V07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.47Å | 1.52Å | |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C11 | C10 | sing | 1.55Å | 1.53Å | |
| C15 | N9 | sing | 1.48Å | 1.46Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| N9 | C2 | sing | 1.38Å | 1.43Å | |
| N9 | C10 | sing | 1.45Å | 1.47Å | |
| N16 | C17 | doub | 1.31Å | 1.36Å | Aromatic |
| N16 | N3 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C18 | C4 | doub | 1.40Å | 1.49Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N5 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.51Å | |
| C22 | F25 | sing | 1.35Å | 1.34Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 109.2° | 109.4° |
| C13 | C12 | C11 | 111.8° | 114.3° |
| C13 | C12 | H5 | 108.9° | 108.5° |
| C13 | C12 | H6 | 108.9° | 108.4° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C13 | C14 | C15 | 110.7° | 110.1° |
| C14 | C13 | H7 | 109.6° | 109.5° |
| C14 | C13 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.2° | 109.4° |
| C13 | C14 | H10 | 109.2° | 109.4° |
| C12 | C11 | C10 | 114.3° | 110.4° |
| C12 | C11 | H3 | 108.2° | 109.3° |
| C12 | C11 | H4 | 108.2° | 109.2° |
| C11 | C12 | H5 | 108.9° | 108.5° |
| C11 | C12 | H6 | 108.9° | 108.5° |
| C14 | C15 | N9 | 108.0° | 112.1° |
| C15 | C14 | H9 | 109.2° | 109.3° |
| C15 | C14 | H10 | 109.1° | 109.4° |
| C14 | C15 | H11 | 109.8° | 109.0° |
| C14 | C15 | H12 | 109.8° | 109.0° |
| C11 | C10 | N9 | 110.3° | 109.6° |
| C11 | C10 | H1 | 109.3° | 109.4° |
| C11 | C10 | H2 | 109.3° | 109.5° |
| C10 | C11 | H3 | 108.3° | 109.3° |
| C10 | C11 | H4 | 108.3° | 109.3° |
| C15 | N9 | C2 | 122.6° | 118.6° |
| C15 | N9 | C10 | 116.9° | 122.7° |
| N9 | C15 | H11 | 109.8° | 109.0° |
| N9 | C15 | H12 | 109.8° | 108.9° |
| C21 | C20 | C19 | 120.0° | 119.9° |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C21 | C20 | H14 | 120.0° | 120.0° |
| C20 | C21 | H15 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C20 | C19 | C24 | 120.0° | 119.8° |
| C19 | C20 | H14 | 120.0° | 120.1° |
| C21 | C22 | F25 | 120.0° | 119.9° |
| C21 | C22 | C23 | 120.1° | 120.2° |
| C22 | C21 | H15 | 120.1° | 119.9° |
| C2 | N9 | C10 | 120.5° | 118.6° |
| N9 | C2 | N3 | 126.0° | 120.5° |
| N9 | C2 | C7 | 118.1° | 120.6° |
| N9 | C10 | H1 | 109.3° | 109.5° |
| N9 | C10 | H2 | 109.3° | 109.4° |
| C17 | N16 | N3 | 107.4° | 109.2° |
| N16 | C17 | C18 | 109.7° | 108.9° |
| N16 | C17 | H13 | 125.2° | 125.6° |
| N16 | N3 | C2 | 128.1° | 132.4° |
| N16 | N3 | C4 | 111.4° | 108.0° |
| C17 | C18 | C4 | 105.4° | 107.2° |
| C17 | C18 | C19 | 125.9° | 126.4° |
| C18 | C17 | H13 | 125.1° | 125.5° |
| N3 | C2 | C7 | 115.9° | 118.9° |
| C2 | N3 | C4 | 120.6° | 119.6° |
| C2 | C7 | C6 | 121.9° | 119.2° |
| C2 | C7 | H18 | 119.0° | 120.4° |
| N3 | C4 | C18 | 106.1° | 106.8° |
| N3 | C4 | N5 | 125.2° | 120.8° |
| C4 | C18 | C19 | 128.6° | 126.4° |
| C18 | C4 | N5 | 128.6° | 132.4° |
| C18 | C19 | C24 | 119.7° | 120.1° |
| C7 | C6 | N5 | 119.6° | 120.3° |
| C7 | C6 | C8 | 120.0° | 119.9° |
| C6 | C7 | H18 | 119.1° | 120.4° |
| C4 | N5 | C6 | 116.8° | 121.2° |
| C19 | C24 | C23 | 120.0° | 119.9° |
| C19 | C24 | H17 | 120.0° | 120.1° |
| N5 | C6 | C8 | 120.4° | 119.8° |
| C6 | C8 | H19 | 109.5° | 109.5° |
| C6 | C8 | H20 | 109.5° | 109.4° |
| C6 | C8 | H21 | 109.5° | 109.4° |
| F25 | C22 | C23 | 119.9° | 119.9° |
| C22 | C23 | C24 | 120.0° | 120.1° |
| C22 | C23 | H16 | 120.0° | 119.9° |
| C24 | C23 | H16 | 120.0° | 120.0° |
| C23 | C24 | H17 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.3° |
| H5 | C12 | H6 | 109.5° | 108.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.2° |
| H11 | C15 | H12 | 109.5° | 108.9° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H19 | C8 | H21 | 109.5° | 109.5° |
| H20 | C8 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H7 | 119.9° | 120.0° |
| C12 | C13 | C14 | H8 | 120.0° | 120.0° |
| C13 | C12 | C11 | H5 | 120.3° | 121.3° |
| C13 | C12 | C11 | H6 | 120.4° | 121.0° |
| C12 | C13 | C14 | C15 | 101.9° | 91.9° |
| C13 | C12 | C11 | C10 | 49.7° | 62.8° |
| C13 | C12 | C11 | H3 | 71.0° | 57.5° |
| C13 | C12 | C11 | H4 | 170.4° | 177.1° |
| C13 | C12 | H5 | H6 | 118.9° | 117.5° |
| C12 | C13 | H7 | H8 | 120.1° | 120.0° |
| C12 | C13 | C14 | H9 | 18.3° | 147.9° |
| C12 | C13 | C14 | H10 | 137.9° | 28.3° |
| C14 | C13 | C12 | C11 | 72.2° | 85.0° |
| C13 | C14 | C15 | H9 | 120.2° | 120.2° |
| C13 | C14 | C15 | H10 | 120.2° | 120.3° |
| C13 | C14 | C15 | N9 | 49.8° | 40.6° |
| C14 | C13 | C12 | H5 | 167.4° | 153.7° |
| C14 | C13 | C12 | H6 | 48.1° | 36.1° |
| C14 | C13 | H7 | H8 | 120.1° | 120.1° |
| C13 | C14 | H9 | H10 | 119.4° | 119.7° |
| C13 | C14 | C15 | H11 | 169.6° | 80.1° |
| C13 | C14 | C15 | H12 | 69.9° | 161.2° |
| C12 | C11 | C10 | H3 | 120.7° | 120.3° |
| C12 | C11 | C10 | H4 | 120.7° | 120.1° |
| C12 | C11 | C10 | N9 | 71.4° | 71.2° |
| C12 | C11 | C10 | H1 | 168.5° | 48.8° |
| C12 | C11 | C10 | H2 | 48.7° | 168.7° |
| C12 | C11 | H3 | H4 | 117.8° | 119.4° |
| C11 | C12 | H5 | H6 | 118.9° | 117.7° |
| C11 | C12 | C13 | H7 | 167.8° | 35.0° |
| C11 | C12 | C13 | H8 | 47.7° | 155.0° |
| C14 | C15 | N9 | H11 | 119.8° | 120.7° |
| C14 | C15 | N9 | H12 | 119.8° | 120.6° |
| C14 | C15 | N9 | C2 | 140.9° | 137.9° |
| C14 | C15 | N9 | C10 | 39.7° | 42.1° |
| C15 | C14 | C13 | H7 | 138.1° | 28.1° |
| C15 | C14 | C13 | H8 | 18.0° | 148.1° |
| C15 | C14 | H9 | H10 | 119.4° | 119.7° |
| C14 | C15 | H11 | H12 | 120.7° | 118.7° |
| C11 | C10 | N9 | C15 | 96.8° | 90.7° |
| C11 | C10 | N9 | C2 | 83.8° | 89.3° |
| C11 | C10 | N9 | H1 | 120.1° | 120.0° |
| C11 | C10 | N9 | H2 | 120.1° | 120.1° |
| C11 | C10 | H1 | H2 | 119.6° | 120.0° |
| C10 | C11 | H3 | H4 | 117.8° | 119.7° |
| C10 | C11 | C12 | H5 | 170.1° | 175.9° |
| C10 | C11 | C12 | H6 | 70.6° | 58.3° |
| C15 | N9 | C2 | C10 | 179.4° | 180.0° |
| C15 | N9 | C2 | N3 | 11.7° | 172.9° |
| C15 | N9 | C2 | C7 | 168.7° | 7.4° |
| C15 | N9 | C10 | H1 | 143.1° | 29.3° |
| C15 | N9 | C10 | H2 | 23.3° | 149.2° |
| N9 | C15 | C14 | H9 | 70.4° | 160.8° |
| N9 | C15 | C14 | H10 | 170.0° | 79.7° |
| N9 | C15 | H11 | H12 | 120.7° | 118.7° |
| C21 | C20 | C19 | H14 | 180.0° | 179.9° |
| C20 | C21 | C22 | H15 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.4° | 180.0° |
| C21 | C20 | C19 | C24 | 0.6° | 0.4° |
| C20 | C21 | C22 | F25 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C19 | C18 | C17 | 153.5° | 130.3° |
| C20 | C19 | C18 | C4 | 24.9° | 49.7° |
| C20 | C19 | C18 | C24 | 178.9° | 179.7° |
| C20 | C19 | C24 | C23 | 0.5° | 0.6° |
| C19 | C20 | C21 | H15 | 179.7° | 180.0° |
| C20 | C19 | C24 | H17 | 179.5° | 179.7° |
| C21 | C22 | F25 | C23 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.3° |
| C22 | C21 | C20 | H14 | 179.7° | 180.0° |
| C21 | C22 | C23 | H16 | 180.0° | 180.0° |
| N9 | C2 | N3 | N16 | 0.2° | 0.3° |
| N9 | C2 | N3 | C7 | 179.6° | 179.7° |
| N9 | C2 | N3 | C4 | 179.9° | 179.7° |
| N9 | C2 | C7 | C6 | 179.8° | 179.7° |
| C2 | N9 | C10 | H1 | 36.3° | 150.7° |
| C2 | N9 | C10 | H2 | 156.1° | 30.8° |
| C2 | N9 | C15 | H11 | 99.3° | 17.2° |
| C2 | N9 | C15 | H12 | 21.2° | 101.5° |
| N9 | C2 | C7 | H18 | 0.2° | 0.3° |
| C10 | N9 | C2 | N3 | 167.7° | 7.1° |
| C10 | N9 | C2 | C7 | 11.9° | 172.6° |
| N9 | C10 | H1 | H2 | 119.7° | 119.9° |
| N9 | C10 | C11 | H3 | 49.2° | 49.0° |
| N9 | C10 | C11 | H4 | 167.9° | 168.7° |
| C10 | N9 | C15 | H11 | 80.1° | 162.8° |
| C10 | N9 | C15 | H12 | 159.4° | 78.5° |
| N16 | C17 | C18 | H13 | 180.0° | 180.0° |
| C17 | N16 | N3 | C2 | 179.6° | 179.9° |
| C17 | N16 | N3 | C4 | 0.2° | 0.0° |
| N16 | C17 | C18 | C4 | 0.6° | 0.0° |
| N16 | C17 | C18 | C19 | 179.4° | 180.0° |
| N3 | N16 | C17 | C18 | 0.5° | 0.0° |
| N16 | N3 | C2 | C4 | 179.8° | 180.0° |
| N16 | N3 | C2 | C7 | 179.7° | 180.0° |
| N16 | N3 | C4 | C18 | 0.2° | 0.0° |
| N16 | N3 | C4 | N5 | 179.9° | 180.0° |
| N3 | N16 | C17 | H13 | 179.5° | 180.0° |
| C17 | C18 | C4 | N3 | 0.5° | 0.0° |
| C17 | C18 | C4 | C19 | 178.7° | 180.0° |
| C17 | C18 | C4 | N5 | 179.8° | 180.0° |
| C17 | C18 | C19 | C24 | 25.3° | 50.1° |
| C2 | N3 | C4 | C18 | 180.0° | 180.0° |
| N3 | C2 | C7 | C6 | 0.6° | 0.0° |
| C2 | N3 | C4 | N5 | 0.3° | 0.0° |
| N3 | C2 | C7 | H18 | 179.4° | 180.0° |
| C7 | C2 | N3 | C4 | 0.5° | 0.1° |
| C2 | C7 | C6 | H18 | 180.0° | 180.0° |
| C2 | C7 | C6 | N5 | 0.5° | 0.0° |
| C2 | C7 | C6 | C8 | 179.7° | 180.0° |
| N3 | C4 | C18 | N5 | 179.7° | 180.0° |
| N3 | C4 | C18 | C19 | 179.2° | 180.0° |
| N3 | C4 | N5 | C6 | 0.1° | 0.0° |
| C4 | C18 | C19 | C24 | 156.2° | 130.0° |
| C18 | C4 | N5 | C6 | 179.7° | 180.0° |
| C4 | C18 | C17 | H13 | 179.4° | 180.0° |
| C19 | C18 | C4 | N5 | 1.1° | 0.0° |
| C18 | C19 | C24 | C23 | 179.4° | 179.7° |
| C19 | C18 | C17 | H13 | 0.6° | 0.1° |
| C18 | C19 | C20 | H14 | 0.6° | 0.1° |
| C18 | C19 | C24 | H17 | 0.6° | 0.0° |
| C7 | C6 | N5 | C4 | 0.1° | 0.0° |
| C7 | C6 | N5 | C8 | 179.9° | 180.0° |
| C7 | C6 | C8 | H19 | 179.9° | 180.0° |
| C7 | C6 | C8 | H20 | 60.1° | 60.0° |
| C7 | C6 | C8 | H21 | 59.8° | 60.0° |
| C4 | N5 | C6 | C8 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.3° | 0.6° |
| C19 | C24 | C23 | H17 | 180.0° | 179.7° |
| C24 | C19 | C20 | H14 | 179.4° | 179.8° |
| C19 | C24 | C23 | H16 | 179.7° | 179.7° |
| N5 | C6 | C7 | H18 | 179.5° | 180.0° |
| N5 | C6 | C8 | H19 | 0.0° | 0.1° |
| N5 | C6 | C8 | H20 | 120.0° | 120.0° |
| N5 | C6 | C8 | H21 | 120.0° | 120.0° |
| C8 | C6 | C7 | H18 | 0.3° | 0.0° |
| C6 | C8 | H19 | H20 | 120.0° | 120.0° |
| C6 | C8 | H19 | H21 | 120.0° | 120.0° |
| C6 | C8 | H20 | H21 | 120.0° | 119.9° |
| F25 | C22 | C23 | C24 | 180.0° | 179.7° |
| F25 | C22 | C21 | H15 | 0.0° | 0.0° |
| F25 | C22 | C23 | H16 | 0.0° | 0.0° |
| C22 | C23 | C24 | H16 | 180.0° | 179.7° |
| C23 | C22 | C21 | H15 | 179.9° | 180.0° |
| C22 | C23 | C24 | H17 | 179.7° | 179.7° |
| H1 | C10 | C11 | H3 | 70.9° | 169.1° |
| H1 | C10 | C11 | H4 | 47.8° | 71.3° |
| H2 | C10 | C11 | H3 | 169.4° | 71.0° |
| H2 | C10 | C11 | H4 | 72.0° | 48.7° |
| H3 | C11 | C12 | H5 | 49.4° | 63.8° |
| H3 | C11 | C12 | H6 | 168.7° | 178.6° |
| H4 | C11 | C12 | H5 | 69.2° | 55.8° |
| H4 | C11 | C12 | H6 | 50.1° | 61.9° |
| H5 | C12 | C13 | H7 | 47.4° | 86.3° |
| H5 | C12 | C13 | H8 | 72.6° | 33.7° |
| H6 | C12 | C13 | H7 | 71.9° | 156.1° |
| H6 | C12 | C13 | H8 | 168.1° | 83.9° |
| H7 | C13 | C14 | H9 | 101.7° | 92.1° |
| H7 | C13 | C14 | H10 | 18.0° | 148.3° |
| H8 | C13 | C14 | H9 | 138.2° | 28.0° |
| H8 | C13 | C14 | H10 | 102.1° | 91.6° |
| H9 | C14 | C15 | H11 | 49.4° | 40.1° |
| H9 | C14 | C15 | H12 | 169.8° | 78.6° |
| H10 | C14 | C15 | H11 | 70.2° | 159.6° |
| H10 | C14 | C15 | H12 | 50.2° | 40.9° |
| H14 | C20 | C21 | H15 | 0.3° | 0.1° |
| H16 | C23 | C24 | H17 | 0.3° | 0.0° |
| H19 | C8 | H20 | H21 | 120.0° | 120.1° |
