VIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| O2 | C12 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.36Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.37Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.40Å | 1.44Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | C14 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| C8 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C20 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | O3 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C19 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O1 | 107.5° | 109.4° |
| C10 | C11 | H4 | 109.5° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.4° |
| C10 | C11 | H6 | 109.4° | 109.5° |
| C11 | C10 | H9 | 110.0° | 109.4° |
| C11 | C10 | H10 | 110.0° | 109.5° |
| C10 | O1 | C2 | 118.0° | 117.0° |
| O1 | C10 | H9 | 110.0° | 109.5° |
| O1 | C10 | H10 | 109.9° | 109.5° |
| O1 | C2 | C3 | 114.1° | 119.6° |
| O1 | C2 | C1 | 125.8° | 119.6° |
| C12 | O2 | C3 | 118.6° | 117.0° |
| O2 | C12 | C13 | 107.9° | 109.5° |
| O2 | C12 | H11 | 109.9° | 109.5° |
| O2 | C12 | H12 | 109.9° | 109.5° |
| O2 | C3 | C2 | 114.0° | 119.5° |
| O2 | C3 | C4 | 125.9° | 119.5° |
| C13 | C12 | H11 | 109.9° | 109.5° |
| C13 | C12 | H12 | 109.9° | 109.4° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.4° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C3 | C2 | C1 | 120.1° | 120.8° |
| C2 | C3 | C4 | 120.2° | 120.9° |
| C2 | C1 | C6 | 120.7° | 119.6° |
| C2 | C1 | H16 | 119.7° | 120.3° |
| C3 | C4 | C5 | 120.6° | 119.6° |
| C3 | C4 | H1 | 119.7° | 120.2° |
| C1 | C6 | C5 | 119.2° | 119.6° |
| C1 | C6 | C9 | 123.2° | 122.2° |
| C6 | C1 | H16 | 119.6° | 120.2° |
| C4 | C5 | C6 | 119.3° | 119.5° |
| C4 | C5 | C7 | 121.8° | 122.0° |
| C5 | C4 | H1 | 119.7° | 120.2° |
| C5 | C6 | C9 | 117.6° | 118.2° |
| C6 | C5 | C7 | 119.0° | 118.6° |
| C6 | C9 | C8 | 119.5° | 118.7° |
| C6 | C9 | H8 | 120.2° | 120.7° |
| C5 | C7 | C14 | 122.0° | 120.0° |
| C5 | C7 | N1 | 121.4° | 119.9° |
| C9 | C8 | N1 | 123.9° | 121.9° |
| C9 | C8 | H7 | 118.0° | 119.1° |
| C8 | C9 | H8 | 120.3° | 120.6° |
| C14 | C7 | N1 | 116.7° | 120.0° |
| C7 | C14 | C15 | 111.7° | 109.5° |
| C7 | C14 | H2 | 108.9° | 109.5° |
| C7 | C14 | H3 | 108.9° | 109.5° |
| C7 | N1 | C8 | 118.6° | 122.7° |
| N1 | C8 | H7 | 118.0° | 119.0° |
| C14 | C15 | C20 | 121.1° | 119.9° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | H2 | 108.9° | 109.4° |
| C15 | C14 | H3 | 108.9° | 109.4° |
| C15 | C20 | C19 | 120.5° | 120.0° |
| C20 | C15 | C16 | 118.9° | 120.1° |
| C15 | C20 | H19 | 119.8° | 120.0° |
| C20 | C19 | O3 | 126.2° | 120.1° |
| C20 | C19 | C18 | 119.6° | 119.9° |
| C19 | C20 | H19 | 119.8° | 120.0° |
| C22 | C21 | O3 | 107.0° | 109.5° |
| C22 | C21 | H20 | 110.1° | 109.5° |
| C22 | C21 | H21 | 110.1° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H23 | 109.4° | 109.5° |
| C21 | C22 | H24 | 109.5° | 109.4° |
| C21 | O3 | C19 | 118.7° | 117.0° |
| O3 | C21 | H20 | 110.1° | 109.4° |
| O3 | C21 | H21 | 110.1° | 109.5° |
| C15 | C16 | C17 | 121.5° | 120.2° |
| C15 | C16 | H17 | 119.3° | 119.9° |
| O3 | C19 | C18 | 114.2° | 120.1° |
| C19 | C18 | C17 | 120.1° | 119.8° |
| C19 | C18 | O4 | 115.3° | 120.1° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C17 | C16 | H17 | 119.2° | 120.0° |
| C16 | C17 | H18 | 120.3° | 120.0° |
| C17 | C18 | O4 | 124.6° | 120.1° |
| C18 | C17 | H18 | 120.3° | 120.0° |
| C18 | O4 | C23 | 117.7° | 117.0° |
| O4 | C23 | C24 | 107.5° | 109.5° |
| O4 | C23 | H25 | 110.0° | 109.5° |
| O4 | C23 | H26 | 110.0° | 109.5° |
| C24 | C23 | H25 | 109.9° | 109.5° |
| C24 | C23 | H26 | 110.0° | 109.4° |
| C23 | C24 | H27 | 109.5° | 109.5° |
| C23 | C24 | H28 | 109.5° | 109.5° |
| C23 | C24 | H29 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.4° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H22 | C22 | H24 | 109.5° | 109.4° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H27 | C24 | H29 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O1 | H9 | 119.7° | 120.0° |
| C11 | C10 | O1 | H10 | 119.7° | 120.0° |
| C11 | C10 | O1 | C2 | 169.1° | 180.0° |
| C10 | C11 | H4 | H5 | 120.0° | 120.0° |
| C10 | C11 | H4 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C10 | H9 | H10 | 120.9° | 120.0° |
| C10 | O1 | C2 | C3 | 174.3° | 180.0° |
| C10 | O1 | C2 | C1 | 4.5° | 0.6° |
| O1 | C10 | C11 | H4 | 180.0° | 60.0° |
| O1 | C10 | C11 | H5 | 60.0° | 60.0° |
| O1 | C10 | C11 | H6 | 60.0° | 180.0° |
| O1 | C10 | H9 | H10 | 120.9° | 120.0° |
| O1 | C2 | C3 | O2 | 1.3° | 0.0° |
| O1 | C2 | C3 | C1 | 178.9° | 179.4° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| O1 | C2 | C1 | C6 | 179.4° | 179.7° |
| C2 | O1 | C10 | H9 | 49.4° | 60.0° |
| C2 | O1 | C10 | H10 | 71.2° | 60.0° |
| O1 | C2 | C1 | H16 | 0.6° | 0.3° |
| O2 | C12 | C13 | H11 | 119.7° | 120.0° |
| O2 | C12 | C13 | H12 | 119.8° | 120.0° |
| C12 | O2 | C3 | C2 | 176.2° | 180.0° |
| C12 | O2 | C3 | C4 | 5.1° | 0.0° |
| O2 | C12 | H11 | H12 | 120.8° | 120.0° |
| O2 | C12 | C13 | H13 | 180.0° | 180.0° |
| O2 | C12 | C13 | H14 | 60.0° | 60.0° |
| O2 | C12 | C13 | H15 | 60.0° | 60.0° |
| C3 | O2 | C12 | C13 | 84.9° | 180.0° |
| O2 | C3 | C2 | C4 | 178.8° | 180.0° |
| O2 | C3 | C2 | C1 | 179.9° | 179.4° |
| O2 | C3 | C4 | C5 | 179.5° | 180.0° |
| O2 | C3 | C4 | H1 | 0.5° | 0.3° |
| C3 | O2 | C12 | H11 | 34.8° | 60.0° |
| C3 | O2 | C12 | H12 | 155.3° | 60.0° |
| C13 | C12 | H11 | H12 | 120.7° | 120.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H15 | 120.0° | 119.9° |
| C3 | C2 | C1 | C6 | 0.7° | 0.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H1 | 179.1° | 179.7° |
| C3 | C2 | C1 | H16 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 1.1° | 0.6° |
| C2 | C1 | C6 | H16 | 180.0° | 179.4° |
| C2 | C1 | C6 | C5 | 0.1° | 0.6° |
| C2 | C1 | C6 | C9 | 179.8° | 179.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | C7 | 179.3° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | C9 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.7° | 180.0° |
| C1 | C6 | C9 | C8 | 179.8° | 180.0° |
| C1 | C6 | C9 | H8 | 0.2° | 0.0° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C6 | C9 | 180.0° | 180.0° |
| C4 | C5 | C7 | C14 | 0.5° | 0.0° |
| C4 | C5 | C7 | N1 | 179.9° | 180.0° |
| C5 | C6 | C9 | C8 | 0.2° | 0.0° |
| C6 | C5 | C7 | C14 | 179.8° | 180.0° |
| C6 | C5 | C7 | N1 | 0.3° | 0.0° |
| C6 | C5 | C4 | H1 | 179.7° | 180.0° |
| C5 | C6 | C9 | H8 | 179.8° | 180.0° |
| C5 | C6 | C1 | H16 | 179.9° | 180.0° |
| C9 | C6 | C5 | C7 | 0.3° | 0.0° |
| C6 | C9 | C8 | H8 | 180.0° | 180.0° |
| C6 | C9 | C8 | N1 | 0.1° | 0.0° |
| C6 | C9 | C8 | H7 | 179.9° | 180.0° |
| C9 | C6 | C1 | H16 | 0.2° | 0.0° |
| C5 | C7 | C14 | N1 | 179.6° | 180.0° |
| C5 | C7 | N1 | C8 | 0.1° | 0.0° |
| C5 | C7 | C14 | C15 | 100.2° | 90.0° |
| C7 | C5 | C4 | H1 | 0.7° | 0.0° |
| C5 | C7 | C14 | H2 | 20.1° | 150.0° |
| C5 | C7 | C14 | H3 | 139.4° | 30.0° |
| C9 | C8 | N1 | C7 | 0.0° | 0.0° |
| C9 | C8 | N1 | H7 | 180.0° | 180.0° |
| C14 | C7 | N1 | C8 | 179.7° | 180.0° |
| C7 | C14 | C15 | H2 | 120.3° | 120.0° |
| C7 | C14 | C15 | H3 | 120.3° | 120.0° |
| C7 | C14 | C15 | C20 | 121.5° | 90.3° |
| C7 | C14 | C15 | C16 | 58.0° | 90.0° |
| C7 | C14 | H2 | H3 | 119.0° | 120.0° |
| N1 | C7 | C14 | C15 | 79.3° | 90.0° |
| N1 | C7 | C14 | H2 | 160.3° | 30.0° |
| N1 | C7 | C14 | H3 | 41.0° | 150.0° |
| C7 | N1 | C8 | H7 | 180.0° | 180.0° |
| N1 | C8 | C9 | H8 | 179.9° | 180.0° |
| C14 | C15 | C20 | C16 | 179.6° | 179.8° |
| C14 | C15 | C20 | C19 | 179.8° | 179.7° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C15 | C14 | H2 | H3 | 119.0° | 120.0° |
| C14 | C15 | C16 | H17 | 0.2° | 0.0° |
| C14 | C15 | C20 | H19 | 0.2° | 0.1° |
| C15 | C20 | C19 | H19 | 180.0° | 179.7° |
| C15 | C20 | C19 | O3 | 179.9° | 179.7° |
| C15 | C20 | C19 | C18 | 1.4° | 0.6° |
| C20 | C15 | C16 | C17 | 0.3° | 0.2° |
| C20 | C15 | C14 | H2 | 1.2° | 149.7° |
| C20 | C15 | C14 | H3 | 118.1° | 29.8° |
| C20 | C15 | C16 | H17 | 179.7° | 179.8° |
| C20 | C19 | O3 | C21 | 37.2° | 0.3° |
| C19 | C20 | C15 | C16 | 0.6° | 0.6° |
| C20 | C19 | O3 | C18 | 178.5° | 179.7° |
| C20 | C19 | C18 | C17 | 1.8° | 0.3° |
| C20 | C19 | C18 | O4 | 179.8° | 179.8° |
| C22 | C21 | O3 | H20 | 119.6° | 120.0° |
| C22 | C21 | O3 | H21 | 119.6° | 120.1° |
| C22 | C21 | O3 | C19 | 168.3° | 180.0° |
| C22 | C21 | H20 | H21 | 121.1° | 120.0° |
| C21 | C22 | H22 | H23 | 120.0° | 120.1° |
| C21 | C22 | H22 | H24 | 120.0° | 119.9° |
| C21 | C22 | H23 | H24 | 120.0° | 120.0° |
| C21 | O3 | C19 | C18 | 144.3° | 179.9° |
| O3 | C21 | H20 | H21 | 121.1° | 119.9° |
| O3 | C21 | C22 | H22 | 180.0° | 180.0° |
| O3 | C21 | C22 | H23 | 60.0° | 60.0° |
| O3 | C21 | C22 | H24 | 60.0° | 60.1° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C16 | C15 | C14 | H2 | 178.4° | 30.0° |
| C16 | C15 | C14 | H3 | 62.3° | 150.0° |
| C15 | C16 | C17 | H18 | 179.3° | 180.0° |
| C16 | C15 | C20 | H19 | 179.4° | 179.7° |
| O3 | C19 | C18 | C17 | 179.6° | 180.0° |
| O3 | C19 | C18 | O4 | 1.6° | 0.1° |
| O3 | C19 | C20 | H19 | 0.2° | 0.0° |
| C19 | O3 | C21 | H20 | 48.7° | 60.0° |
| C19 | O3 | C21 | H21 | 72.1° | 60.0° |
| C19 | C18 | C17 | C16 | 1.4° | 0.0° |
| C19 | C18 | C17 | O4 | 177.7° | 179.9° |
| C19 | C18 | O4 | C23 | 177.6° | 180.0° |
| C19 | C18 | C17 | H18 | 178.5° | 179.9° |
| C18 | C19 | C20 | H19 | 178.6° | 179.7° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C16 | C17 | C18 | O4 | 179.2° | 179.9° |
| C17 | C18 | O4 | C23 | 0.3° | 0.1° |
| C18 | C17 | C16 | H17 | 179.3° | 179.9° |
| C18 | O4 | C23 | C24 | 164.2° | 180.0° |
| O4 | C18 | C17 | H18 | 0.8° | 0.0° |
| C18 | O4 | C23 | H25 | 44.6° | 60.0° |
| C18 | O4 | C23 | H26 | 76.1° | 60.1° |
| O4 | C23 | C24 | H25 | 119.7° | 120.1° |
| O4 | C23 | C24 | H26 | 119.7° | 120.0° |
| O4 | C23 | H25 | H26 | 120.9° | 120.0° |
| O4 | C23 | C24 | H27 | 180.0° | 60.0° |
| O4 | C23 | C24 | H28 | 60.0° | 180.0° |
| O4 | C23 | C24 | H29 | 60.0° | 60.0° |
| C24 | C23 | H25 | H26 | 120.9° | 119.9° |
| C23 | C24 | H27 | H28 | 120.0° | 120.1° |
| C23 | C24 | H27 | H29 | 120.0° | 120.0° |
| C23 | C24 | H28 | H29 | 120.0° | 120.0° |
| H4 | C11 | H5 | H6 | 120.0° | 120.0° |
| H4 | C11 | C10 | H9 | 60.3° | 60.1° |
| H4 | C11 | C10 | H10 | 60.3° | 180.0° |
| H5 | C11 | C10 | H9 | 59.7° | 180.0° |
| H5 | C11 | C10 | H10 | 179.7° | 60.0° |
| H6 | C11 | C10 | H9 | 179.7° | 60.0° |
| H6 | C11 | C10 | H10 | 59.7° | 60.0° |
| H7 | C8 | C9 | H8 | 0.1° | 0.0° |
| H11 | C12 | C13 | H13 | 60.3° | 60.0° |
| H11 | C12 | C13 | H14 | 179.7° | 60.1° |
| H11 | C12 | C13 | H15 | 59.7° | 180.0° |
| H12 | C12 | C13 | H13 | 60.2° | 60.0° |
| H12 | C12 | C13 | H14 | 59.8° | 180.0° |
| H12 | C12 | C13 | H15 | 179.7° | 60.1° |
| H13 | C13 | H14 | H15 | 120.0° | 120.0° |
| H17 | C16 | C17 | H18 | 0.7° | 0.0° |
| H20 | C21 | C22 | H22 | 60.4° | 60.0° |
| H20 | C21 | C22 | H23 | 59.6° | 60.0° |
| H20 | C21 | C22 | H24 | 179.6° | 180.0° |
| H21 | C21 | C22 | H22 | 60.4° | 59.9° |
| H21 | C21 | C22 | H23 | 179.6° | 180.0° |
| H21 | C21 | C22 | H24 | 59.6° | 60.0° |
| H22 | C22 | H23 | H24 | 120.0° | 120.0° |
| H25 | C23 | C24 | H27 | 60.3° | 180.0° |
| H25 | C23 | C24 | H28 | 179.7° | 60.0° |
| H25 | C23 | C24 | H29 | 59.7° | 60.0° |
| H26 | C23 | C24 | H27 | 60.3° | 60.0° |
| H26 | C23 | C24 | H28 | 59.7° | 60.0° |
| H26 | C23 | C24 | H29 | 179.7° | 180.0° |
| H27 | C24 | H28 | H29 | 120.0° | 119.9° |
