07F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.48Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.48Å | |
| C19 | C2 | doub | 1.36Å | 1.34Å | |
| C19 | C18 | sing | 1.41Å | 1.47Å | |
| C2 | N1 | sing | 1.33Å | 1.36Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| N1 | C3 | doub | 1.32Å | 1.29Å | |
| C18 | O2 | doub | 1.22Å | 1.22Å | |
| C18 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C3 | sing | 1.36Å | 1.39Å | |
| N2 | C10 | sing | 1.46Å | 1.45Å | |
| C3 | C4 | sing | 1.48Å | 1.46Å | |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | O1 | sing | 1.36Å | 1.38Å | |
| C8 | F1 | sing | 1.35Å | 1.34Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C25 | C24 | H12 | 120.0° | 120.0° |
| C24 | C25 | H23 | 120.0° | 120.0° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C23 | C24 | H12 | 120.0° | 119.9° |
| C24 | C23 | H22 | 120.1° | 120.0° |
| C25 | C26 | C21 | 120.0° | 120.0° |
| C25 | C26 | H13 | 120.0° | 120.1° |
| C26 | C25 | H23 | 120.0° | 120.0° |
| C23 | C22 | C21 | 120.1° | 120.0° |
| C23 | C22 | H11 | 120.0° | 120.0° |
| C22 | C23 | H22 | 120.1° | 120.0° |
| C26 | C21 | C22 | 120.0° | 120.0° |
| C26 | C21 | C20 | 119.7° | 120.0° |
| C21 | C26 | H13 | 120.0° | 120.0° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C21 | C22 | H11 | 119.9° | 120.0° |
| C21 | C20 | C19 | 108.8° | 109.5° |
| C21 | C20 | H9 | 109.6° | 109.5° |
| C21 | C20 | H10 | 109.6° | 109.5° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | C14 | 120.0° | 120.1° |
| C16 | C15 | H7 | 120.0° | 120.0° |
| C15 | C16 | H21 | 120.1° | 120.1° |
| C16 | C17 | C12 | 119.9° | 120.0° |
| C16 | C17 | H8 | 120.0° | 120.0° |
| C17 | C16 | H21 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.2° | 119.9° |
| C14 | C15 | H7 | 120.0° | 119.9° |
| C15 | C14 | H20 | 119.9° | 120.0° |
| C17 | C12 | C13 | 120.3° | 120.1° |
| C17 | C12 | C11 | 119.5° | 120.0° |
| C12 | C17 | H8 | 120.0° | 120.0° |
| C20 | C19 | C2 | 124.9° | 120.5° |
| C20 | C19 | C18 | 117.5° | 120.6° |
| C19 | C20 | H9 | 109.6° | 109.5° |
| C19 | C20 | H10 | 109.7° | 109.4° |
| C1 | C2 | C19 | 120.8° | 120.0° |
| C1 | C2 | N1 | 114.0° | 119.9° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.4° | 109.5° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | H6 | 120.2° | 120.0° |
| C13 | C14 | H20 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C12 | C13 | H6 | 120.2° | 120.0° |
| C12 | C11 | C10 | 108.0° | 109.5° |
| C12 | C11 | H18 | 109.8° | 109.5° |
| C12 | C11 | H19 | 109.8° | 109.5° |
| C2 | C19 | C18 | 117.6° | 118.9° |
| C19 | C2 | N1 | 125.2° | 120.1° |
| C19 | C18 | O2 | 119.6° | 120.7° |
| C19 | C18 | N2 | 115.5° | 118.7° |
| C2 | N1 | C3 | 116.6° | 121.4° |
| C6 | C5 | C4 | 119.2° | 119.9° |
| C5 | C6 | C7 | 120.4° | 120.3° |
| C6 | C5 | H1 | 120.4° | 120.1° |
| C5 | C6 | H2 | 119.8° | 119.8° |
| C5 | C4 | C3 | 118.7° | 120.2° |
| C5 | C4 | C9 | 120.7° | 119.7° |
| C4 | C5 | H1 | 120.4° | 120.0° |
| C11 | C10 | N2 | 112.1° | 109.5° |
| C11 | C10 | H4 | 108.8° | 109.5° |
| C11 | C10 | H5 | 108.8° | 109.5° |
| C10 | C11 | H18 | 109.8° | 109.5° |
| C10 | C11 | H19 | 109.8° | 109.5° |
| N1 | C3 | N2 | 124.6° | 121.1° |
| N1 | C3 | C4 | 115.5° | 119.5° |
| O2 | C18 | N2 | 124.9° | 120.6° |
| C18 | N2 | C3 | 119.5° | 119.7° |
| C18 | N2 | C10 | 115.4° | 120.1° |
| C3 | N2 | C10 | 122.9° | 120.1° |
| N2 | C3 | C4 | 119.9° | 119.4° |
| N2 | C10 | H4 | 108.8° | 109.5° |
| N2 | C10 | H5 | 108.8° | 109.5° |
| C3 | C4 | C9 | 120.6° | 120.2° |
| C6 | C7 | C8 | 119.8° | 120.4° |
| C7 | C6 | H2 | 119.8° | 119.8° |
| C6 | C7 | H3 | 120.1° | 119.8° |
| C4 | C9 | C8 | 119.8° | 119.6° |
| C4 | C9 | O1 | 120.1° | 120.2° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C7 | C8 | F1 | 119.9° | 120.0° |
| C8 | C7 | H3 | 120.1° | 119.8° |
| C8 | C9 | O1 | 120.1° | 120.2° |
| C9 | C8 | F1 | 120.1° | 120.0° |
| C9 | O1 | H17 | 109.5° | 114.0° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.4° | 109.4° |
| H14 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H12 | 180.0° | 179.6° |
| C24 | C25 | C26 | H23 | 180.0° | 179.5° |
| C25 | C24 | C23 | C22 | 0.0° | 0.3° |
| C24 | C25 | C26 | C21 | 0.1° | 0.2° |
| C24 | C25 | C26 | H13 | 179.9° | 180.0° |
| C25 | C24 | C23 | H22 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.4° |
| C24 | C23 | C22 | H22 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.1° | 0.1° |
| C24 | C23 | C22 | H11 | 179.9° | 180.0° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| C25 | C26 | C21 | H13 | 180.0° | 179.9° |
| C25 | C26 | C21 | C22 | 0.2° | 0.2° |
| C25 | C26 | C21 | C20 | 179.8° | 179.9° |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.2° | 0.4° |
| C23 | C22 | C21 | H11 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 179.8° | 179.9° |
| C22 | C23 | C24 | H12 | 180.0° | 179.9° |
| C26 | C21 | C22 | C20 | 179.6° | 179.7° |
| C26 | C21 | C20 | C19 | 99.2° | 90.3° |
| C26 | C21 | C20 | H9 | 140.9° | 29.8° |
| C26 | C21 | C20 | H10 | 20.7° | 149.8° |
| C26 | C21 | C22 | H11 | 179.8° | 179.8° |
| C21 | C26 | C25 | H23 | 179.9° | 179.7° |
| C22 | C21 | C20 | C19 | 80.3° | 90.0° |
| C22 | C21 | C20 | H9 | 39.6° | 149.9° |
| C22 | C21 | C20 | H10 | 159.8° | 30.0° |
| C22 | C21 | C26 | H13 | 179.8° | 179.6° |
| C21 | C22 | C23 | H22 | 179.9° | 179.7° |
| C21 | C20 | C19 | H9 | 119.9° | 120.1° |
| C21 | C20 | C19 | H10 | 119.9° | 120.0° |
| C21 | C20 | C19 | C2 | 91.5° | 95.1° |
| C21 | C20 | C19 | C18 | 87.7° | 85.0° |
| C21 | C20 | H9 | H10 | 120.3° | 120.0° |
| C20 | C21 | C22 | H11 | 0.2° | 0.1° |
| C20 | C21 | C26 | H13 | 0.2° | 0.1° |
| C15 | C16 | C17 | H21 | 180.0° | 179.8° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | H8 | 179.8° | 179.7° |
| C16 | C15 | C14 | H20 | 179.9° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.2° |
| C16 | C17 | C12 | H8 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 0.1° | 0.1° |
| C16 | C17 | C12 | C11 | 179.9° | 180.0° |
| C17 | C16 | C15 | H7 | 179.9° | 179.8° |
| C15 | C14 | C13 | H20 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.2° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | H21 | 179.9° | 180.0° |
| C17 | C12 | C13 | C14 | 0.0° | 0.3° |
| C17 | C12 | C13 | C11 | 179.9° | 179.9° |
| C17 | C12 | C11 | C10 | 67.7° | 89.9° |
| C17 | C12 | C13 | H6 | 180.0° | 179.9° |
| C17 | C12 | C11 | H18 | 172.5° | 30.0° |
| C17 | C12 | C11 | H19 | 52.1° | 150.0° |
| C12 | C17 | C16 | H21 | 179.9° | 180.0° |
| C20 | C19 | C2 | C1 | 0.6° | 0.1° |
| C20 | C19 | C2 | C18 | 179.2° | 179.9° |
| C20 | C19 | C2 | N1 | 179.7° | 180.0° |
| C20 | C19 | C18 | O2 | 7.9° | 0.0° |
| C20 | C19 | C18 | N2 | 171.6° | 180.0° |
| C19 | C20 | H9 | H10 | 120.3° | 120.0° |
| C1 | C2 | C19 | N1 | 179.6° | 179.9° |
| C1 | C2 | C19 | C18 | 179.8° | 180.0° |
| C1 | C2 | N1 | C3 | 175.7° | 180.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.1° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C14 | C13 | C12 | H6 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 179.9° | 179.8° |
| C13 | C14 | C15 | H7 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 112.2° | 90.0° |
| C13 | C12 | C17 | H8 | 179.9° | 180.0° |
| C13 | C12 | C11 | H18 | 7.6° | 150.0° |
| C13 | C12 | C11 | H19 | 128.0° | 30.0° |
| C12 | C13 | C14 | H20 | 180.0° | 179.7° |
| C12 | C11 | C10 | H18 | 119.8° | 120.0° |
| C12 | C11 | C10 | H19 | 119.8° | 120.0° |
| C12 | C11 | C10 | N2 | 102.2° | 180.0° |
| C12 | C11 | C10 | H4 | 18.2° | 60.0° |
| C12 | C11 | C10 | H5 | 137.4° | 60.0° |
| C11 | C12 | C13 | H6 | 0.1° | 0.0° |
| C11 | C12 | C17 | H8 | 0.2° | 0.1° |
| C12 | C11 | H18 | H19 | 120.7° | 120.0° |
| C19 | C2 | N1 | C3 | 4.7° | 0.1° |
| C2 | C19 | C18 | O2 | 172.8° | 179.9° |
| C2 | C19 | C18 | N2 | 7.6° | 0.0° |
| C2 | C19 | C20 | H9 | 148.7° | 25.0° |
| C2 | C19 | C20 | H10 | 28.4° | 145.0° |
| C19 | C2 | C1 | H14 | 179.7° | 179.9° |
| C19 | C2 | C1 | H15 | 59.7° | 59.9° |
| C19 | C2 | C1 | H16 | 60.3° | 60.0° |
| C18 | C19 | C2 | N1 | 0.6° | 0.1° |
| C19 | C18 | O2 | N2 | 179.5° | 180.0° |
| C19 | C18 | N2 | C3 | 11.6° | 0.0° |
| C19 | C18 | N2 | C10 | 175.2° | 180.0° |
| C18 | C19 | C20 | H9 | 32.2° | 154.9° |
| C18 | C19 | C20 | H10 | 152.4° | 35.0° |
| C2 | N1 | C3 | N2 | 0.2° | 0.1° |
| C2 | N1 | C3 | C4 | 179.9° | 180.0° |
| N1 | C2 | C1 | H14 | 0.0° | 0.0° |
| N1 | C2 | C1 | H15 | 120.0° | 120.0° |
| N1 | C2 | C1 | H16 | 120.0° | 120.1° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.6° | 179.8° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C9 | 0.7° | 0.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | N1 | 71.5° | 59.7° |
| C5 | C4 | C3 | N2 | 108.6° | 120.3° |
| C5 | C4 | C3 | C9 | 178.9° | 179.7° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C9 | C8 | 0.8° | 0.0° |
| C5 | C4 | C9 | O1 | 179.8° | 180.0° |
| C4 | C5 | C6 | H2 | 179.7° | 179.9° |
| C11 | C10 | N2 | C18 | 70.9° | 84.5° |
| C11 | C10 | N2 | C3 | 126.1° | 95.6° |
| C11 | C10 | N2 | H4 | 120.4° | 120.0° |
| C11 | C10 | N2 | H5 | 120.4° | 120.0° |
| C11 | C10 | H4 | H5 | 118.8° | 120.0° |
| C10 | C11 | H18 | H19 | 120.7° | 120.0° |
| N1 | C3 | N2 | C18 | 8.3° | 0.0° |
| N1 | C3 | N2 | C4 | 179.8° | 180.0° |
| N1 | C3 | N2 | C10 | 170.6° | 180.0° |
| N1 | C3 | C4 | C9 | 107.4° | 120.0° |
| O2 | C18 | N2 | C3 | 168.8° | 180.0° |
| O2 | C18 | N2 | C10 | 5.2° | 0.1° |
| C18 | N2 | C3 | C10 | 162.3° | 180.0° |
| C18 | N2 | C3 | C4 | 171.6° | 180.0° |
| C18 | N2 | C10 | H4 | 168.7° | 35.5° |
| C18 | N2 | C10 | H5 | 49.5° | 155.5° |
| N2 | C3 | C4 | C9 | 72.5° | 59.9° |
| C3 | N2 | C10 | H4 | 5.7° | 144.4° |
| C3 | N2 | C10 | H5 | 113.5° | 24.5° |
| C10 | N2 | C3 | C4 | 9.3° | 0.0° |
| N2 | C10 | H4 | H5 | 118.8° | 120.0° |
| N2 | C10 | C11 | H18 | 138.1° | 60.0° |
| N2 | C10 | C11 | H19 | 17.6° | 60.0° |
| C3 | C4 | C9 | C8 | 179.7° | 179.7° |
| C3 | C4 | C9 | O1 | 1.0° | 0.2° |
| C3 | C4 | C5 | H1 | 0.4° | 0.3° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | F1 | 179.9° | 180.0° |
| C7 | C6 | C5 | H1 | 179.7° | 180.0° |
| C4 | C9 | C8 | C7 | 0.5° | 0.1° |
| C4 | C9 | C8 | O1 | 179.3° | 179.9° |
| C4 | C9 | C8 | F1 | 179.5° | 179.9° |
| C9 | C4 | C5 | H1 | 179.3° | 180.0° |
| C4 | C9 | O1 | H17 | 180.0° | 90.0° |
| C7 | C8 | C9 | F1 | 180.0° | 180.0° |
| C7 | C8 | C9 | O1 | 179.9° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 179.9° | 180.0° |
| C8 | C9 | O1 | H17 | 0.7° | 90.0° |
| O1 | C9 | C8 | F1 | 0.2° | 0.0° |
| F1 | C8 | C7 | H3 | 0.1° | 0.0° |
| H1 | C5 | C6 | H2 | 0.3° | 0.1° |
| H2 | C6 | C7 | H3 | 0.0° | 0.1° |
| H4 | C10 | C11 | H18 | 101.6° | 180.0° |
| H4 | C10 | C11 | H19 | 138.0° | 60.0° |
| H5 | C10 | C11 | H18 | 17.7° | 60.0° |
| H5 | C10 | C11 | H19 | 102.8° | 180.0° |
| H6 | C13 | C14 | H20 | 0.0° | 0.1° |
| H7 | C15 | C14 | H20 | 0.1° | 0.0° |
| H7 | C15 | C16 | H21 | 0.1° | 0.0° |
| H8 | C17 | C16 | H21 | 0.2° | 0.1° |
| H11 | C22 | C23 | H22 | 0.1° | 0.2° |
| H12 | C24 | C23 | H22 | 0.0° | 0.3° |
| H12 | C24 | C25 | H23 | 0.0° | 0.4° |
| H13 | C26 | C25 | H23 | 0.1° | 0.4° |
| H14 | C1 | H15 | H16 | 120.0° | 119.9° |
