0° |
| C1 | C2 | C3 | H16 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C2 | C1 | C19 | H1 | 179.4° | 179.7° |
| C1 | C2 | C3 | H5 | 179.3° | 179.9° |
| O2 | C12 | C4 | C3 | 177.2° | 180.0° |
| O2 | C12 | C4 | O1 | 2.5° | 0.1° |
| O2 | C12 | C19 | H1 | 1.0° | 0.3° |
| C12 | O2 | C13 | H9 | 47.7° | 59.9° |
| C12 | O2 | C13 | H10 | 73.3° | 60.1° |
| C12 | C4 | C3 | C2 | 2.7° | 0.1° |
| C12 | C4 | C3 | O1 | 174.0° | 179.9° |
| C12 | C4 | O1 | C5 | 105.0° | 179.5° |
| C4 | C12 | C19 | H1 | 178.5° | 179.8° |
| C12 | C4 | C3 | H5 | 177.2° | 180.0° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | O1 | 176.7° | 180.0° |
| C3 | C4 | O1 | C5 | 80.6° | 0.6° |
| C4 | C3 | C2 | H16 | 179.3° | 179.9° |
| C4 | O1 | C5 | C11 | 8.5° | 90.3° |
| C4 | O1 | C5 | C6 | 170.6° | 90.0° |
| O1 | C4 | C3 | H5 | 3.2° | 0.1° |
| O1 | C5 | C11 | C6 | 179.0° | 179.7° |
| O1 | C5 | C11 | C10 | 179.8° | 179.7° |
| O1 | C5 | C6 | C7 | 179.2° | 179.7° |
| O1 | C5 | C6 | H6 | 0.8° | 0.3° |
| O1 | C5 | C11 | H8 | 0.2° | 0.3° |
| C5 | C11 | C10 | H8 | 180.0° | 179.9° |
| C5 | C11 | C10 | CL2 | 179.9° | 180.0° |
| C5 | C11 | C10 | C9 | 0.5° | 0.0° |
| C11 | C5 | C6 | C7 | 0.1° | 0.0° |
| C11 | C5 | C6 | H6 | 179.9° | 180.0° |
| C10 | C11 | C5 | C6 | 0.8° | 0.0° |
| C11 | C10 | CL2 | C9 | 179.7° | 180.0° |
| C11 | C10 | C9 | C7 | 0.5° | 0.0° |
| C11 | C10 | C9 | H7 | 179.5° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C9 | 0.9° | 0.0° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C6 | C5 | C11 | H8 | 179.2° | 180.0° |
| CL2 | C10 | C9 | C7 | 179.2° | 180.0° |
| CL2 | C10 | C9 | H7 | 0.8° | 0.0° |
| CL2 | C10 | C11 | H8 | 0.2° | 0.0° |
| C10 | C9 | C7 | C6 | 1.2° | 0.0° |
| C10 | C9 | C7 | H7 | 180.0° | 180.0° |
| C10 | C9 | C7 | C8 | 179.5° | 180.0° |
| C9 | C10 | C11 | H8 | 179.5° | 180.0° |
| C6 | C7 | C9 | C8 | 179.4° | 180.0° |
| C6 | C7 | C8 | N1 | 35.3° | 9.4° |
| C6 | C7 | C9 | H7 | 178.8° | 180.0° |
| C9 | C7 | C8 | N1 | 144.1° | 170.6° |
| C9 | C7 | C6 | H6 | 179.2° | 180.0° |
| C8 | C7 | C6 | H6 | 0.2° | 0.0° |
| C8 | C7 | C9 | H7 | 0.5° | 0.0° |
| H2 | C18 | C17 | H4 | 180.0° | 0.0° |
| H3 | C18 | C17 | H4 | 0.0° | 180.0° |
| H5 | C3 | C2 | H16 | 0.7° | 0.0° |
| H9 | C13 | C14 | H11 | 94.8° | 65.0° |
| H9 | C13 | C14 | H12 | 143.9° | 55.0° |
| H10 | C13 | C14 | H11 | 26.3° | 175.0° |
| H10 | C13 | C14 | H12 | 95.0° | 65.0° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
