A1CN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F13 | C13 | sing | 1.35Å | 1.34Å | |
| F12 | C12 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O09 | sing | 1.36Å | 1.38Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C21 | sing | 1.51Å | 1.51Å | |
| O09 | C08 | sing | 1.43Å | 1.43Å | |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C24 | N23 | sing | 1.48Å | 1.47Å | |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C06 | sing | 1.51Å | 1.52Å | |
| C06 | N01 | doub | 1.32Å | 1.34Å | Aromatic |
| C25 | F27 | sing | 1.40Å | 1.37Å | |
| C25 | C26 | sing | 1.54Å | 1.52Å | |
| C22 | N23 | sing | 1.47Å | 1.48Å | |
| N23 | C26 | sing | 1.48Å | 1.47Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.34Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F13 | C13 | C12 | 119.9° | 120.0° |
| F13 | C13 | C14 | 119.2° | 120.0° |
| F12 | C12 | C13 | 119.8° | 120.1° |
| F12 | C12 | C11 | 119.9° | 120.1° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C13 | C12 | C11 | 120.2° | 119.8° |
| C13 | C14 | C15 | 119.5° | 120.1° |
| C13 | C14 | H11 | 120.2° | 119.9° |
| C12 | C11 | O09 | 118.3° | 120.0° |
| C12 | C11 | C16 | 119.0° | 119.9° |
| C14 | C15 | C16 | 119.9° | 120.1° |
| C14 | C15 | C21 | 118.3° | 119.9° |
| C15 | C14 | H11 | 120.2° | 120.0° |
| O09 | C11 | C16 | 122.7° | 120.1° |
| C11 | O09 | C08 | 124.4° | 117.0° |
| C11 | C16 | C15 | 120.4° | 120.0° |
| C11 | C16 | H8 | 119.8° | 120.0° |
| C16 | C15 | C21 | 121.8° | 119.9° |
| C15 | C16 | H8 | 119.8° | 120.0° |
| C15 | C21 | C22 | 113.8° | 109.5° |
| C15 | C21 | H6 | 108.4° | 109.5° |
| C15 | C21 | H7 | 108.4° | 109.5° |
| O09 | C08 | C06 | 110.9° | 109.5° |
| O09 | C08 | H17 | 109.1° | 109.5° |
| O09 | C08 | H18 | 109.1° | 109.4° |
| C07 | C04 | C05 | 120.9° | 120.7° |
| C07 | C04 | C03 | 120.2° | 120.7° |
| C04 | C07 | H14 | 109.5° | 109.5° |
| C04 | C07 | H15 | 109.5° | 109.4° |
| C04 | C07 | H16 | 109.5° | 109.4° |
| C04 | C05 | C06 | 119.8° | 119.3° |
| C05 | C04 | C03 | 118.9° | 118.5° |
| C04 | C05 | H13 | 120.1° | 120.4° |
| C05 | C06 | C08 | 121.8° | 119.5° |
| C05 | C06 | N01 | 119.8° | 120.9° |
| C06 | C05 | H13 | 120.1° | 120.4° |
| C21 | C22 | N23 | 113.1° | 109.5° |
| C22 | C21 | H6 | 108.4° | 109.5° |
| C22 | C21 | H7 | 108.4° | 109.5° |
| C21 | C22 | H9 | 108.6° | 109.4° |
| C21 | C22 | H10 | 108.5° | 109.4° |
| C25 | C24 | N23 | 90.3° | 86.2° |
| C24 | C25 | F27 | 112.2° | 113.7° |
| C24 | C25 | C26 | 87.8° | 86.3° |
| C24 | C25 | H3 | 112.9° | 113.9° |
| C25 | C24 | H4 | 114.0° | 113.7° |
| C25 | C24 | H5 | 114.0° | 113.7° |
| C24 | N23 | C22 | 113.3° | 111.0° |
| C24 | N23 | C26 | 91.6° | 90.6° |
| N23 | C24 | H4 | 114.0° | 113.8° |
| N23 | C24 | H5 | 114.0° | 113.8° |
| C04 | C03 | C02 | 119.6° | 119.1° |
| C04 | C03 | H12 | 120.2° | 120.5° |
| C08 | C06 | N01 | 118.4° | 119.6° |
| C06 | C08 | H17 | 109.1° | 109.5° |
| C06 | C08 | H18 | 109.1° | 109.5° |
| C06 | N01 | C02 | 122.0° | 121.6° |
| F27 | C25 | C26 | 112.4° | 113.7° |
| F27 | C25 | H3 | 115.6° | 113.0° |
| C25 | C26 | N23 | 90.3° | 86.3° |
| C25 | C26 | H1 | 114.0° | 113.8° |
| C25 | C26 | H2 | 114.0° | 113.8° |
| C26 | C25 | H3 | 112.8° | 113.7° |
| C22 | N23 | C26 | 115.2° | 111.0° |
| N23 | C22 | H9 | 108.5° | 109.5° |
| N23 | C22 | H10 | 108.6° | 109.5° |
| N23 | C26 | H1 | 114.0° | 113.8° |
| N23 | C26 | H2 | 114.1° | 113.7° |
| C03 | C02 | N01 | 119.9° | 120.6° |
| C03 | C02 | N02 | 120.9° | 119.7° |
| C02 | C03 | H12 | 120.2° | 120.5° |
| N01 | C02 | N02 | 119.1° | 119.7° |
| C02 | N02 | H19 | 109.5° | 120.0° |
| C02 | N02 | H20 | 109.5° | 120.0° |
| H1 | C26 | H2 | 109.5° | 113.0° |
| H4 | C24 | H5 | 109.5° | 113.0° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H14 | C07 | H16 | 109.4° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| H19 | N02 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F13 | C13 | C12 | F12 | 0.1° | 0.4° |
| F13 | C13 | C12 | C14 | 180.0° | 179.7° |
| F13 | C13 | C12 | C11 | 180.0° | 180.0° |
| F13 | C13 | C14 | C15 | 179.4° | 180.0° |
| F13 | C13 | C14 | H11 | 0.6° | 0.1° |
| F12 | C12 | C13 | C11 | 179.9° | 179.6° |
| F12 | C12 | C13 | C14 | 179.9° | 180.0° |
| F12 | C12 | C11 | O09 | 0.5° | 0.4° |
| F12 | C12 | C11 | C16 | 179.8° | 179.7° |
| C12 | C13 | C14 | C15 | 0.6° | 0.3° |
| C13 | C12 | C11 | O09 | 179.6° | 180.0° |
| C13 | C12 | C11 | C16 | 0.4° | 0.1° |
| C12 | C13 | C14 | H11 | 179.4° | 179.8° |
| C14 | C13 | C12 | C11 | 0.0° | 0.4° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C13 | C14 | C15 | C21 | 179.8° | 180.0° |
| C12 | C11 | O09 | C16 | 179.2° | 179.9° |
| C12 | C11 | C16 | C15 | 0.1° | 0.3° |
| C12 | C11 | O09 | C08 | 165.5° | 180.0° |
| C12 | C11 | C16 | H8 | 179.9° | 180.0° |
| C14 | C15 | C16 | C11 | 0.5° | 0.3° |
| C14 | C15 | C16 | C21 | 178.9° | 180.0° |
| C14 | C15 | C21 | C22 | 91.7° | 90.0° |
| C14 | C15 | C21 | H6 | 147.6° | 30.0° |
| C14 | C15 | C21 | H7 | 28.9° | 150.0° |
| C14 | C15 | C16 | H8 | 179.5° | 180.0° |
| O09 | C11 | C16 | C15 | 179.3° | 179.7° |
| C11 | O09 | C08 | C06 | 170.9° | 180.0° |
| O09 | C11 | C16 | H8 | 0.6° | 0.1° |
| C11 | O09 | C08 | H17 | 68.8° | 60.0° |
| C11 | O09 | C08 | H18 | 50.7° | 60.0° |
| C11 | C16 | C15 | H8 | 180.0° | 179.8° |
| C11 | C16 | C15 | C21 | 179.4° | 179.7° |
| C16 | C11 | O09 | C08 | 15.2° | 0.1° |
| C16 | C15 | C21 | C22 | 89.3° | 90.0° |
| C16 | C15 | C21 | H6 | 31.3° | 150.0° |
| C16 | C15 | C21 | H7 | 150.0° | 30.0° |
| C16 | C15 | C14 | H11 | 179.2° | 179.9° |
| C15 | C21 | C22 | H6 | 120.6° | 120.0° |
| C15 | C21 | C22 | H7 | 120.7° | 120.0° |
| C15 | C21 | C22 | N23 | 149.9° | 180.0° |
| C15 | C21 | H6 | H7 | 118.0° | 120.0° |
| C21 | C15 | C16 | H8 | 0.6° | 0.0° |
| C15 | C21 | C22 | H9 | 29.4° | 60.0° |
| C15 | C21 | C22 | H10 | 89.5° | 60.0° |
| C21 | C15 | C14 | H11 | 0.3° | 0.1° |
| O09 | C08 | C06 | C05 | 6.8° | 0.0° |
| O09 | C08 | C06 | H17 | 120.2° | 120.0° |
| O09 | C08 | C06 | H18 | 120.2° | 119.9° |
| O09 | C08 | C06 | N01 | 173.6° | 179.7° |
| O09 | C08 | H17 | H18 | 119.3° | 120.0° |
| C07 | C04 | C05 | C03 | 179.9° | 180.0° |
| C07 | C04 | C05 | C06 | 179.6° | 180.0° |
| C07 | C04 | C03 | C02 | 179.6° | 180.0° |
| C07 | C04 | C03 | H12 | 0.5° | 0.0° |
| C07 | C04 | C05 | H13 | 0.4° | 0.0° |
| C04 | C07 | H14 | H15 | 120.0° | 120.0° |
| C04 | C07 | H14 | H16 | 120.0° | 120.0° |
| C04 | C07 | H15 | H16 | 120.0° | 119.9° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | C08 | 179.6° | 179.9° |
| C04 | C05 | C06 | N01 | 0.0° | 0.3° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C05 | C04 | C03 | H12 | 179.4° | 180.0° |
| C05 | C04 | C07 | H14 | 89.9° | 90.0° |
| C05 | C04 | C07 | H15 | 150.1° | 30.0° |
| C05 | C04 | C07 | H16 | 30.1° | 149.9° |
| C06 | C05 | C04 | C03 | 0.6° | 0.0° |
| C05 | C06 | C08 | N01 | 179.6° | 179.6° |
| C05 | C06 | N01 | C02 | 0.5° | 0.6° |
| C05 | C06 | C08 | H17 | 127.0° | 120.0° |
| C05 | C06 | C08 | H18 | 113.4° | 120.0° |
| C21 | C22 | N23 | C24 | 37.5° | 170.0° |
| C21 | C22 | N23 | H9 | 120.5° | 120.0° |
| C21 | C22 | N23 | H10 | 120.5° | 120.0° |
| C21 | C22 | N23 | C26 | 66.2° | 90.8° |
| C22 | C21 | H6 | H7 | 118.0° | 120.0° |
| C21 | C22 | H9 | H10 | 118.3° | 119.9° |
| C25 | C24 | N23 | H4 | 116.6° | 114.3° |
| C25 | C24 | N23 | H5 | 116.6° | 114.3° |
| C24 | C25 | F27 | C26 | 97.1° | 96.7° |
| C24 | C25 | F27 | H3 | 131.4° | 131.8° |
| C24 | C25 | C26 | H3 | 114.0° | 114.5° |
| C25 | C24 | N23 | C22 | 118.4° | 137.6° |
| C25 | C24 | N23 | C26 | 0.0° | 24.7° |
| C24 | C25 | C26 | H1 | 116.6° | 90.6° |
| C24 | C25 | C26 | H2 | 116.6° | 138.1° |
| C25 | C24 | H4 | H5 | 129.1° | 131.6° |
| N23 | C24 | C25 | F27 | 113.3° | 90.6° |
| C24 | N23 | C22 | C26 | 103.6° | 99.2° |
| C24 | N23 | C26 | H1 | 116.6° | 89.7° |
| C24 | N23 | C26 | H2 | 116.6° | 139.1° |
| N23 | C24 | C25 | H3 | 113.9° | 138.1° |
| N23 | C24 | H4 | H5 | 129.1° | 131.8° |
| C24 | N23 | C22 | H9 | 83.1° | 70.0° |
| C24 | N23 | C22 | H10 | 158.0° | 50.0° |
| C04 | C03 | C02 | H12 | 180.0° | 180.0° |
| C04 | C03 | C02 | N01 | 0.1° | 0.3° |
| C04 | C03 | C02 | N02 | 179.6° | 180.0° |
| C03 | C04 | C05 | H13 | 179.4° | 180.0° |
| C03 | C04 | C07 | H14 | 89.9° | 90.0° |
| C03 | C04 | C07 | H15 | 30.1° | 150.0° |
| C03 | C04 | C07 | H16 | 150.1° | 30.1° |
| C08 | C06 | N01 | C02 | 179.9° | 179.8° |
| C08 | C06 | C05 | H13 | 0.4° | 0.0° |
| C06 | C08 | H17 | H18 | 119.3° | 120.0° |
| C06 | N01 | C02 | C03 | 0.5° | 0.6° |
| C06 | N01 | C02 | N02 | 179.9° | 179.7° |
| N01 | C06 | C05 | H13 | 180.0° | 179.7° |
| N01 | C06 | C08 | H17 | 53.4° | 59.7° |
| N01 | C06 | C08 | H18 | 66.2° | 60.4° |
| F27 | C25 | C26 | H3 | 132.9° | 131.2° |
| F27 | C25 | C26 | N23 | 113.2° | 90.6° |
| F27 | C25 | C26 | H1 | 130.2° | 155.1° |
| F27 | C25 | C26 | H2 | 3.5° | 23.8° |
| F27 | C25 | C24 | H4 | 3.3° | 23.8° |
| F27 | C25 | C24 | H5 | 130.1° | 155.1° |
| C25 | C26 | N23 | C22 | 116.7° | 137.5° |
| C25 | C26 | N23 | H1 | 116.6° | 114.4° |
| C25 | C26 | N23 | H2 | 116.6° | 114.4° |
| C25 | C26 | H1 | H2 | 129.1° | 131.7° |
| C26 | C25 | C24 | H4 | 116.6° | 138.1° |
| C26 | C25 | C24 | H5 | 116.6° | 90.6° |
| C22 | N23 | C26 | H1 | 0.1° | 23.1° |
| C22 | N23 | C26 | H2 | 126.6° | 108.1° |
| C22 | N23 | C24 | H4 | 125.0° | 108.1° |
| C22 | N23 | C24 | H5 | 1.8° | 23.3° |
| N23 | C22 | C21 | H6 | 89.4° | 60.0° |
| N23 | C22 | C21 | H7 | 29.3° | 60.0° |
| N23 | C22 | H9 | H10 | 118.3° | 120.0° |
| N23 | C26 | H1 | H2 | 129.1° | 131.6° |
| N23 | C26 | C25 | H3 | 114.0° | 138.3° |
| C26 | N23 | C24 | H4 | 116.6° | 139.0° |
| C26 | N23 | C24 | H5 | 116.6° | 89.6° |
| C26 | N23 | C22 | H9 | 173.3° | 29.2° |
| C26 | N23 | C22 | H10 | 54.3° | 149.2° |
| C03 | C02 | N01 | N02 | 179.6° | 179.8° |
| C03 | C02 | N02 | H19 | 179.7° | 0.1° |
| C03 | C02 | N02 | H20 | 59.6° | 180.0° |
| N01 | C02 | C03 | H12 | 179.9° | 179.8° |
| N01 | C02 | N02 | H19 | 0.0° | 179.7° |
| N01 | C02 | N02 | H20 | 120.0° | 0.2° |
| N02 | C02 | C03 | H12 | 0.5° | 0.0° |
| C02 | N02 | H19 | H20 | 120.0° | 179.9° |
| H1 | C26 | C25 | H3 | 2.7° | 23.9° |
| H2 | C26 | C25 | H3 | 129.4° | 107.4° |
| H3 | C25 | C24 | H4 | 129.4° | 107.6° |
| H3 | C25 | C24 | H5 | 2.7° | 23.7° |
| H6 | C21 | C22 | H9 | 150.0° | 60.0° |
| H6 | C21 | C22 | H10 | 31.1° | 180.0° |
| H7 | C21 | C22 | H9 | 91.2° | 180.0° |
| H7 | C21 | C22 | H10 | 149.8° | 60.0° |
| H14 | C07 | H15 | H16 | 120.0° | 120.1° |
