F9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C8 | doub | 1.22Å | 1.22Å | |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | F2 | sing | 1.40Å | 1.32Å | |
| C1 | F3 | sing | 1.40Å | 1.32Å | |
| N1 | C8 | sing | 1.35Å | 1.34Å | |
| N1 | C9 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | doub | 1.40Å | 1.50Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C15 | sing | 1.47Å | 1.46Å | |
| N2 | C16 | sing | 1.47Å | 1.46Å | |
| N2 | C17 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C15 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C8 | N1 | 123.9° | 120.0° |
| O | C8 | C3 | 120.2° | 120.0° |
| F1 | C1 | C2 | 110.7° | 109.4° |
| F1 | C1 | F2 | 109.5° | 109.5° |
| F1 | C1 | F3 | 108.7° | 109.5° |
| C2 | C1 | F2 | 108.7° | 109.5° |
| C2 | C1 | F3 | 109.8° | 109.5° |
| C1 | C2 | C3 | 123.2° | 120.0° |
| C1 | C2 | C7 | 118.6° | 120.1° |
| F2 | C1 | F3 | 109.4° | 109.5° |
| C8 | N1 | C9 | 128.2° | 120.0° |
| N1 | C8 | C3 | 115.9° | 120.0° |
| C8 | N1 | HN1 | 115.9° | 120.0° |
| N1 | C9 | C10 | 116.8° | 120.0° |
| N1 | C9 | C14 | 123.8° | 120.0° |
| C9 | N1 | HN1 | 115.9° | 120.0° |
| C3 | C2 | C7 | 118.2° | 119.9° |
| C2 | C3 | C4 | 118.3° | 119.7° |
| C2 | C3 | C8 | 124.2° | 120.2° |
| C2 | C7 | C6 | 120.9° | 120.1° |
| C2 | C7 | H7 | 119.6° | 119.9° |
| C15 | N2 | C16 | 120.3° | 111.0° |
| C15 | N2 | C17 | 119.6° | 111.0° |
| N2 | C15 | C11 | 111.9° | 109.5° |
| N2 | C15 | H15 | 108.7° | 109.4° |
| N2 | C15 | H15A | 108.7° | 109.5° |
| C16 | N2 | C17 | 120.1° | 111.0° |
| N2 | C16 | H16 | 109.5° | 109.5° |
| N2 | C16 | H16A | 109.5° | 109.5° |
| N2 | C16 | H16B | 109.5° | 109.5° |
| N2 | C17 | H17 | 109.5° | 109.5° |
| N2 | C17 | H17A | 109.4° | 109.4° |
| N2 | C17 | H17B | 109.5° | 109.5° |
| C4 | C3 | C8 | 117.5° | 120.2° |
| C3 | C4 | C5 | 120.9° | 119.9° |
| C3 | C4 | H4 | 119.6° | 120.1° |
| C4 | C5 | C6 | 120.8° | 120.2° |
| C5 | C4 | H4 | 119.5° | 120.1° |
| C4 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | C7 | 120.9° | 120.3° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | H6 | 119.6° | 119.9° |
| C7 | C6 | H6 | 119.6° | 119.8° |
| C6 | C7 | H7 | 119.5° | 119.9° |
| C10 | C9 | C14 | 119.4° | 119.9° |
| C9 | C10 | C11 | 120.8° | 119.9° |
| C9 | C10 | H10 | 119.6° | 120.1° |
| C9 | C14 | C13 | 120.0° | 119.9° |
| C9 | C14 | H14 | 120.0° | 120.1° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C10 | C11 | C15 | 119.5° | 120.0° |
| C11 | C10 | H10 | 119.6° | 120.0° |
| C12 | C11 | C15 | 120.9° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.2° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C11 | C15 | H15 | 108.7° | 109.5° |
| C11 | C15 | H15A | 108.7° | 109.5° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | H13 | 119.9° | 119.9° |
| C14 | C13 | H13 | 119.9° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| H15 | C15 | H15A | 110.3° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C8 | N1 | C3 | 179.4° | 180.0° |
| O | C8 | N1 | C9 | 0.2° | 5.3° |
| O | C8 | C3 | C2 | 47.2° | 0.0° |
| O | C8 | C3 | C4 | 133.3° | 180.0° |
| O | C8 | N1 | HN1 | 179.7° | 174.7° |
| F1 | C1 | C2 | F2 | 120.3° | 120.0° |
| F1 | C1 | C2 | F3 | 120.0° | 120.0° |
| F1 | C1 | F2 | F3 | 119.0° | 120.0° |
| F1 | C1 | C2 | C3 | 34.7° | 180.0° |
| F1 | C1 | C2 | C7 | 145.8° | 0.2° |
| C2 | C1 | F2 | F3 | 119.9° | 120.0° |
| C1 | C2 | C3 | C7 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C3 | C8 | 0.5° | 0.0° |
| C1 | C2 | C7 | C6 | 179.8° | 179.8° |
| C1 | C2 | C7 | H7 | 0.2° | 0.0° |
| F2 | C1 | C2 | C3 | 85.7° | 60.0° |
| F2 | C1 | C2 | C7 | 93.9° | 120.3° |
| F3 | C1 | C2 | C3 | 154.7° | 60.0° |
| F3 | C1 | C2 | C7 | 25.7° | 119.7° |
| C8 | N1 | C9 | HN1 | 180.0° | 180.0° |
| N1 | C8 | C3 | C2 | 133.4° | 180.0° |
| N1 | C8 | C3 | C4 | 46.2° | 0.0° |
| C8 | N1 | C9 | C10 | 179.9° | 33.3° |
| C8 | N1 | C9 | C14 | 0.1° | 146.4° |
| C9 | N1 | C8 | C3 | 179.6° | 174.7° |
| N1 | C9 | C10 | C14 | 179.9° | 179.8° |
| N1 | C9 | C10 | C11 | 179.8° | 180.0° |
| N1 | C9 | C14 | C13 | 180.0° | 179.7° |
| N1 | C9 | C10 | H10 | 0.2° | 0.0° |
| N1 | C9 | C14 | H14 | 0.0° | 0.0° |
| C2 | C3 | C4 | C8 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.5° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C7 | H7 | 179.8° | 179.7° |
| C7 | C2 | C3 | C4 | 0.4° | 0.2° |
| C7 | C2 | C3 | C8 | 179.9° | 179.8° |
| C2 | C7 | C6 | C5 | 0.0° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 180.0° | 179.7° |
| C15 | N2 | C16 | C17 | 179.5° | 123.9° |
| N2 | C15 | C11 | C10 | 99.2° | 90.0° |
| N2 | C15 | C11 | C12 | 81.3° | 90.0° |
| N2 | C15 | C11 | H15 | 120.0° | 120.0° |
| N2 | C15 | C11 | H15A | 120.0° | 120.0° |
| N2 | C15 | H15 | H15A | 119.0° | 120.0° |
| C15 | N2 | C16 | H16 | 180.0° | 60.0° |
| C15 | N2 | C16 | H16A | 60.0° | 180.0° |
| C15 | N2 | C16 | H16B | 60.0° | 60.0° |
| C15 | N2 | C17 | H17 | 180.0° | 60.0° |
| C15 | N2 | C17 | H17A | 60.0° | 180.0° |
| C15 | N2 | C17 | H17B | 60.0° | 60.0° |
| C16 | N2 | C15 | C11 | 77.7° | 66.1° |
| C16 | N2 | C15 | H15 | 162.3° | 173.9° |
| C16 | N2 | C15 | H15A | 42.3° | 53.9° |
| N2 | C16 | H16 | H16A | 120.0° | 120.1° |
| N2 | C16 | H16 | H16B | 120.0° | 120.0° |
| N2 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | N2 | C17 | H17 | 0.4° | 176.1° |
| C16 | N2 | C17 | H17A | 119.5° | 56.1° |
| C16 | N2 | C17 | H17B | 120.4° | 63.9° |
| C17 | N2 | C15 | C11 | 102.8° | 170.0° |
| C17 | N2 | C15 | H15 | 17.2° | 50.0° |
| C17 | N2 | C15 | H15A | 137.2° | 70.0° |
| C17 | N2 | C16 | H16 | 0.4° | 64.0° |
| C17 | N2 | C16 | H16A | 120.5° | 56.1° |
| C17 | N2 | C16 | H16B | 119.6° | 176.1° |
| N2 | C17 | H17 | H17A | 120.0° | 120.0° |
| N2 | C17 | H17 | H17B | 120.0° | 120.0° |
| N2 | C17 | H17A | H17B | 120.0° | 120.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C8 | C3 | C4 | C5 | 179.8° | 180.0° |
| C3 | C8 | N1 | HN1 | 0.3° | 5.3° |
| C8 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.7° |
| C7 | C6 | C5 | H5 | 179.8° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | C15 | 179.7° | 180.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.5° |
| C10 | C9 | N1 | HN1 | 0.1° | 146.7° |
| C10 | C9 | C14 | H14 | 179.9° | 179.7° |
| C14 | C9 | C10 | C11 | 0.1° | 0.2° |
| C9 | C14 | C13 | C12 | 0.1° | 0.5° |
| C9 | C14 | C13 | H14 | 180.0° | 179.8° |
| C14 | C9 | N1 | HN1 | 179.9° | 33.6° |
| C14 | C9 | C10 | H10 | 179.9° | 179.7° |
| C9 | C14 | C13 | H13 | 179.9° | 179.7° |
| C10 | C11 | C12 | C15 | 179.4° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C10 | C11 | C15 | H15 | 140.8° | 30.0° |
| C10 | C11 | C15 | H15A | 20.8° | 150.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C11 | C10 | H10 | 179.7° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C12 | C11 | C15 | H15 | 38.7° | 150.0° |
| C12 | C11 | C15 | H15A | 158.7° | 30.0° |
| C15 | C11 | C12 | C13 | 179.7° | 180.0° |
| C15 | C11 | C10 | H10 | 0.3° | 0.0° |
| C15 | C11 | C12 | H12 | 0.3° | 0.0° |
| C11 | C15 | H15 | H15A | 119.0° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | H14 | 179.9° | 179.7° |
| C14 | C13 | C12 | H12 | 179.9° | 179.8° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H6 | C6 | C7 | H7 | 0.0° | 0.1° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.1° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
