V0D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.47Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C15 | N9 | sing | 1.45Å | 1.45Å | |
| C10 | N9 | sing | 1.48Å | 1.46Å | |
| C8 | C6 | sing | 1.51Å | 1.53Å | |
| C8 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | N5 | doub | 1.32Å | 1.40Å | Aromatic |
| N9 | C2 | sing | 1.38Å | 1.46Å | |
| C20 | C21 | doub | 1.38Å | 1.31Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.52Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.53Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| N3 | N16 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C18 | doub | 1.40Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.52Å | |
| C18 | C17 | sing | 1.40Å | 1.35Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | C24 | doub | 1.40Å | 1.31Å | Aromatic |
| C22 | F25 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | doub | 1.38Å | 1.31Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 112.2° | 114.2° |
| C13 | C12 | C11 | 112.4° | 109.4° |
| C12 | C13 | H131 | 108.8° | 108.5° |
| C12 | C13 | H132 | 108.8° | 108.5° |
| C13 | C12 | H122 | 108.7° | 109.5° |
| C13 | C12 | H121 | 108.7° | 109.5° |
| C13 | C14 | C15 | 113.3° | 110.3° |
| C14 | C13 | H131 | 108.8° | 108.6° |
| C14 | C13 | H132 | 108.8° | 108.5° |
| C13 | C14 | H141 | 108.5° | 109.3° |
| C13 | C14 | H142 | 108.5° | 109.4° |
| C12 | C11 | C10 | 113.3° | 110.1° |
| C11 | C12 | H122 | 108.7° | 109.5° |
| C11 | C12 | H121 | 108.7° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.4° |
| C12 | C11 | H112 | 108.5° | 109.4° |
| C11 | C10 | N9 | 112.9° | 112.2° |
| C11 | C10 | H102 | 108.6° | 109.0° |
| C11 | C10 | H101 | 108.6° | 108.9° |
| C10 | C11 | H111 | 108.5° | 109.3° |
| C10 | C11 | H112 | 108.5° | 109.3° |
| C14 | C15 | N9 | 110.5° | 109.6° |
| C15 | C14 | H141 | 108.5° | 109.3° |
| C15 | C14 | H142 | 108.5° | 109.4° |
| C14 | C15 | H151 | 109.2° | 109.5° |
| C14 | C15 | H152 | 109.2° | 109.5° |
| C15 | N9 | C10 | 124.6° | 122.7° |
| C15 | N9 | C2 | 116.6° | 118.7° |
| N9 | C15 | H151 | 109.2° | 109.5° |
| N9 | C15 | H152 | 109.2° | 109.4° |
| C10 | N9 | C2 | 116.3° | 118.6° |
| N9 | C10 | H102 | 108.6° | 108.9° |
| N9 | C10 | H101 | 108.6° | 108.9° |
| C6 | C8 | C1 | 109.0° | 109.4° |
| C8 | C6 | C7 | 119.1° | 119.8° |
| C8 | C6 | N5 | 122.0° | 119.8° |
| C6 | C8 | H81 | 109.6° | 109.5° |
| C6 | C8 | H82 | 109.6° | 109.4° |
| C8 | C1 | H1 | 109.5° | 109.5° |
| C8 | C1 | H11 | 109.5° | 109.5° |
| C8 | C1 | H12 | 109.5° | 109.4° |
| C1 | C8 | H81 | 109.6° | 109.5° |
| C1 | C8 | H82 | 109.6° | 109.5° |
| C6 | C7 | C2 | 121.0° | 119.2° |
| C7 | C6 | N5 | 118.9° | 120.3° |
| C6 | C7 | H7 | 119.5° | 120.4° |
| C7 | C2 | N9 | 118.0° | 120.6° |
| C7 | C2 | N3 | 118.8° | 118.8° |
| C2 | C7 | H7 | 119.5° | 120.4° |
| C6 | N5 | C4 | 117.4° | 121.2° |
| N9 | C2 | N3 | 123.2° | 120.6° |
| C21 | C20 | C19 | 119.5° | 119.9° |
| C20 | C21 | C22 | 119.8° | 120.1° |
| C21 | C20 | H20 | 120.3° | 120.0° |
| C20 | C21 | H21 | 120.1° | 120.0° |
| C20 | C19 | C18 | 121.0° | 120.1° |
| C20 | C19 | C24 | 120.7° | 119.8° |
| C19 | C20 | H20 | 120.2° | 120.1° |
| C2 | N3 | C4 | 119.3° | 119.7° |
| C2 | N3 | N16 | 130.7° | 132.4° |
| N5 | C4 | N3 | 124.6° | 120.8° |
| N5 | C4 | C18 | 133.3° | 132.5° |
| C21 | C22 | F25 | 119.4° | 119.9° |
| C21 | C22 | C23 | 120.7° | 120.2° |
| C22 | C21 | H21 | 120.1° | 119.9° |
| C4 | N3 | N16 | 110.0° | 107.9° |
| N3 | C4 | C18 | 102.1° | 106.7° |
| N3 | N16 | C17 | 104.7° | 109.2° |
| C4 | C18 | C19 | 124.7° | 126.4° |
| C4 | C18 | C17 | 116.0° | 107.2° |
| C19 | C18 | C17 | 119.3° | 126.4° |
| C18 | C19 | C24 | 118.3° | 120.1° |
| C18 | C17 | N16 | 107.2° | 108.9° |
| C18 | C17 | H17 | 126.4° | 125.6° |
| N16 | C17 | H17 | 126.4° | 125.6° |
| C19 | C24 | C23 | 119.8° | 119.9° |
| C19 | C24 | H24 | 120.1° | 120.0° |
| F25 | C22 | C23 | 119.8° | 119.9° |
| C22 | C23 | C24 | 119.4° | 120.2° |
| C22 | C23 | H23 | 120.3° | 119.9° |
| C24 | C23 | H23 | 120.3° | 119.9° |
| C23 | C24 | H24 | 120.1° | 120.1° |
| H102 | C10 | H101 | 109.5° | 108.9° |
| H131 | C13 | H132 | 109.5° | 108.4° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.1° |
| H1 | C1 | H11 | 109.4° | 109.5° |
| H1 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.3° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H131 | 120.4° | 121.2° |
| C12 | C13 | C14 | H132 | 120.4° | 121.2° |
| C13 | C12 | C11 | H122 | 120.4° | 120.0° |
| C13 | C12 | C11 | H121 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 57.9° | 91.9° |
| C12 | C13 | C14 | C15 | 94.0° | 62.9° |
| C12 | C13 | H131 | H132 | 118.8° | 117.6° |
| C13 | C12 | H122 | H121 | 118.7° | 120.1° |
| C12 | C13 | C14 | H141 | 26.5° | 176.9° |
| C12 | C13 | C14 | H142 | 145.4° | 57.5° |
| C13 | C12 | C11 | H111 | 62.7° | 28.2° |
| C13 | C12 | C11 | H112 | 178.5° | 147.9° |
| C14 | C13 | C12 | C11 | 70.6° | 85.0° |
| C13 | C14 | C15 | H141 | 120.5° | 120.2° |
| C13 | C14 | C15 | H142 | 120.6° | 120.4° |
| C13 | C14 | C15 | N9 | 56.8° | 71.4° |
| C14 | C13 | H131 | H132 | 118.7° | 117.7° |
| C14 | C13 | C12 | H122 | 169.0° | 34.9° |
| C14 | C13 | C12 | H121 | 49.9° | 155.0° |
| C13 | C14 | H141 | H142 | 118.2° | 119.5° |
| C13 | C14 | C15 | H151 | 176.9° | 48.7° |
| C13 | C14 | C15 | H152 | 63.4° | 168.7° |
| C12 | C11 | C10 | H111 | 120.6° | 120.2° |
| C12 | C11 | C10 | H112 | 120.6° | 120.2° |
| C12 | C11 | C10 | N9 | 75.8° | 40.6° |
| C12 | C11 | C10 | H102 | 163.7° | 80.1° |
| C12 | C11 | C10 | H101 | 44.7° | 161.2° |
| C11 | C12 | C13 | H131 | 169.0° | 36.2° |
| C11 | C12 | C13 | H132 | 49.8° | 153.7° |
| C11 | C12 | H122 | H121 | 118.7° | 120.0° |
| C12 | C11 | H111 | H112 | 118.2° | 119.7° |
| C11 | C10 | N9 | C15 | 82.2° | 42.1° |
| C11 | C10 | N9 | H102 | 120.5° | 120.7° |
| C11 | C10 | N9 | H101 | 120.5° | 120.6° |
| C11 | C10 | N9 | C2 | 78.8° | 137.9° |
| C11 | C10 | H102 | H101 | 118.5° | 118.6° |
| C10 | C11 | C12 | H122 | 178.3° | 28.1° |
| C10 | C11 | C12 | H121 | 62.6° | 148.1° |
| C10 | C11 | H111 | H112 | 118.2° | 119.6° |
| C14 | C15 | N9 | H151 | 120.1° | 120.1° |
| C14 | C15 | N9 | H152 | 120.2° | 120.0° |
| C14 | C15 | N9 | C10 | 21.9° | 90.7° |
| C14 | C15 | N9 | C2 | 139.1° | 89.3° |
| C15 | C14 | C13 | H131 | 145.5° | 58.3° |
| C15 | C14 | C13 | H132 | 26.4° | 175.9° |
| C15 | C14 | H141 | H142 | 118.3° | 119.6° |
| C14 | C15 | H151 | H152 | 119.6° | 120.0° |
| C15 | N9 | C10 | C2 | 161.1° | 180.0° |
| C15 | N9 | C2 | C7 | 165.4° | 172.7° |
| C15 | N9 | C2 | N3 | 14.2° | 7.3° |
| C15 | N9 | C10 | H102 | 157.2° | 162.9° |
| C15 | N9 | C10 | H101 | 38.3° | 78.5° |
| N9 | C15 | C14 | H141 | 63.8° | 168.4° |
| N9 | C15 | C14 | H142 | 177.4° | 49.0° |
| N9 | C15 | H151 | H152 | 119.5° | 119.9° |
| C10 | N9 | C2 | C7 | 2.8° | 7.3° |
| C10 | N9 | C2 | N3 | 176.8° | 172.7° |
| N9 | C10 | H102 | H101 | 118.4° | 118.7° |
| N9 | C10 | C11 | H111 | 44.7° | 79.6° |
| N9 | C10 | C11 | H112 | 163.6° | 160.8° |
| C10 | N9 | C15 | H151 | 98.3° | 29.4° |
| C10 | N9 | C15 | H152 | 142.1° | 149.3° |
| C6 | C8 | C1 | H81 | 119.9° | 120.0° |
| C6 | C8 | C1 | H82 | 119.9° | 119.9° |
| C8 | C6 | C7 | N5 | 180.0° | 179.9° |
| C8 | C6 | C7 | C2 | 180.0° | 179.9° |
| C8 | C6 | N5 | C4 | 180.0° | 180.0° |
| C6 | C8 | C1 | H1 | 180.0° | 60.0° |
| C6 | C8 | C1 | H11 | 60.0° | 60.0° |
| C6 | C8 | C1 | H12 | 60.0° | 180.0° |
| C8 | C6 | C7 | H7 | 0.0° | 0.1° |
| C6 | C8 | H81 | H82 | 120.2° | 120.0° |
| C1 | C8 | C6 | C7 | 132.5° | 179.9° |
| C1 | C8 | C6 | N5 | 47.4° | 0.0° |
| C8 | C1 | H1 | H11 | 120.0° | 120.0° |
| C8 | C1 | H1 | H12 | 120.0° | 119.9° |
| C8 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C8 | H81 | H82 | 120.2° | 120.0° |
| C6 | C7 | C2 | H7 | 180.0° | 179.9° |
| C6 | C7 | C2 | N9 | 179.5° | 179.9° |
| C6 | C7 | C2 | N3 | 0.1° | 0.1° |
| C7 | C6 | N5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C8 | H81 | 107.5° | 60.0° |
| C7 | C6 | C8 | H82 | 12.6° | 60.0° |
| C2 | C7 | C6 | N5 | 0.1° | 0.1° |
| C7 | C2 | N9 | N3 | 179.7° | 180.0° |
| C7 | C2 | N3 | C4 | 0.2° | 0.0° |
| C7 | C2 | N3 | N16 | 179.6° | 179.6° |
| C6 | N5 | C4 | N3 | 0.2° | 0.0° |
| C6 | N5 | C4 | C18 | 179.8° | 180.0° |
| N5 | C6 | C7 | H7 | 179.9° | 180.0° |
| N5 | C6 | C8 | H81 | 72.5° | 120.0° |
| N5 | C6 | C8 | H82 | 167.3° | 120.0° |
| N9 | C2 | N3 | C4 | 179.4° | 180.0° |
| N9 | C2 | N3 | N16 | 0.8° | 0.4° |
| C2 | N9 | C10 | H102 | 41.7° | 17.1° |
| C2 | N9 | C10 | H101 | 160.6° | 101.5° |
| C2 | N9 | C15 | H151 | 100.7° | 150.6° |
| C2 | N9 | C15 | H152 | 19.0° | 30.7° |
| N9 | C2 | C7 | H7 | 0.5° | 0.1° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C21 | C20 | C19 | C24 | 0.1° | 0.3° |
| C20 | C21 | C22 | F25 | 179.9° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C18 | C4 | 8.4° | 49.7° |
| C20 | C19 | C18 | C24 | 179.9° | 179.7° |
| C20 | C19 | C18 | C17 | 171.2° | 130.3° |
| C20 | C19 | C24 | C23 | 0.1° | 0.6° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C19 | C24 | H24 | 179.9° | 179.8° |
| C2 | N3 | C4 | N5 | 0.3° | 0.1° |
| C2 | N3 | C4 | N16 | 179.9° | 179.7° |
| C2 | N3 | C4 | C18 | 180.0° | 180.0° |
| C2 | N3 | N16 | C17 | 179.5° | 179.9° |
| N3 | C2 | C7 | H7 | 179.9° | 180.0° |
| N5 | C4 | N3 | C18 | 179.7° | 179.9° |
| N5 | C4 | N3 | N16 | 179.6° | 179.7° |
| N5 | C4 | C18 | C19 | 0.3° | 0.1° |
| N5 | C4 | C18 | C17 | 179.9° | 179.9° |
| C21 | C22 | F25 | C23 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.4° |
| C22 | C21 | C20 | H20 | 179.9° | 179.9° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| N3 | C4 | C18 | C19 | 180.0° | 180.0° |
| N3 | C4 | C18 | C17 | 0.4° | 0.0° |
| C4 | N3 | N16 | C17 | 0.6° | 0.5° |
| N16 | N3 | C4 | C18 | 0.2° | 0.3° |
| N3 | N16 | C17 | C18 | 0.8° | 0.5° |
| N3 | N16 | C17 | H17 | 179.2° | 179.8° |
| C4 | C18 | C19 | C17 | 179.6° | 180.0° |
| C4 | C18 | C17 | N16 | 0.8° | 0.3° |
| C4 | C18 | C19 | C24 | 171.6° | 130.0° |
| C4 | C18 | C17 | H17 | 179.2° | 180.0° |
| C19 | C18 | C17 | N16 | 179.6° | 179.7° |
| C18 | C19 | C24 | C23 | 180.0° | 179.7° |
| C19 | C18 | C17 | H17 | 0.4° | 0.0° |
| C18 | C19 | C20 | H20 | 0.0° | 0.1° |
| C18 | C19 | C24 | H24 | 0.0° | 0.0° |
| C18 | C17 | N16 | H17 | 180.0° | 179.7° |
| C17 | C18 | C19 | C24 | 8.8° | 50.0° |
| C19 | C24 | C23 | C22 | 0.0° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.6° |
| C24 | C19 | C20 | H20 | 179.9° | 179.8° |
| C19 | C24 | C23 | H23 | 180.0° | 179.7° |
| F25 | C22 | C23 | C24 | 180.0° | 179.7° |
| F25 | C22 | C21 | H21 | 0.1° | 0.0° |
| F25 | C22 | C23 | H23 | 0.0° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.6° |
| C23 | C22 | C21 | H21 | 179.9° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 179.7° |
| H102 | C10 | C11 | H111 | 75.7° | 159.7° |
| H102 | C10 | C11 | H112 | 43.1° | 40.1° |
| H101 | C10 | C11 | H111 | 165.3° | 41.0° |
| H101 | C10 | C11 | H112 | 75.9° | 78.6° |
| H131 | C13 | C12 | H122 | 48.6° | 156.2° |
| H131 | C13 | C12 | H121 | 70.5° | 83.7° |
| H131 | C13 | C14 | H141 | 93.9° | 61.9° |
| H131 | C13 | C14 | H142 | 24.9° | 178.7° |
| H132 | C13 | C12 | H122 | 70.6° | 86.3° |
| H132 | C13 | C12 | H121 | 170.3° | 33.8° |
| H132 | C13 | C14 | H141 | 146.9° | 55.7° |
| H132 | C13 | C14 | H142 | 94.2° | 63.7° |
| H122 | C12 | C11 | H111 | 57.7° | 148.3° |
| H122 | C12 | C11 | H112 | 61.1° | 92.1° |
| H121 | C12 | C11 | H111 | 176.8° | 91.7° |
| H121 | C12 | C11 | H112 | 58.0° | 28.0° |
| H141 | C14 | C15 | H151 | 56.4° | 71.5° |
| H141 | C14 | C15 | H152 | 176.1° | 48.5° |
| H142 | C14 | C15 | H151 | 62.5° | 169.1° |
| H142 | C14 | C15 | H152 | 57.2° | 71.0° |
| H1 | C1 | H11 | H12 | 120.0° | 120.0° |
| H1 | C1 | C8 | H81 | 60.1° | 60.0° |
| H1 | C1 | C8 | H82 | 60.1° | 180.0° |
| H11 | C1 | C8 | H81 | 179.9° | 180.0° |
| H11 | C1 | C8 | H82 | 59.9° | 59.9° |
| H12 | C1 | C8 | H81 | 59.9° | 60.0° |
| H12 | C1 | C8 | H82 | 179.9° | 60.1° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
