N9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| N4 | C2 | sing | 1.35Å | 1.34Å | |
| N4 | C5 | sing | 1.46Å | 1.45Å | |
| C12 | N11 | doub | 1.30Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.46Å | 1.38Å | Aromatic |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| N11 | N10 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C9 | sing | 1.41Å | 1.37Å | Aromatic |
| C14 | C6 | sing | 1.36Å | 1.40Å | Aromatic |
| N10 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| N10 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N4 | 115.6° | 120.1° |
| C1 | C2 | O3 | 121.9° | 120.0° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | N4 | C5 | 122.0° | 120.0° |
| N4 | C2 | O3 | 122.5° | 120.0° |
| C2 | N4 | H19 | 119.0° | 120.0° |
| N4 | C5 | C6 | 112.6° | 109.5° |
| C5 | N4 | H19 | 119.0° | 120.0° |
| N4 | C5 | H20 | 108.7° | 109.5° |
| N4 | C5 | H21 | 108.7° | 109.5° |
| N11 | C12 | C13 | 110.7° | 107.8° |
| C12 | N11 | N10 | 105.5° | 110.1° |
| N11 | C12 | H24 | 124.6° | 126.1° |
| C12 | C13 | C14 | 135.1° | 134.0° |
| C12 | C13 | C9 | 106.0° | 106.3° |
| C13 | C12 | H24 | 124.7° | 126.1° |
| N11 | N10 | C9 | 110.7° | 109.1° |
| N11 | N10 | H15 | 124.6° | 125.5° |
| C14 | C13 | C9 | 118.9° | 119.7° |
| C13 | C14 | C6 | 120.7° | 119.6° |
| C13 | C14 | H25 | 119.6° | 120.2° |
| C13 | C9 | N10 | 107.1° | 106.7° |
| C13 | C9 | C8 | 121.6° | 119.4° |
| C14 | C6 | C5 | 120.2° | 119.7° |
| C14 | C6 | C7 | 119.0° | 120.6° |
| C6 | C14 | H25 | 119.6° | 120.2° |
| N10 | C9 | C8 | 131.4° | 133.9° |
| C9 | N10 | H15 | 124.7° | 125.5° |
| C9 | C8 | C7 | 119.2° | 119.8° |
| C9 | C8 | H23 | 120.4° | 120.0° |
| C5 | C6 | C7 | 120.9° | 119.7° |
| C6 | C5 | H20 | 108.7° | 109.4° |
| C6 | C5 | H21 | 108.7° | 109.5° |
| C6 | C7 | C8 | 120.6° | 120.9° |
| C6 | C7 | H22 | 119.7° | 119.6° |
| C8 | C7 | H22 | 119.7° | 119.6° |
| C7 | C8 | H23 | 120.4° | 120.1° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H16 | 109.5° | 109.5° |
| H18 | C1 | H16 | 109.4° | 109.4° |
| H20 | C5 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N4 | O3 | 179.8° | 179.9° |
| C1 | C2 | N4 | C5 | 175.4° | 180.0° |
| C2 | C1 | H17 | H18 | 120.0° | 119.9° |
| C2 | C1 | H17 | H16 | 120.0° | 120.1° |
| C2 | C1 | H18 | H16 | 120.0° | 120.0° |
| C1 | C2 | N4 | H19 | 4.6° | 0.1° |
| C2 | N4 | C5 | H19 | 180.0° | 180.0° |
| C2 | N4 | C5 | C6 | 99.2° | 180.0° |
| N4 | C2 | C1 | H17 | 179.8° | 89.9° |
| N4 | C2 | C1 | H18 | 60.2° | 30.1° |
| N4 | C2 | C1 | H16 | 59.8° | 150.0° |
| C2 | N4 | C5 | H20 | 140.3° | 60.1° |
| C2 | N4 | C5 | H21 | 21.3° | 60.0° |
| C5 | N4 | C2 | O3 | 4.8° | 0.1° |
| N4 | C5 | C6 | C14 | 101.4° | 90.3° |
| N4 | C5 | C6 | H20 | 120.5° | 120.0° |
| N4 | C5 | C6 | H21 | 120.5° | 120.0° |
| N4 | C5 | C6 | C7 | 78.0° | 89.9° |
| N4 | C5 | H20 | H21 | 118.6° | 120.0° |
| N11 | C12 | C13 | H24 | 180.0° | 180.0° |
| N11 | C12 | C13 | C14 | 179.2° | 180.0° |
| N11 | C12 | C13 | C9 | 0.3° | 0.0° |
| C12 | N11 | N10 | C9 | 0.5° | 0.0° |
| C12 | N11 | N10 | H15 | 179.5° | 180.0° |
| C13 | C12 | N11 | N10 | 0.5° | 0.0° |
| C12 | C13 | C14 | C9 | 179.5° | 180.0° |
| C12 | C13 | C14 | C6 | 179.7° | 179.9° |
| C12 | C13 | C9 | N10 | 0.0° | 0.0° |
| C12 | C13 | C9 | C8 | 180.0° | 179.7° |
| C12 | C13 | C14 | H25 | 0.3° | 0.0° |
| O3 | C2 | C1 | H17 | 0.0° | 90.0° |
| O3 | C2 | C1 | H18 | 120.0° | 150.0° |
| O3 | C2 | C1 | H16 | 120.0° | 30.1° |
| O3 | C2 | N4 | H19 | 175.2° | 180.0° |
| N11 | N10 | C9 | C13 | 0.3° | 0.0° |
| N11 | N10 | C9 | H15 | 180.0° | 180.0° |
| N11 | N10 | C9 | C8 | 179.7° | 179.6° |
| N10 | N11 | C12 | H24 | 179.5° | 180.0° |
| C13 | C14 | C6 | H25 | 180.0° | 179.9° |
| C14 | C13 | C9 | N10 | 179.7° | 180.0° |
| C14 | C13 | C9 | C8 | 0.4° | 0.3° |
| C13 | C14 | C6 | C5 | 179.4° | 180.0° |
| C13 | C14 | C6 | C7 | 0.0° | 0.2° |
| C14 | C13 | C12 | H24 | 0.8° | 0.0° |
| C9 | C13 | C14 | C6 | 0.2° | 0.0° |
| C13 | C9 | N10 | C8 | 180.0° | 179.6° |
| C13 | C9 | C8 | C7 | 0.4° | 0.3° |
| C13 | C9 | C8 | H23 | 179.6° | 179.8° |
| C9 | C13 | C12 | H24 | 179.7° | 180.0° |
| C9 | C13 | C14 | H25 | 179.8° | 180.0° |
| C13 | C9 | N10 | H15 | 179.7° | 180.0° |
| C14 | C6 | C5 | C7 | 179.4° | 179.8° |
| C14 | C6 | C7 | C8 | 0.0° | 0.2° |
| C14 | C6 | C5 | H20 | 19.1° | 149.8° |
| C14 | C6 | C5 | H21 | 138.1° | 29.8° |
| C14 | C6 | C7 | H22 | 180.0° | 179.7° |
| N10 | C9 | C8 | C7 | 179.6° | 179.9° |
| N10 | C9 | C8 | H23 | 0.4° | 0.2° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C9 | C8 | C7 | H23 | 180.0° | 179.9° |
| C9 | C8 | C7 | H22 | 179.8° | 180.0° |
| C8 | C9 | N10 | H15 | 0.3° | 0.4° |
| C5 | C6 | C7 | C8 | 179.4° | 180.0° |
| C6 | C5 | N4 | H19 | 80.8° | 0.0° |
| C6 | C5 | H20 | H21 | 118.5° | 120.0° |
| C5 | C6 | C7 | H22 | 0.6° | 0.1° |
| C5 | C6 | C14 | H25 | 0.6° | 0.1° |
| C6 | C7 | C8 | H22 | 180.0° | 179.9° |
| C7 | C6 | C5 | H20 | 161.6° | 30.1° |
| C7 | C6 | C5 | H21 | 42.5° | 150.1° |
| C6 | C7 | C8 | H23 | 179.8° | 180.0° |
| C7 | C6 | C14 | H25 | 180.0° | 179.7° |
| H17 | C1 | H18 | H16 | 120.0° | 120.0° |
| H19 | N4 | C5 | H20 | 39.7° | 120.0° |
| H19 | N4 | C5 | H21 | 158.7° | 120.0° |
| H22 | C7 | C8 | H23 | 0.2° | 0.1° |
