F9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | N2 | doub | 1.31Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.41Å | Aromatic |
| C4 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.39Å | 1.34Å | |
| N1 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
| N3 | C5 | sing | 1.39Å | 1.40Å | |
| C5 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| N4 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N8 | sing | 1.39Å | 1.44Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | F2 | sing | 1.35Å | 1.35Å | |
| C8 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.40Å | |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C11 | sing | 1.51Å | 1.48Å | |
| C11 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C12 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.33Å | |
| C14 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| N8 | C15 | sing | 1.47Å | 1.45Å | |
| N8 | C18 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | HA | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 131.7° | 125.8° |
| C1 | C2 | N2 | 121.7° | 125.8° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.4° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| C3 | C2 | N2 | 106.6° | 108.3° |
| C2 | C3 | C4 | 104.6° | 107.8° |
| C2 | C3 | H3 | 127.7° | 126.0° |
| C2 | N2 | N1 | 112.4° | 108.4° |
| C3 | C4 | N1 | 111.6° | 107.6° |
| C3 | C4 | N3 | 123.5° | 126.2° |
| C4 | C3 | H3 | 127.7° | 126.1° |
| N1 | C4 | N3 | 124.9° | 126.2° |
| C4 | N1 | N2 | 104.8° | 107.9° |
| C4 | N1 | H1 | 127.6° | 126.0° |
| C4 | N3 | C5 | 128.2° | 120.0° |
| C4 | N3 | HA | 115.9° | 120.0° |
| N2 | N1 | H1 | 127.6° | 126.1° |
| N3 | C5 | N4 | 113.3° | 119.1° |
| N3 | C5 | N5 | 120.5° | 119.1° |
| C5 | N3 | HA | 115.9° | 120.0° |
| N4 | C5 | N5 | 126.2° | 121.8° |
| C5 | N4 | C6 | 119.6° | 120.7° |
| C5 | N5 | C8 | 113.6° | 120.8° |
| N4 | C6 | C7 | 117.0° | 119.1° |
| N4 | C6 | N8 | 120.9° | 120.5° |
| C7 | C6 | N8 | 122.1° | 120.5° |
| C6 | C7 | C8 | 120.3° | 118.4° |
| C6 | C7 | F2 | 121.4° | 120.8° |
| C6 | N8 | C15 | 113.7° | 111.0° |
| C6 | N8 | C18 | 115.3° | 111.0° |
| C8 | C7 | F2 | 118.3° | 120.8° |
| C7 | C8 | N5 | 123.3° | 119.2° |
| C7 | C8 | O1 | 113.7° | 120.4° |
| N5 | C8 | O1 | 123.0° | 120.4° |
| C8 | O1 | C9 | 113.7° | 117.0° |
| O1 | C9 | C10 | 107.4° | 109.5° |
| O1 | C9 | C11 | 105.5° | 109.5° |
| O1 | C9 | H9 | 112.5° | 109.5° |
| C10 | C9 | C11 | 108.1° | 109.4° |
| C10 | C9 | H9 | 111.3° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C9 | C11 | N6 | 114.6° | 119.1° |
| C9 | C11 | N7 | 116.4° | 119.1° |
| C11 | C9 | H9 | 111.7° | 109.5° |
| N6 | C11 | N7 | 129.1° | 121.8° |
| C11 | N6 | C12 | 114.7° | 120.8° |
| C11 | N7 | C14 | 114.3° | 120.9° |
| N6 | C12 | C13 | 121.0° | 119.1° |
| N6 | C12 | H12 | 119.5° | 120.5° |
| C12 | C13 | C14 | 119.9° | 118.3° |
| C12 | C13 | F1 | 118.9° | 120.8° |
| C13 | C12 | H12 | 119.5° | 120.5° |
| C14 | C13 | F1 | 121.2° | 120.9° |
| C13 | C14 | N7 | 121.1° | 119.1° |
| C13 | C14 | H14 | 119.5° | 120.4° |
| N7 | C14 | H14 | 119.4° | 120.5° |
| C15 | N8 | C18 | 115.7° | 110.8° |
| N8 | C15 | C16 | 109.8° | 109.2° |
| N8 | C15 | H151 | 109.4° | 109.6° |
| N8 | C15 | H152 | 109.4° | 109.5° |
| N8 | C18 | C17 | 113.3° | 109.3° |
| N8 | C18 | H181 | 108.5° | 109.5° |
| N8 | C18 | H182 | 108.5° | 109.5° |
| C15 | C16 | O2 | 109.8° | 109.3° |
| C16 | C15 | H151 | 109.4° | 109.5° |
| C16 | C15 | H152 | 109.4° | 109.5° |
| C15 | C16 | H161 | 109.4° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| C16 | O2 | C17 | 107.1° | 113.7° |
| O2 | C16 | H161 | 109.4° | 109.5° |
| O2 | C16 | H162 | 109.4° | 109.5° |
| O2 | C17 | C18 | 108.4° | 109.3° |
| O2 | C17 | H171 | 109.7° | 109.5° |
| O2 | C17 | H172 | 109.7° | 109.5° |
| C17 | C18 | H181 | 108.5° | 109.5° |
| C17 | C18 | H182 | 108.5° | 109.5° |
| C18 | C17 | H171 | 109.8° | 109.5° |
| C18 | C17 | H172 | 109.8° | 109.6° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.6° |
| H171 | C17 | H172 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N2 | 179.8° | 179.7° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C1 | C2 | N2 | N1 | 179.7° | 179.9° |
| C2 | C1 | H11C | H12C | 120.0° | 119.9° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 0.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 0.0° | 0.0° |
| C2 | C3 | C4 | N3 | 179.9° | 180.0° |
| C3 | C2 | N2 | N1 | 0.1° | 0.3° |
| C3 | C2 | C1 | H11C | 179.8° | 90.0° |
| C3 | C2 | C1 | H12C | 59.7° | 150.1° |
| C3 | C2 | C1 | H13C | 60.2° | 30.1° |
| N2 | C2 | C3 | C4 | 0.0° | 0.2° |
| C2 | N2 | N1 | C4 | 0.1° | 0.4° |
| N2 | C2 | C1 | H11C | 0.0° | 90.3° |
| N2 | C2 | C1 | H12C | 120.0° | 29.6° |
| N2 | C2 | C1 | H13C | 120.0° | 149.7° |
| N2 | C2 | C3 | H3 | 180.0° | 179.7° |
| C2 | N2 | N1 | H1 | 179.9° | 179.8° |
| C3 | C4 | N1 | N3 | 179.9° | 180.0° |
| C3 | C4 | N1 | N2 | 0.0° | 0.2° |
| C3 | C4 | N3 | C5 | 4.2° | 5.7° |
| C3 | C4 | N1 | H1 | 179.9° | 179.9° |
| C3 | C4 | N3 | HA | 175.8° | 174.3° |
| C4 | N1 | N2 | H1 | 180.0° | 179.9° |
| N1 | C4 | N3 | C5 | 175.9° | 174.3° |
| N1 | C4 | C3 | H3 | 180.0° | 180.0° |
| N1 | C4 | N3 | HA | 4.1° | 5.8° |
| N3 | C4 | N1 | N2 | 179.8° | 179.8° |
| C4 | N3 | C5 | HA | 180.0° | 180.0° |
| C4 | N3 | C5 | N4 | 174.6° | 5.4° |
| C4 | N3 | C5 | N5 | 5.8° | 174.8° |
| N3 | C4 | C3 | H3 | 0.2° | 0.1° |
| N3 | C4 | N1 | H1 | 0.2° | 0.0° |
| N3 | C5 | N4 | N5 | 179.6° | 179.8° |
| N3 | C5 | N4 | C6 | 179.9° | 180.0° |
| N3 | C5 | N5 | C8 | 179.7° | 179.7° |
| C5 | N4 | C6 | C7 | 0.4° | 0.1° |
| C5 | N4 | C6 | N8 | 179.7° | 180.0° |
| N4 | C5 | N5 | C8 | 0.2° | 0.5° |
| N4 | C5 | N3 | HA | 5.4° | 174.5° |
| N5 | C5 | N4 | C6 | 0.4° | 0.2° |
| C5 | N5 | C8 | C7 | 0.1° | 0.5° |
| C5 | N5 | C8 | O1 | 180.0° | 179.7° |
| N5 | C5 | N3 | HA | 174.2° | 5.3° |
| N4 | C6 | C7 | N8 | 179.2° | 180.0° |
| N4 | C6 | C7 | C8 | 0.4° | 0.0° |
| N4 | C6 | C7 | F2 | 179.9° | 179.9° |
| N4 | C6 | N8 | C15 | 36.3° | 0.0° |
| N4 | C6 | N8 | C18 | 173.2° | 123.6° |
| C6 | C7 | C8 | F2 | 179.7° | 179.9° |
| C6 | C7 | C8 | N5 | 0.2° | 0.3° |
| C6 | C7 | C8 | O1 | 179.8° | 180.0° |
| C7 | C6 | N8 | C15 | 144.5° | 180.0° |
| C7 | C6 | N8 | C18 | 7.6° | 56.3° |
| N8 | C6 | C7 | C8 | 179.6° | 180.0° |
| N8 | C6 | C7 | F2 | 0.7° | 0.0° |
| C6 | N8 | C15 | C18 | 136.8° | 123.8° |
| C6 | N8 | C15 | C16 | 179.2° | 177.6° |
| C6 | N8 | C18 | C17 | 177.0° | 177.6° |
| C6 | N8 | C15 | H151 | 59.1° | 62.5° |
| C6 | N8 | C15 | H152 | 60.7° | 57.7° |
| C6 | N8 | C18 | H181 | 62.4° | 57.7° |
| C6 | N8 | C18 | H182 | 56.4° | 62.4° |
| C7 | C8 | N5 | O1 | 179.9° | 179.7° |
| C7 | C8 | O1 | C9 | 163.9° | 175.0° |
| F2 | C7 | C8 | N5 | 179.9° | 179.8° |
| F2 | C7 | C8 | O1 | 0.1° | 0.1° |
| N5 | C8 | O1 | C9 | 16.2° | 5.3° |
| C8 | O1 | C9 | C10 | 162.9° | 85.1° |
| C8 | O1 | C9 | C11 | 82.0° | 154.9° |
| C8 | O1 | C9 | H9 | 40.0° | 34.9° |
| O1 | C9 | C10 | C11 | 113.4° | 120.0° |
| O1 | C9 | C10 | H9 | 123.6° | 120.1° |
| O1 | C9 | C11 | H9 | 122.6° | 120.1° |
| O1 | C9 | C11 | N6 | 39.2° | 135.1° |
| O1 | C9 | C11 | N7 | 140.0° | 45.3° |
| O1 | C9 | C10 | H101 | 180.0° | 180.0° |
| O1 | C9 | C10 | H102 | 60.0° | 60.1° |
| O1 | C9 | C10 | H103 | 60.0° | 60.0° |
| C10 | C9 | C11 | H9 | 122.8° | 120.0° |
| C10 | C9 | C11 | N6 | 75.4° | 105.0° |
| C10 | C9 | C11 | N7 | 105.4° | 74.7° |
| C9 | C10 | H101 | H102 | 120.0° | 119.9° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| C9 | C11 | N6 | N7 | 179.0° | 179.7° |
| C9 | C11 | N6 | C12 | 178.8° | 180.0° |
| C9 | C11 | N7 | C14 | 179.2° | 179.7° |
| C11 | C9 | C10 | H101 | 66.6° | 60.1° |
| C11 | C9 | C10 | H102 | 173.4° | 180.0° |
| C11 | C9 | C10 | H103 | 53.4° | 60.0° |
| C11 | N6 | C12 | C13 | 0.5° | 0.0° |
| N6 | C11 | N7 | C14 | 0.2° | 0.6° |
| N6 | C11 | C9 | H9 | 161.8° | 15.0° |
| C11 | N6 | C12 | H12 | 179.5° | 179.9° |
| N7 | C11 | N6 | C12 | 0.2° | 0.4° |
| C11 | N7 | C14 | C13 | 0.5° | 0.5° |
| N7 | C11 | C9 | H9 | 17.4° | 165.3° |
| C11 | N7 | C14 | H14 | 179.5° | 179.7° |
| N6 | C12 | C13 | H12 | 180.0° | 179.9° |
| N6 | C12 | C13 | C14 | 0.2° | 0.1° |
| N6 | C12 | C13 | F1 | 179.4° | 180.0° |
| C12 | C13 | C14 | F1 | 179.6° | 179.9° |
| C12 | C13 | C14 | N7 | 0.3° | 0.2° |
| C12 | C13 | C14 | H14 | 179.7° | 180.0° |
| C13 | C14 | N7 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| F1 | C13 | C14 | N7 | 179.9° | 179.7° |
| F1 | C13 | C12 | H12 | 0.6° | 0.1° |
| F1 | C13 | C14 | H14 | 0.1° | 0.1° |
| N8 | C15 | C16 | H151 | 120.1° | 120.0° |
| N8 | C15 | C16 | H152 | 120.0° | 119.9° |
| N8 | C15 | C16 | O2 | 57.2° | 56.9° |
| C15 | N8 | C18 | C17 | 40.9° | 58.6° |
| N8 | C15 | H151 | H152 | 119.8° | 120.2° |
| C15 | N8 | C18 | H181 | 161.5° | 178.6° |
| C15 | N8 | C18 | H182 | 79.6° | 61.3° |
| N8 | C15 | C16 | H161 | 177.2° | 176.8° |
| N8 | C15 | C16 | H162 | 62.8° | 63.1° |
| C18 | N8 | C15 | C16 | 42.4° | 58.6° |
| N8 | C18 | C17 | O2 | 51.6° | 56.8° |
| N8 | C18 | C17 | H181 | 120.6° | 120.0° |
| N8 | C18 | C17 | H182 | 120.6° | 119.9° |
| C18 | N8 | C15 | H151 | 77.7° | 61.3° |
| C18 | N8 | C15 | H152 | 162.5° | 178.5° |
| N8 | C18 | H181 | H182 | 118.3° | 120.1° |
| N8 | C18 | C17 | H171 | 171.5° | 176.7° |
| N8 | C18 | C17 | H172 | 68.2° | 63.1° |
| C15 | C16 | O2 | H161 | 120.1° | 119.9° |
| C15 | C16 | O2 | H162 | 120.0° | 120.0° |
| C15 | C16 | O2 | C17 | 70.9° | 58.7° |
| C16 | C15 | H151 | H152 | 119.9° | 120.0° |
| C15 | C16 | H161 | H162 | 119.9° | 120.1° |
| C16 | O2 | C17 | C18 | 66.4° | 58.7° |
| O2 | C16 | C15 | H151 | 62.9° | 63.1° |
| O2 | C16 | C15 | H152 | 177.2° | 176.8° |
| O2 | C16 | H161 | H162 | 119.8° | 120.1° |
| C16 | O2 | C17 | H171 | 173.8° | 178.6° |
| C16 | O2 | C17 | H172 | 53.4° | 61.3° |
| O2 | C17 | C18 | H171 | 119.8° | 119.9° |
| O2 | C17 | C18 | H172 | 119.8° | 119.9° |
| O2 | C17 | C18 | H181 | 172.2° | 176.8° |
| O2 | C17 | C18 | H182 | 68.9° | 63.1° |
| C17 | O2 | C16 | H161 | 169.1° | 178.6° |
| C17 | O2 | C16 | H162 | 49.2° | 61.3° |
| O2 | C17 | H171 | H172 | 120.5° | 120.0° |
| C17 | C18 | H181 | H182 | 118.2° | 120.1° |
| C18 | C17 | H171 | H172 | 120.5° | 120.2° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H9 | C9 | C10 | H101 | 56.4° | 59.9° |
| H9 | C9 | C10 | H102 | 63.6° | 60.0° |
| H9 | C9 | C10 | H103 | 176.4° | 179.9° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H151 | C15 | C16 | H161 | 57.2° | 56.8° |
| H151 | C15 | C16 | H162 | 177.1° | 176.9° |
| H152 | C15 | C16 | H161 | 62.7° | 63.3° |
| H152 | C15 | C16 | H162 | 57.2° | 56.8° |
| H181 | C18 | C17 | H171 | 68.0° | 63.3° |
| H181 | C18 | C17 | H172 | 52.4° | 56.9° |
| H182 | C18 | C17 | H171 | 50.9° | 56.8° |
| H182 | C18 | C17 | H172 | 171.2° | 177.0° |
