9OF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C10 | sing | 1.39Å | 1.39Å | |
| N17 | C10 | doub | 1.33Å | 1.35Å | Aromatic |
| N17 | C4 | sing | 1.32Å | 1.32Å | Aromatic |
| C10 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.50Å | 1.53Å | |
| N16 | C9 | sing | 1.33Å | 1.37Å | Aromatic |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C5 | sing | 1.48Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C5 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.50Å | 1.50Å | |
| C6 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | O19 | sing | 1.36Å | 1.40Å | |
| O19 | C15 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N18 | H16 | sing | 0.97Å | 1.00Å | |
| N18 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C10 | N17 | 113.5° | 120.7° |
| N18 | C10 | C7 | 121.7° | 120.7° |
| C10 | N18 | H16 | 109.5° | 120.0° |
| C10 | N18 | H17 | 109.5° | 120.0° |
| C10 | N17 | C4 | 115.7° | 121.1° |
| N17 | C10 | C7 | 124.7° | 118.6° |
| N17 | C4 | N16 | 126.1° | 122.1° |
| N17 | C4 | H1 | 116.9° | 119.0° |
| C10 | C7 | C9 | 114.1° | 118.5° |
| C10 | C7 | C12 | 125.3° | 121.1° |
| C4 | N16 | C9 | 117.5° | 120.5° |
| N16 | C4 | H1 | 117.0° | 119.0° |
| C13 | C12 | C7 | 108.5° | 109.2° |
| C13 | C12 | C14 | 108.0° | 109.2° |
| C13 | C12 | C11 | 110.0° | 109.2° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C9 | C7 | C12 | 120.6° | 120.4° |
| C7 | C9 | N16 | 121.9° | 119.3° |
| C7 | C9 | C5 | 121.0° | 119.3° |
| C7 | C12 | C14 | 116.0° | 109.3° |
| C7 | C12 | C11 | 109.2° | 110.7° |
| N16 | C9 | C5 | 117.0° | 121.4° |
| C14 | C12 | C11 | 105.1° | 109.2° |
| C12 | C14 | H10 | 109.5° | 109.4° |
| C12 | C14 | H11 | 109.5° | 109.5° |
| C12 | C14 | H12 | 109.5° | 109.5° |
| C9 | C5 | C1 | 122.6° | 121.1° |
| C9 | C5 | C6 | 118.0° | 118.9° |
| C12 | C11 | C6 | 113.4° | 110.8° |
| C12 | C11 | H5 | 108.5° | 109.2° |
| C12 | C11 | H6 | 108.5° | 109.2° |
| C1 | C5 | C6 | 119.4° | 120.1° |
| C5 | C1 | C2 | 121.1° | 119.9° |
| C5 | C1 | H4 | 119.5° | 120.0° |
| C5 | C6 | C11 | 120.5° | 120.1° |
| C5 | C6 | C3 | 119.0° | 119.7° |
| C1 | C2 | C8 | 118.6° | 120.0° |
| C1 | C2 | H3 | 120.7° | 120.1° |
| C2 | C1 | H4 | 119.4° | 120.1° |
| C11 | C6 | C3 | 120.5° | 120.2° |
| C6 | C11 | H5 | 108.5° | 109.2° |
| C6 | C11 | H6 | 108.5° | 109.2° |
| C6 | C3 | C8 | 120.8° | 120.1° |
| C6 | C3 | H2 | 119.6° | 119.9° |
| C2 | C8 | C3 | 121.3° | 120.2° |
| C2 | C8 | O19 | 123.9° | 119.9° |
| C8 | C2 | H3 | 120.7° | 120.0° |
| C3 | C8 | O19 | 114.8° | 119.9° |
| C8 | C3 | H2 | 119.6° | 120.0° |
| C8 | O19 | C15 | 112.3° | 117.0° |
| O19 | C15 | H13 | 109.5° | 109.4° |
| O19 | C15 | H14 | 109.5° | 109.5° |
| O19 | C15 | H15 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.2° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H9 | 109.5° | 109.4° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | N18 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C10 | N17 | C7 | 178.7° | 180.0° |
| N18 | C10 | N17 | C4 | 179.3° | 180.0° |
| N18 | C10 | C7 | C9 | 178.4° | 179.4° |
| N18 | C10 | C7 | C12 | 0.9° | 1.0° |
| C10 | N18 | H16 | H17 | 120.0° | 180.0° |
| C10 | N17 | C4 | N16 | 1.8° | 0.3° |
| N17 | C10 | C7 | C9 | 0.2° | 0.6° |
| N17 | C10 | C7 | C12 | 179.5° | 179.0° |
| C10 | N17 | C4 | H1 | 178.2° | 179.7° |
| N17 | C10 | N18 | H16 | 0.0° | 130.2° |
| N17 | C10 | N18 | H17 | 120.0° | 49.7° |
| C4 | N17 | C10 | C7 | 0.6° | 0.0° |
| N17 | C4 | N16 | H1 | 180.0° | 179.9° |
| N17 | C4 | N16 | C9 | 2.0° | 0.1° |
| C10 | C7 | C12 | C13 | 88.8° | 24.8° |
| C10 | C7 | C9 | C12 | 179.4° | 179.6° |
| C10 | C7 | C9 | N16 | 0.0° | 0.9° |
| C10 | C7 | C12 | C14 | 32.9° | 94.6° |
| C10 | C7 | C9 | C5 | 177.1° | 178.7° |
| C10 | C7 | C12 | C11 | 151.3° | 145.1° |
| C7 | C10 | N18 | H16 | 178.7° | 49.8° |
| C7 | C10 | N18 | H17 | 58.7° | 130.3° |
| C4 | N16 | C9 | C7 | 1.0° | 0.7° |
| C4 | N16 | C9 | C5 | 178.2° | 178.9° |
| C13 | C12 | C7 | C9 | 90.5° | 155.5° |
| C13 | C12 | C7 | C14 | 121.7° | 119.4° |
| C13 | C12 | C7 | C11 | 119.9° | 120.3° |
| C13 | C12 | C14 | C11 | 117.4° | 119.4° |
| C13 | C12 | C11 | C6 | 72.6° | 170.6° |
| C13 | C12 | C11 | H5 | 166.9° | 50.2° |
| C13 | C12 | C11 | H6 | 48.0° | 69.1° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C14 | H10 | 180.0° | 59.4° |
| C13 | C12 | C14 | H11 | 60.0° | 60.6° |
| C13 | C12 | C14 | H12 | 60.0° | 179.4° |
| C7 | C9 | N16 | C5 | 177.2° | 179.6° |
| C9 | C7 | C12 | C14 | 147.8° | 85.1° |
| C9 | C7 | C12 | C11 | 29.4° | 35.2° |
| C7 | C9 | C5 | C1 | 160.5° | 164.4° |
| C7 | C9 | C5 | C6 | 17.3° | 16.2° |
| C12 | C7 | C9 | N16 | 179.4° | 178.7° |
| C7 | C12 | C14 | C11 | 120.7° | 121.2° |
| C12 | C7 | C9 | C5 | 2.3° | 1.7° |
| C7 | C12 | C11 | C6 | 46.4° | 50.2° |
| C7 | C12 | C11 | H5 | 74.2° | 70.1° |
| C7 | C12 | C11 | H6 | 166.9° | 170.6° |
| C7 | C12 | C13 | H7 | 180.0° | 37.1° |
| C7 | C12 | C13 | H8 | 60.0° | 157.0° |
| C7 | C12 | C13 | H9 | 60.0° | 83.0° |
| C7 | C12 | C14 | H10 | 58.1° | 60.0° |
| C7 | C12 | C14 | H11 | 61.9° | 180.0° |
| C7 | C12 | C14 | H12 | 178.1° | 60.0° |
| N16 | C9 | C5 | C1 | 16.8° | 16.0° |
| N16 | C9 | C5 | C6 | 165.4° | 163.4° |
| C9 | N16 | C4 | H1 | 178.0° | 180.0° |
| C14 | C12 | C11 | C6 | 171.4° | 70.1° |
| C14 | C12 | C11 | H5 | 50.9° | 169.6° |
| C14 | C12 | C11 | H6 | 68.0° | 50.3° |
| C14 | C12 | C13 | H7 | 53.6° | 156.5° |
| C14 | C12 | C13 | H8 | 66.4° | 83.5° |
| C14 | C12 | C13 | H9 | 173.6° | 36.5° |
| C12 | C14 | H10 | H11 | 120.0° | 120.0° |
| C12 | C14 | H10 | H12 | 120.0° | 120.0° |
| C12 | C14 | H11 | H12 | 120.0° | 120.0° |
| C9 | C5 | C1 | C6 | 177.8° | 179.4° |
| C9 | C5 | C1 | C2 | 178.1° | 179.6° |
| C9 | C5 | C6 | C11 | 2.6° | 2.5° |
| C9 | C5 | C6 | C3 | 177.9° | 179.0° |
| C9 | C5 | C1 | H4 | 1.9° | 0.5° |
| C12 | C11 | C6 | C5 | 35.7° | 36.0° |
| C12 | C11 | C6 | H5 | 120.6° | 120.4° |
| C12 | C11 | C6 | H6 | 120.6° | 120.3° |
| C12 | C11 | C6 | C3 | 144.8° | 145.5° |
| C12 | C11 | H5 | H6 | 118.3° | 119.3° |
| C11 | C12 | C13 | H7 | 60.6° | 84.1° |
| C11 | C12 | C13 | H8 | 179.4° | 35.8° |
| C11 | C12 | C13 | H9 | 59.4° | 155.9° |
| C11 | C12 | C14 | H10 | 62.6° | 178.8° |
| C11 | C12 | C14 | H11 | 177.4° | 58.8° |
| C11 | C12 | C14 | H12 | 57.4° | 61.2° |
| C5 | C1 | C2 | H4 | 180.0° | 180.0° |
| C1 | C5 | C6 | C11 | 179.5° | 176.9° |
| C1 | C5 | C6 | C3 | 0.0° | 1.6° |
| C5 | C1 | C2 | C8 | 0.7° | 0.1° |
| C5 | C1 | C2 | H3 | 179.3° | 180.0° |
| C6 | C5 | C1 | C2 | 0.3° | 1.1° |
| C5 | C6 | C11 | C3 | 179.5° | 178.6° |
| C5 | C6 | C3 | C8 | 0.0° | 1.0° |
| C5 | C6 | C3 | H2 | 180.0° | 178.9° |
| C6 | C5 | C1 | H4 | 179.7° | 178.9° |
| C5 | C6 | C11 | H5 | 84.9° | 84.4° |
| C5 | C6 | C11 | H6 | 156.2° | 156.3° |
| C1 | C2 | C8 | H3 | 180.0° | 179.9° |
| C1 | C2 | C8 | C3 | 0.7° | 0.7° |
| C1 | C2 | C8 | O19 | 179.9° | 179.4° |
| C11 | C6 | C3 | C8 | 179.5° | 177.5° |
| C11 | C6 | C3 | H2 | 0.5° | 2.6° |
| C6 | C11 | H5 | H6 | 118.2° | 119.4° |
| C6 | C3 | C8 | C2 | 0.4° | 0.1° |
| C6 | C3 | C8 | H2 | 180.0° | 179.9° |
| C6 | C3 | C8 | O19 | 179.7° | 180.0° |
| C3 | C6 | C11 | H5 | 94.6° | 94.2° |
| C3 | C6 | C11 | H6 | 24.3° | 25.2° |
| C2 | C8 | C3 | O19 | 179.3° | 179.9° |
| C2 | C8 | O19 | C15 | 5.5° | 0.1° |
| C2 | C8 | C3 | H2 | 179.6° | 180.0° |
| C8 | C2 | C1 | H4 | 179.3° | 179.9° |
| C3 | C8 | O19 | C15 | 175.2° | 180.0° |
| C3 | C8 | C2 | H3 | 179.3° | 179.4° |
| O19 | C8 | C3 | H2 | 0.3° | 0.1° |
| O19 | C8 | C2 | H3 | 0.1° | 0.5° |
| C8 | O19 | C15 | H13 | 180.0° | 60.1° |
| C8 | O19 | C15 | H14 | 60.0° | 60.0° |
| C8 | O19 | C15 | H15 | 60.0° | 180.0° |
| O19 | C15 | H13 | H14 | 120.0° | 120.0° |
| O19 | C15 | H13 | H15 | 120.0° | 120.0° |
| O19 | C15 | H14 | H15 | 120.0° | 120.0° |
| H3 | C2 | C1 | H4 | 0.7° | 0.1° |
| H7 | C13 | H8 | H9 | 120.0° | 119.9° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
