VZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | doub | 1.22Å | 1.21Å | |
| O2 | C10 | sing | 1.34Å | 1.38Å | |
| O2 | C9 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | sing | 1.41Å | 1.44Å | |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.35Å | |
| C6 | O1 | sing | 1.43Å | 1.41Å | |
| C6 | C5 | sing | 1.51Å | 1.48Å | |
| O1 | C7 | sing | 1.36Å | 1.37Å | |
| C7 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.34Å | 1.36Å | Aromatic |
| N1 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.35Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | N | sing | 1.29Å | 1.34Å | Aromatic |
| C4 | N | sing | 1.35Å | 1.34Å | Aromatic |
| N | C3 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O4 | sing | 1.36Å | 1.39Å | |
| C19 | O4 | sing | 1.36Å | 1.38Å | |
| C19 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.38Å | Aromatic |
| C | O | sing | 1.36Å | 1.36Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| O | H19 | sing | 0.97Å | 0.95Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | O2 | 116.7° | 119.2° |
| O3 | C10 | C11 | 126.2° | 119.1° |
| C10 | O2 | C9 | 121.6° | 121.4° |
| O2 | C10 | C11 | 117.0° | 121.7° |
| O2 | C9 | C8 | 116.4° | 120.7° |
| O2 | C9 | C14 | 121.4° | 119.9° |
| C10 | C11 | C12 | 122.9° | 119.9° |
| C10 | C11 | H3 | 118.5° | 120.1° |
| C9 | C8 | C7 | 118.2° | 119.8° |
| C8 | C9 | C14 | 122.2° | 119.4° |
| C9 | C8 | H2 | 120.9° | 120.1° |
| C8 | C7 | O1 | 126.0° | 119.8° |
| C8 | C7 | C16 | 121.0° | 120.5° |
| C7 | C8 | H2 | 120.9° | 120.1° |
| C9 | C14 | C12 | 118.2° | 119.0° |
| C9 | C14 | C15 | 118.0° | 120.0° |
| C11 | C12 | C14 | 118.8° | 118.2° |
| C11 | C12 | C13 | 121.2° | 120.9° |
| C12 | C11 | H3 | 118.5° | 120.1° |
| O1 | C6 | C5 | 108.8° | 109.5° |
| C6 | O1 | C7 | 118.8° | 117.0° |
| O1 | C6 | H13 | 109.6° | 109.5° |
| O1 | C6 | H14 | 109.6° | 109.5° |
| C6 | C5 | N1 | 121.7° | 126.8° |
| C6 | C5 | C4 | 130.2° | 126.7° |
| C5 | C6 | H13 | 109.7° | 109.5° |
| C5 | C6 | H14 | 109.6° | 109.5° |
| O1 | C7 | C16 | 112.2° | 119.7° |
| C7 | C16 | C15 | 119.9° | 120.5° |
| C7 | C16 | H8 | 120.1° | 119.8° |
| C12 | C14 | C15 | 123.8° | 121.0° |
| C14 | C12 | C13 | 120.0° | 120.9° |
| C14 | C15 | C16 | 120.7° | 119.8° |
| C14 | C15 | H7 | 119.7° | 120.1° |
| C5 | N1 | N2 | 109.1° | 108.9° |
| N1 | C5 | C4 | 108.0° | 106.5° |
| N1 | N2 | N | 106.9° | 110.2° |
| C12 | C13 | H4 | 109.5° | 109.4° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.6° |
| C5 | C4 | N | 105.0° | 106.1° |
| C5 | C4 | H1 | 127.5° | 127.0° |
| C16 | C15 | H7 | 119.7° | 120.1° |
| C15 | C16 | H8 | 120.0° | 119.7° |
| N2 | N | C4 | 110.9° | 108.3° |
| N2 | N | C3 | 119.8° | 125.9° |
| C4 | N | C3 | 129.0° | 125.9° |
| N | C4 | H1 | 127.5° | 126.9° |
| N | C3 | C2 | 110.4° | 109.5° |
| N | C3 | H15 | 109.2° | 109.5° |
| N | C3 | H16 | 109.2° | 109.4° |
| C23 | C24 | C25 | 120.5° | 120.1° |
| C24 | C23 | C22 | 119.8° | 120.1° |
| C24 | C23 | H12 | 120.1° | 120.0° |
| C23 | C24 | H21 | 119.7° | 119.9° |
| C24 | C25 | C20 | 119.3° | 120.0° |
| C24 | C25 | H20 | 120.3° | 120.0° |
| C25 | C24 | H21 | 119.8° | 120.0° |
| C23 | C22 | C21 | 120.6° | 120.1° |
| C23 | C22 | H11 | 119.7° | 120.0° |
| C22 | C23 | H12 | 120.1° | 119.9° |
| C25 | C20 | C21 | 120.7° | 119.9° |
| C25 | C20 | O4 | 121.5° | 120.0° |
| C20 | C25 | H20 | 120.4° | 120.0° |
| C18 | C17 | C2 | 121.3° | 120.2° |
| C17 | C18 | C19 | 119.2° | 120.0° |
| C17 | C18 | H9 | 120.4° | 120.1° |
| C18 | C17 | H18 | 119.3° | 119.9° |
| C17 | C2 | C3 | 120.7° | 119.9° |
| C17 | C2 | C1 | 118.9° | 120.2° |
| C2 | C17 | H18 | 119.3° | 119.9° |
| C18 | C19 | O4 | 122.6° | 120.1° |
| C18 | C19 | C | 120.2° | 119.9° |
| C19 | C18 | H9 | 120.4° | 120.0° |
| C3 | C2 | C1 | 120.4° | 119.9° |
| C2 | C3 | H15 | 109.2° | 109.5° |
| C2 | C3 | H16 | 109.2° | 109.5° |
| C22 | C21 | C20 | 119.1° | 119.9° |
| C22 | C21 | H10 | 120.5° | 120.1° |
| C21 | C22 | H11 | 119.7° | 119.9° |
| C2 | C1 | C | 120.7° | 120.0° |
| C2 | C1 | H17 | 119.7° | 120.0° |
| C21 | C20 | O4 | 117.8° | 120.1° |
| C20 | C21 | H10 | 120.5° | 120.0° |
| C20 | O4 | C19 | 119.0° | 118.0° |
| O4 | C19 | C | 117.2° | 120.1° |
| C19 | C | C1 | 119.6° | 119.8° |
| C19 | C | O | 120.5° | 120.1° |
| C1 | C | O | 119.8° | 120.1° |
| C | C1 | H17 | 119.6° | 120.0° |
| C | O | H19 | 109.5° | 114.0° |
| H4 | C13 | H5 | 109.4° | 109.4° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H13 | C6 | H14 | 109.5° | 109.4° |
| H15 | C3 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | O2 | C11 | 177.8° | 179.9° |
| O3 | C10 | O2 | C9 | 177.0° | 179.9° |
| O3 | C10 | C11 | C12 | 177.0° | 180.0° |
| O3 | C10 | C11 | H3 | 3.0° | 0.0° |
| C10 | O2 | C9 | C8 | 179.1° | 180.0° |
| C10 | O2 | C9 | C14 | 0.7° | 0.1° |
| O2 | C10 | C11 | C12 | 0.6° | 0.1° |
| O2 | C10 | C11 | H3 | 179.4° | 179.9° |
| C9 | O2 | C10 | C11 | 0.8° | 0.1° |
| O2 | C9 | C8 | C14 | 179.8° | 179.9° |
| O2 | C9 | C8 | C7 | 179.6° | 180.0° |
| O2 | C9 | C14 | C12 | 0.1° | 0.1° |
| O2 | C9 | C14 | C15 | 178.9° | 180.0° |
| O2 | C9 | C8 | H2 | 0.4° | 0.0° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 0.1° | 0.1° |
| C10 | C11 | C12 | C13 | 179.0° | 180.0° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | O1 | 166.3° | 179.7° |
| C9 | C8 | C7 | C16 | 2.4° | 0.0° |
| C8 | C9 | C14 | C12 | 179.6° | 180.0° |
| C8 | C9 | C14 | C15 | 0.8° | 0.1° |
| C7 | C8 | C9 | C14 | 0.7° | 0.1° |
| C8 | C7 | O1 | C6 | 62.0° | 179.8° |
| C8 | C7 | O1 | C16 | 169.6° | 179.8° |
| C8 | C7 | C16 | C15 | 2.6° | 0.0° |
| C8 | C7 | C16 | H8 | 177.4° | 180.0° |
| C9 | C14 | C12 | C11 | 0.1° | 0.1° |
| C9 | C14 | C12 | C15 | 178.7° | 179.9° |
| C9 | C14 | C12 | C13 | 179.2° | 180.0° |
| C9 | C14 | C15 | C16 | 0.6° | 0.1° |
| C14 | C9 | C8 | H2 | 179.4° | 180.0° |
| C9 | C14 | C15 | H7 | 179.4° | 180.0° |
| C11 | C12 | C14 | C13 | 179.1° | 179.9° |
| C11 | C12 | C14 | C15 | 178.6° | 180.0° |
| C11 | C12 | C13 | H4 | 180.0° | 0.1° |
| C11 | C12 | C13 | H5 | 60.0° | 120.0° |
| C11 | C12 | C13 | H6 | 60.0° | 120.0° |
| O1 | C6 | C5 | H13 | 119.9° | 120.0° |
| O1 | C6 | C5 | H14 | 119.9° | 120.0° |
| C6 | O1 | C7 | C16 | 128.5° | 0.0° |
| O1 | C6 | C5 | N1 | 133.1° | 180.0° |
| O1 | C6 | C5 | C4 | 51.7° | 0.1° |
| O1 | C6 | H13 | H14 | 120.3° | 120.0° |
| C5 | C6 | O1 | C7 | 65.5° | 180.0° |
| C6 | C5 | N1 | C4 | 176.2° | 180.0° |
| C6 | C5 | N1 | N2 | 175.2° | 180.0° |
| C6 | C5 | C4 | N | 174.3° | 180.0° |
| C6 | C5 | C4 | H1 | 5.6° | 0.1° |
| C5 | C6 | H13 | H14 | 120.3° | 120.0° |
| O1 | C7 | C16 | C15 | 167.5° | 179.7° |
| O1 | C7 | C8 | H2 | 13.7° | 0.3° |
| O1 | C7 | C16 | H8 | 12.5° | 0.3° |
| C7 | O1 | C6 | H13 | 174.6° | 60.0° |
| C7 | O1 | C6 | H14 | 54.4° | 60.0° |
| C7 | C16 | C15 | C14 | 1.1° | 0.1° |
| C7 | C16 | C15 | H8 | 180.0° | 180.0° |
| C16 | C7 | C8 | H2 | 177.6° | 180.0° |
| C7 | C16 | C15 | H7 | 178.9° | 180.0° |
| C12 | C14 | C15 | C16 | 179.3° | 180.0° |
| C14 | C12 | C11 | H3 | 179.9° | 179.9° |
| C14 | C12 | C13 | H4 | 0.9° | 180.0° |
| C14 | C12 | C13 | H5 | 119.1° | 60.1° |
| C14 | C12 | C13 | H6 | 120.9° | 59.9° |
| C12 | C14 | C15 | H7 | 0.7° | 0.0° |
| C15 | C14 | C12 | C13 | 0.5° | 0.1° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H8 | 178.9° | 180.0° |
| C5 | N1 | N2 | N | 0.2° | 0.0° |
| N1 | C5 | C4 | N | 1.4° | 0.0° |
| N1 | C5 | C4 | H1 | 178.7° | 180.0° |
| N1 | C5 | C6 | H13 | 107.0° | 60.0° |
| N1 | C5 | C6 | H14 | 13.2° | 60.0° |
| N2 | N1 | C5 | C4 | 1.0° | 0.0° |
| N1 | N2 | N | C4 | 0.7° | 0.0° |
| N1 | N2 | N | C3 | 173.7° | 180.0° |
| C13 | C12 | C11 | H3 | 1.0° | 0.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 120.1° |
| C12 | C13 | H5 | H6 | 120.0° | 120.1° |
| C5 | C4 | N | N2 | 1.3° | 0.0° |
| C5 | C4 | N | H1 | 180.0° | 180.0° |
| C5 | C4 | N | C3 | 172.5° | 180.0° |
| C4 | C5 | C6 | H13 | 68.2° | 120.1° |
| C4 | C5 | C6 | H14 | 171.6° | 120.0° |
| N2 | N | C4 | C3 | 173.8° | 180.0° |
| N2 | N | C3 | C2 | 94.1° | 55.0° |
| N2 | N | C4 | H1 | 178.7° | 180.0° |
| N2 | N | C3 | H15 | 26.0° | 175.0° |
| N2 | N | C3 | H16 | 145.7° | 65.0° |
| C4 | N | C3 | C2 | 79.2° | 125.0° |
| C4 | N | C3 | H15 | 160.7° | 5.0° |
| C4 | N | C3 | H16 | 41.0° | 115.0° |
| N | C3 | C2 | C17 | 68.2° | 90.3° |
| N | C3 | C2 | H15 | 120.2° | 120.0° |
| N | C3 | C2 | H16 | 120.2° | 120.0° |
| N | C3 | C2 | C1 | 110.0° | 90.0° |
| C3 | N | C4 | H1 | 7.5° | 0.0° |
| N | C3 | H15 | H16 | 119.5° | 120.0° |
| C23 | C24 | C25 | H21 | 180.0° | 179.8° |
| C24 | C23 | C22 | H12 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 0.6° | 0.5° |
| C24 | C23 | C22 | C21 | 1.0° | 0.1° |
| C24 | C23 | C22 | H11 | 179.0° | 180.0° |
| C23 | C24 | C25 | H20 | 179.4° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.3° |
| C24 | C25 | C20 | H20 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.8° | 0.5° |
| C24 | C25 | C20 | O4 | 179.1° | 179.8° |
| C25 | C24 | C23 | H12 | 179.8° | 179.8° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.8° | 0.1° |
| C23 | C22 | C21 | H10 | 179.2° | 179.9° |
| C22 | C23 | C24 | H21 | 179.7° | 180.0° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C25 | C20 | C21 | O4 | 179.9° | 179.7° |
| C25 | C20 | O4 | C19 | 1.1° | 90.0° |
| C25 | C20 | C21 | H10 | 179.9° | 179.7° |
| C20 | C25 | C24 | H21 | 179.4° | 179.7° |
| C18 | C17 | C2 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.1° |
| C18 | C17 | C2 | C3 | 178.7° | 179.7° |
| C18 | C17 | C2 | C1 | 0.5° | 0.0° |
| C17 | C18 | C19 | O4 | 177.6° | 179.2° |
| C17 | C18 | C19 | C | 0.8° | 0.8° |
| C2 | C17 | C18 | C19 | 0.3° | 0.6° |
| C17 | C2 | C3 | C1 | 178.1° | 179.7° |
| C17 | C2 | C1 | C | 0.3° | 0.3° |
| C2 | C17 | C18 | H9 | 179.7° | 179.7° |
| C17 | C2 | C3 | H15 | 52.0° | 29.8° |
| C17 | C2 | C3 | H16 | 171.7° | 149.8° |
| C17 | C2 | C1 | H17 | 179.7° | 179.8° |
| C18 | C19 | O4 | C20 | 95.0° | 0.4° |
| C18 | C19 | O4 | C | 178.4° | 180.0° |
| C18 | C19 | C | C1 | 1.6° | 0.5° |
| C18 | C19 | C | O | 175.1° | 180.0° |
| C19 | C18 | C17 | H18 | 179.7° | 179.5° |
| C3 | C2 | C1 | C | 177.9° | 180.0° |
| C2 | C3 | H15 | H16 | 119.6° | 120.0° |
| C3 | C2 | C1 | H17 | 2.1° | 0.1° |
| C3 | C2 | C17 | H18 | 1.3° | 0.2° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | O4 | 179.9° | 180.0° |
| C21 | C22 | C23 | H12 | 179.0° | 180.0° |
| C2 | C1 | C | C19 | 1.3° | 0.1° |
| C2 | C1 | C | H17 | 180.0° | 179.9° |
| C2 | C1 | C | O | 175.4° | 179.5° |
| C1 | C2 | C3 | H15 | 129.9° | 150.0° |
| C1 | C2 | C3 | H16 | 10.2° | 30.0° |
| C1 | C2 | C17 | H18 | 179.5° | 180.0° |
| C21 | C20 | O4 | C19 | 178.8° | 90.2° |
| C20 | C21 | C22 | H11 | 179.1° | 180.0° |
| C21 | C20 | C25 | H20 | 179.2° | 180.0° |
| C20 | O4 | C19 | C | 86.6° | 179.6° |
| O4 | C20 | C21 | H10 | 0.2° | 0.1° |
| O4 | C20 | C25 | H20 | 0.9° | 0.3° |
| O4 | C19 | C | C1 | 176.9° | 179.5° |
| O4 | C19 | C | O | 6.5° | 0.0° |
| O4 | C19 | C18 | H9 | 2.4° | 0.1° |
| C19 | C | C1 | O | 176.7° | 179.5° |
| C | C19 | C18 | H9 | 179.2° | 180.0° |
| C19 | C | C1 | H17 | 178.7° | 180.0° |
| C19 | C | O | H19 | 180.0° | 90.0° |
| C1 | C | O | H19 | 3.3° | 89.5° |
| O | C | C1 | H17 | 4.6° | 0.5° |
| H4 | C13 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | C16 | H8 | 1.1° | 0.0° |
| H9 | C18 | C17 | H18 | 0.3° | 0.3° |
| H10 | C21 | C22 | H11 | 0.9° | 0.0° |
| H11 | C22 | C23 | H12 | 1.0° | 0.1° |
| H12 | C23 | C24 | H21 | 0.3° | 0.0° |
| H20 | C25 | C24 | H21 | 0.6° | 0.2° |
