VNY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | doub | 1.33Å | 1.36Å | |
| C8 | C21 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | sing | 1.48Å | 1.51Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HC | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 110.3° | 109.5° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| O6 | C6 | H61C | 109.2° | 109.4° |
| O6 | C6 | H62C | 109.3° | 109.5° |
| C6 | C5 | O5 | 105.9° | 109.6° |
| C6 | C5 | C4 | 112.8° | 109.4° |
| C5 | C6 | H61C | 109.2° | 109.5° |
| C5 | C6 | H62C | 109.2° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| O5 | C5 | C4 | 111.2° | 109.4° |
| C5 | O5 | C1 | 114.1° | 114.1° |
| O5 | C5 | H5 | 109.8° | 109.5° |
| C5 | C4 | O4 | 109.1° | 109.6° |
| C5 | C4 | C3 | 108.4° | 109.2° |
| C4 | C5 | H5 | 108.5° | 109.4° |
| C5 | C4 | H4 | 109.6° | 109.5° |
| O5 | C1 | C2 | 110.0° | 109.4° |
| O5 | C1 | C7 | 108.1° | 109.5° |
| O5 | C1 | H1 | 109.6° | 109.5° |
| O4 | C4 | C3 | 108.8° | 109.5° |
| O4 | C4 | H4 | 111.0° | 109.5° |
| C4 | O4 | HA | 109.5° | 114.0° |
| C4 | C3 | O3 | 108.7° | 109.6° |
| C4 | C3 | C2 | 110.6° | 109.0° |
| C3 | C4 | H4 | 109.8° | 109.6° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| O3 | C3 | C2 | 110.3° | 109.5° |
| O3 | C3 | H3 | 109.9° | 109.6° |
| C3 | O3 | HB | 109.5° | 114.0° |
| C3 | C2 | O2 | 107.8° | 109.5° |
| C3 | C2 | C1 | 112.5° | 109.2° |
| C2 | C3 | H3 | 108.6° | 109.6° |
| C3 | C2 | H2 | 109.5° | 109.4° |
| O2 | C2 | C1 | 106.8° | 109.6° |
| O2 | C2 | H2 | 110.7° | 109.5° |
| C2 | O2 | HC | 109.5° | 114.0° |
| C2 | C1 | C7 | 112.3° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.6° |
| C1 | C7 | C8 | 121.4° | 120.0° |
| C7 | C1 | H1 | 108.3° | 109.5° |
| C1 | C7 | H7 | 119.3° | 120.0° |
| C7 | C8 | C21 | 117.7° | 120.0° |
| C7 | C8 | C9 | 122.4° | 120.0° |
| C8 | C7 | H7 | 119.3° | 119.9° |
| C21 | C8 | C9 | 119.8° | 120.0° |
| C8 | C21 | H211 | 109.5° | 109.5° |
| C8 | C21 | H212 | 109.5° | 109.5° |
| C8 | C21 | H213 | 109.5° | 109.5° |
| C8 | C9 | C10 | 122.3° | 120.0° |
| C8 | C9 | C14 | 119.7° | 120.0° |
| C10 | C9 | C14 | 117.9° | 120.0° |
| C9 | C10 | C11 | 121.1° | 120.0° |
| C9 | C10 | H10 | 119.4° | 120.1° |
| C9 | C14 | C13 | 120.9° | 119.9° |
| C9 | C14 | H14 | 119.6° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C11 | C10 | H10 | 119.5° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 118.8° | 120.0° |
| C11 | C12 | C15 | 119.7° | 120.0° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C13 | C12 | C15 | 121.5° | 120.0° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C12 | C13 | H13 | 119.6° | 120.0° |
| C12 | C15 | C20 | 120.7° | 120.1° |
| C12 | C15 | C16 | 119.8° | 120.1° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C14 | C13 | H13 | 119.6° | 119.9° |
| C20 | C15 | C16 | 119.4° | 119.8° |
| C15 | C20 | C19 | 120.4° | 119.9° |
| C15 | C20 | H20 | 119.8° | 120.0° |
| C15 | C16 | C17 | 120.4° | 119.9° |
| C15 | C16 | H16 | 119.8° | 120.1° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C19 | C20 | H20 | 119.8° | 120.1° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | C17 | 119.4° | 120.3° |
| C18 | C19 | H19 | 119.9° | 119.9° |
| C19 | C18 | H18 | 120.3° | 119.8° |
| C18 | C17 | C16 | 120.3° | 120.1° |
| C17 | C18 | H18 | 120.3° | 119.9° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61C | 120.1° | 119.9° |
| O6 | C6 | C5 | H62C | 120.1° | 120.0° |
| O6 | C6 | C5 | O5 | 60.3° | 65.0° |
| O6 | C6 | C5 | C4 | 61.5° | 175.0° |
| O6 | C6 | H61C | H62C | 119.6° | 120.0° |
| O6 | C6 | C5 | H5 | 178.2° | 55.1° |
| C6 | C5 | O5 | C4 | 122.8° | 120.0° |
| C6 | C5 | O5 | H5 | 117.1° | 120.1° |
| C6 | C5 | C4 | H5 | 120.4° | 120.0° |
| C6 | C5 | O5 | C1 | 175.9° | 178.9° |
| C6 | C5 | C4 | O4 | 64.3° | 62.5° |
| C6 | C5 | C4 | C3 | 177.4° | 177.6° |
| C5 | C6 | O6 | H6 | 180.0° | 179.9° |
| C5 | C6 | H61C | H62C | 119.6° | 120.1° |
| C6 | C5 | C4 | H4 | 57.5° | 57.7° |
| O5 | C5 | C4 | H5 | 120.9° | 120.0° |
| O5 | C5 | C4 | O4 | 177.0° | 177.5° |
| O5 | C5 | C4 | C3 | 58.6° | 57.6° |
| C5 | O5 | C1 | C2 | 56.1° | 61.2° |
| C5 | O5 | C1 | C7 | 66.9° | 58.8° |
| O5 | C5 | C6 | H61C | 179.6° | 54.9° |
| O5 | C5 | C6 | H62C | 59.9° | 175.0° |
| O5 | C5 | C4 | H4 | 61.2° | 62.4° |
| C5 | O5 | C1 | H1 | 175.2° | 178.8° |
| C4 | C5 | O5 | C1 | 61.3° | 61.1° |
| C5 | C4 | O4 | C3 | 118.1° | 119.7° |
| C5 | C4 | O4 | H4 | 121.0° | 120.1° |
| C5 | C4 | C3 | H4 | 119.7° | 119.9° |
| C5 | C4 | C3 | O3 | 175.4° | 176.8° |
| C5 | C4 | C3 | C2 | 54.2° | 56.9° |
| C4 | C5 | C6 | H61C | 58.6° | 65.1° |
| C4 | C5 | C6 | H62C | 178.3° | 55.0° |
| C5 | C4 | O4 | HA | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 65.0° | 63.0° |
| O5 | C1 | C2 | C3 | 51.0° | 57.7° |
| O5 | C1 | C2 | O2 | 67.2° | 62.3° |
| O5 | C1 | C2 | C7 | 120.4° | 120.0° |
| O5 | C1 | C2 | H1 | 119.8° | 120.0° |
| O5 | C1 | C7 | H1 | 118.7° | 120.0° |
| O5 | C1 | C7 | C8 | 63.1° | 113.9° |
| C1 | O5 | C5 | H5 | 58.8° | 58.8° |
| O5 | C1 | C2 | H2 | 172.9° | 177.5° |
| O5 | C1 | C7 | H7 | 116.9° | 66.1° |
| O4 | C4 | C3 | H4 | 121.7° | 120.1° |
| O4 | C4 | C3 | O3 | 66.0° | 63.3° |
| O4 | C4 | C3 | C2 | 172.7° | 176.9° |
| O4 | C4 | C5 | H5 | 56.1° | 57.5° |
| O4 | C4 | C3 | H3 | 53.5° | 56.9° |
| C4 | C3 | O3 | C2 | 121.4° | 119.5° |
| C4 | C3 | O3 | H3 | 118.9° | 120.2° |
| C4 | C3 | C2 | H3 | 119.3° | 119.9° |
| C4 | C3 | C2 | O2 | 65.4° | 63.0° |
| C4 | C3 | C2 | C1 | 52.1° | 57.0° |
| C3 | C4 | C5 | H5 | 62.2° | 62.4° |
| C3 | C4 | O4 | HA | 61.9° | 60.4° |
| C4 | C3 | O3 | HB | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 174.1° | 176.9° |
| O3 | C3 | C2 | H3 | 120.4° | 120.3° |
| O3 | C3 | C2 | O2 | 54.9° | 56.9° |
| O3 | C3 | C2 | C1 | 172.4° | 176.9° |
| O3 | C3 | C4 | H4 | 55.6° | 56.9° |
| O3 | C3 | C2 | H2 | 65.6° | 63.2° |
| C3 | C2 | O2 | C1 | 121.1° | 119.7° |
| C3 | C2 | O2 | H2 | 119.7° | 120.0° |
| C3 | C2 | C1 | H2 | 121.9° | 119.8° |
| C3 | C2 | C1 | C7 | 69.5° | 62.3° |
| C2 | C3 | C4 | H4 | 65.6° | 63.0° |
| C3 | C2 | C1 | H1 | 170.8° | 177.6° |
| C2 | C3 | O3 | HB | 58.5° | 60.4° |
| C3 | C2 | O2 | HC | 180.0° | 180.0° |
| O2 | C2 | C1 | H2 | 119.9° | 120.2° |
| O2 | C2 | C1 | C7 | 172.4° | 177.7° |
| O2 | C2 | C1 | H1 | 52.7° | 57.7° |
| O2 | C2 | C3 | H3 | 175.3° | 177.1° |
| C2 | C1 | C7 | H1 | 119.8° | 120.0° |
| C2 | C1 | C7 | C8 | 175.3° | 126.1° |
| C1 | C2 | C3 | H3 | 67.2° | 62.9° |
| C1 | C2 | O2 | HC | 58.8° | 60.3° |
| C2 | C1 | C7 | H7 | 4.7° | 53.8° |
| C1 | C7 | C8 | H7 | 180.0° | 179.9° |
| C1 | C7 | C8 | C21 | 1.9° | 6.2° |
| C1 | C7 | C8 | C9 | 175.9° | 173.9° |
| C7 | C1 | C2 | H2 | 52.5° | 57.5° |
| C7 | C8 | C21 | C9 | 177.9° | 179.9° |
| C7 | C8 | C9 | C10 | 159.9° | 114.9° |
| C7 | C8 | C9 | C14 | 24.9° | 65.3° |
| C8 | C7 | C1 | H1 | 55.5° | 6.1° |
| C7 | C8 | C21 | H211 | 180.0° | 85.2° |
| C7 | C8 | C21 | H212 | 60.0° | 154.8° |
| C7 | C8 | C21 | H213 | 60.0° | 34.8° |
| C21 | C8 | C9 | C10 | 22.4° | 65.0° |
| C21 | C8 | C9 | C14 | 152.8° | 114.8° |
| C21 | C8 | C7 | H7 | 178.1° | 173.9° |
| C8 | C21 | H211 | H212 | 120.0° | 120.0° |
| C8 | C21 | H211 | H213 | 120.0° | 120.1° |
| C8 | C21 | H212 | H213 | 120.0° | 120.1° |
| C8 | C9 | C10 | C14 | 175.3° | 179.8° |
| C8 | C9 | C10 | C11 | 178.6° | 179.9° |
| C8 | C9 | C14 | C13 | 178.5° | 179.8° |
| C9 | C8 | C7 | H7 | 4.1° | 6.1° |
| C9 | C8 | C21 | H211 | 2.1° | 94.8° |
| C9 | C8 | C21 | H212 | 117.9° | 25.1° |
| C9 | C8 | C21 | H213 | 122.1° | 145.1° |
| C8 | C9 | C10 | H10 | 1.5° | 0.0° |
| C8 | C9 | C14 | H14 | 1.5° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 2.3° | 0.1° |
| C10 | C9 | C14 | C13 | 3.1° | 0.5° |
| C10 | C9 | C14 | H14 | 177.0° | 179.8° |
| C9 | C10 | C11 | H11 | 177.8° | 180.0° |
| C14 | C9 | C10 | C11 | 3.3° | 0.2° |
| C9 | C14 | C13 | C12 | 1.8° | 0.5° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C9 | C10 | H10 | 176.7° | 179.7° |
| C9 | C14 | C13 | H13 | 178.2° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C10 | C11 | C12 | C15 | 179.2° | 179.9° |
| C11 | C12 | C13 | C15 | 178.3° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.3° |
| C11 | C12 | C15 | C20 | 34.6° | 180.0° |
| C11 | C12 | C15 | C16 | 142.7° | 0.3° |
| C12 | C11 | C10 | H10 | 177.8° | 180.0° |
| C11 | C12 | C13 | H13 | 179.3° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C13 | C12 | C15 | C20 | 147.1° | 0.0° |
| C13 | C12 | C15 | C16 | 35.5° | 179.7° |
| C12 | C13 | C14 | H14 | 178.2° | 179.8° |
| C13 | C12 | C11 | H11 | 179.1° | 179.9° |
| C15 | C12 | C13 | C14 | 178.9° | 179.8° |
| C12 | C15 | C20 | C16 | 177.4° | 179.7° |
| C12 | C15 | C20 | C19 | 178.3° | 180.0° |
| C12 | C15 | C16 | C17 | 178.7° | 179.7° |
| C15 | C12 | C11 | H11 | 0.8° | 0.0° |
| C15 | C12 | C13 | H13 | 1.1° | 0.0° |
| C12 | C15 | C20 | H20 | 1.7° | 0.1° |
| C12 | C15 | C16 | H16 | 1.3° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.1° | 0.1° |
| C20 | C15 | C16 | C17 | 1.3° | 0.6° |
| C20 | C15 | C16 | H16 | 178.7° | 179.7° |
| C15 | C20 | C19 | H19 | 179.9° | 179.9° |
| C16 | C15 | C20 | C19 | 0.9° | 0.3° |
| C15 | C16 | C17 | C18 | 0.8° | 0.6° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C16 | C15 | C20 | H20 | 179.1° | 179.8° |
| C15 | C16 | C17 | H17 | 179.2° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.1° |
| C20 | C19 | C18 | H18 | 179.5° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C18 | C17 | C16 | H16 | 179.2° | 179.7° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.8° |
| H6 | O6 | C6 | H61C | 59.9° | 60.0° |
| H6 | O6 | C6 | H62C | 59.9° | 60.0° |
| H61C | C6 | C5 | H5 | 61.7° | 175.0° |
| H62C | C6 | C5 | H5 | 58.0° | 64.9° |
| H5 | C5 | C4 | H4 | 177.9° | 177.6° |
| H4 | C4 | O4 | HA | 59.0° | 59.8° |
| H4 | C4 | C3 | H3 | 175.2° | 177.1° |
| H1 | C1 | C2 | H2 | 67.3° | 62.5° |
| H1 | C1 | C7 | H7 | 124.5° | 173.8° |
| H3 | C3 | O3 | HB | 61.1° | 59.9° |
| H3 | C3 | C2 | H2 | 54.8° | 57.0° |
| H2 | C2 | O2 | HC | 60.3° | 60.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 2.2° | 0.1° |
| H14 | C14 | C13 | H13 | 1.8° | 0.0° |
| H20 | C20 | C19 | H19 | 0.1° | 0.1° |
| H16 | C16 | C17 | H17 | 0.8° | 0.1° |
| H19 | C19 | C18 | H18 | 0.5° | 0.0° |
| H18 | C18 | C17 | H17 | 0.1° | 0.0° |
