N22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| N4 | C3 | sing | 1.33Å | 1.36Å | Aromatic |
| C3 | N8 | sing | 1.38Å | 1.29Å | |
| C3 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.32Å | Aromatic |
| C1 | N7 | sing | 1.38Å | 1.38Å | |
| C1 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C6 | C9 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | trip | 1.17Å | 1.18Å | |
| C10 | C11 | sing | 1.47Å | 1.44Å | |
| C11 | C13 | sing | 1.51Å | 1.56Å | |
| C13 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | O2 | sing | 1.36Å | 1.38Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C4 | sing | 1.43Å | 1.46Å | |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | O10 | sing | 1.36Å | 1.33Å | |
| O10 | C2 | sing | 1.43Å | 1.44Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| N8 | HN8A | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N7 | HN7A | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C5 | 105.1° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.4° |
| C8 | C7 | H7 | 110.9° | 109.4° |
| C8 | C7 | H7A | 111.9° | 109.5° |
| C7 | C5 | N4 | 114.7° | 120.4° |
| C7 | C5 | C6 | 126.3° | 120.5° |
| C5 | C7 | H7 | 111.0° | 109.5° |
| C5 | C7 | H7A | 111.9° | 109.5° |
| N4 | C5 | C6 | 119.0° | 119.1° |
| C5 | N4 | C3 | 121.6° | 121.1° |
| C5 | C6 | C1 | 118.4° | 118.2° |
| C5 | C6 | C9 | 122.7° | 120.9° |
| N4 | C3 | N8 | 120.1° | 119.0° |
| N4 | C3 | N2 | 119.4° | 122.0° |
| N8 | C3 | N2 | 120.3° | 119.0° |
| C3 | N8 | HN8 | 109.5° | 120.0° |
| C3 | N8 | HN8A | 109.5° | 120.0° |
| C3 | N2 | C1 | 123.7° | 120.8° |
| N2 | C1 | N7 | 121.3° | 120.6° |
| N2 | C1 | C6 | 117.6° | 118.8° |
| N7 | C1 | C6 | 121.2° | 120.6° |
| C1 | N7 | HN7 | 109.5° | 120.0° |
| C1 | N7 | HN7A | 109.5° | 120.0° |
| C1 | C6 | C9 | 118.9° | 120.9° |
| C6 | C9 | C10 | 179.3° | 179.9° |
| C9 | C10 | C11 | 178.3° | 179.9° |
| C10 | C11 | C13 | 111.0° | 109.5° |
| C10 | C11 | H11 | 109.0° | 109.5° |
| C10 | C11 | H11A | 108.6° | 109.4° |
| C11 | C13 | C18 | 126.4° | 120.0° |
| C11 | C13 | C14 | 108.9° | 120.0° |
| C13 | C11 | H11 | 108.9° | 109.5° |
| C13 | C11 | H11A | 108.6° | 109.5° |
| C18 | C13 | C14 | 124.7° | 120.0° |
| C13 | C18 | C17 | 113.5° | 120.0° |
| C13 | C18 | H18 | 123.3° | 120.0° |
| C13 | C14 | C15 | 122.3° | 120.0° |
| C13 | C14 | O10 | 112.5° | 120.0° |
| C18 | C17 | O2 | 126.1° | 120.0° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C17 | C18 | H18 | 123.3° | 120.0° |
| O2 | C17 | C16 | 114.1° | 120.0° |
| C17 | O2 | C4 | 115.3° | 117.0° |
| C17 | C16 | C15 | 125.0° | 120.0° |
| C17 | C16 | H16 | 117.5° | 120.0° |
| O2 | C4 | H4 | 109.5° | 109.5° |
| O2 | C4 | H4A | 109.5° | 109.5° |
| O2 | C4 | H4B | 109.4° | 109.5° |
| C16 | C15 | C14 | 114.8° | 120.0° |
| C15 | C16 | H16 | 117.5° | 120.0° |
| C16 | C15 | H15 | 122.6° | 120.0° |
| C15 | C14 | O10 | 125.3° | 120.0° |
| C14 | C15 | H15 | 122.6° | 120.0° |
| C14 | O10 | C2 | 123.4° | 117.0° |
| O10 | C2 | H2 | 109.5° | 109.5° |
| O10 | C2 | H2A | 109.5° | 109.5° |
| O10 | C2 | H2B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H7 | C7 | H7A | 106.2° | 109.5° |
| HN8 | N8 | HN8A | 109.5° | 120.0° |
| HN7 | N7 | HN7A | 109.4° | 120.0° |
| H11 | C11 | H11A | 110.7° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H2 | C2 | H2B | 109.4° | 109.4° |
| H2A | C2 | H2B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C5 | H7 | 120.0° | 120.0° |
| C8 | C7 | C5 | H7A | 121.7° | 120.0° |
| C8 | C7 | C5 | N4 | 101.7° | 90.1° |
| C8 | C7 | C5 | C6 | 81.1° | 90.3° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 119.9° |
| C8 | C7 | H7 | H7A | 121.8° | 120.0° |
| C7 | C5 | N4 | C6 | 177.4° | 179.6° |
| C7 | C5 | N4 | C3 | 173.7° | 180.0° |
| C7 | C5 | C6 | C1 | 178.2° | 179.8° |
| C7 | C5 | C6 | C9 | 1.5° | 0.1° |
| C5 | C7 | C8 | H8 | 133.7° | 180.0° |
| C5 | C7 | C8 | H8A | 106.3° | 60.0° |
| C5 | C7 | C8 | H8B | 13.7° | 60.0° |
| C5 | C7 | H7 | H7A | 121.8° | 120.0° |
| C5 | N4 | C3 | N8 | 177.7° | 180.0° |
| C5 | N4 | C3 | N2 | 7.0° | 0.0° |
| N4 | C5 | C6 | C1 | 1.1° | 0.6° |
| N4 | C5 | C6 | C9 | 178.6° | 179.7° |
| N4 | C5 | C7 | H7 | 138.4° | 29.9° |
| N4 | C5 | C7 | H7A | 20.0° | 150.0° |
| C6 | C5 | N4 | C3 | 3.7° | 0.3° |
| C5 | C6 | C1 | N2 | 2.6° | 0.6° |
| C5 | C6 | C1 | N7 | 177.0° | 179.7° |
| C5 | C6 | C1 | C9 | 179.8° | 179.7° |
| C5 | C6 | C9 | C10 | 1.4° | 31.6° |
| C6 | C5 | C7 | H7 | 38.8° | 149.7° |
| C6 | C5 | C7 | H7A | 157.2° | 29.6° |
| N4 | C3 | N8 | N2 | 175.2° | 180.0° |
| N4 | C3 | N2 | C1 | 5.5° | 0.0° |
| N4 | C3 | N8 | HN8 | 166.2° | 0.0° |
| N4 | C3 | N8 | HN8A | 46.2° | 180.0° |
| N8 | C3 | N2 | C1 | 179.3° | 180.0° |
| C3 | N8 | HN8 | HN8A | 120.0° | 179.9° |
| C3 | N2 | C1 | N7 | 179.7° | 180.0° |
| C3 | N2 | C1 | C6 | 0.7° | 0.3° |
| N2 | C3 | N8 | HN8 | 18.6° | 180.0° |
| N2 | C3 | N8 | HN8A | 138.6° | 0.1° |
| N2 | C1 | N7 | C6 | 179.6° | 179.7° |
| N2 | C1 | C6 | C9 | 177.1° | 179.7° |
| N2 | C1 | N7 | HN7 | 139.6° | 0.1° |
| N2 | C1 | N7 | HN7A | 100.4° | 180.0° |
| N7 | C1 | C6 | C9 | 3.2° | 0.0° |
| C1 | N7 | HN7 | HN7A | 120.0° | 180.0° |
| C1 | C6 | C9 | C10 | 178.8° | 148.7° |
| C6 | C1 | N7 | HN7 | 40.1° | 179.7° |
| C6 | C1 | N7 | HN7A | 79.9° | 0.3° |
| C6 | C9 | C10 | C11 | 131.7° | 150.4° |
| C9 | C10 | C11 | C13 | 130.2° | 2.0° |
| C9 | C10 | C11 | H11 | 10.2° | 122.1° |
| C9 | C10 | C11 | H11A | 110.5° | 118.0° |
| C10 | C11 | C13 | H11 | 120.0° | 120.0° |
| C10 | C11 | C13 | H11A | 119.4° | 120.0° |
| C10 | C11 | C13 | C18 | 85.9° | 95.0° |
| C10 | C11 | C13 | C14 | 94.4° | 84.8° |
| C10 | C11 | H11 | H11A | 119.4° | 119.9° |
| C11 | C13 | C18 | C14 | 179.7° | 179.8° |
| C11 | C13 | C18 | C17 | 179.7° | 180.0° |
| C11 | C13 | C14 | C15 | 179.6° | 179.7° |
| C11 | C13 | C14 | O10 | 1.1° | 0.0° |
| C13 | C11 | H11 | H11A | 119.3° | 120.0° |
| C11 | C13 | C18 | H18 | 0.3° | 0.0° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C13 | C18 | C17 | O2 | 178.3° | 180.0° |
| C13 | C18 | C17 | C16 | 1.1° | 0.0° |
| C18 | C13 | C14 | C15 | 0.6° | 0.5° |
| C18 | C13 | C14 | O10 | 178.7° | 179.8° |
| C18 | C13 | C11 | H11 | 34.1° | 145.0° |
| C18 | C13 | C11 | H11A | 154.8° | 25.0° |
| C14 | C13 | C18 | C17 | 0.6° | 0.2° |
| C13 | C14 | C15 | C16 | 1.1° | 0.5° |
| C13 | C14 | C15 | O10 | 179.2° | 179.7° |
| C13 | C14 | O10 | C2 | 177.8° | 180.0° |
| C14 | C13 | C11 | H11 | 145.6° | 35.3° |
| C14 | C13 | C11 | H11A | 25.0° | 155.3° |
| C14 | C13 | C18 | H18 | 179.4° | 179.8° |
| C13 | C14 | C15 | H15 | 178.9° | 179.8° |
| C18 | C17 | O2 | C16 | 177.3° | 180.0° |
| C18 | C17 | O2 | C4 | 7.5° | 180.0° |
| C18 | C17 | C16 | C15 | 1.8° | 0.0° |
| C18 | C17 | C16 | H16 | 178.2° | 180.0° |
| O2 | C17 | C16 | C15 | 179.3° | 180.0° |
| O2 | C17 | C18 | H18 | 1.7° | 0.0° |
| C17 | O2 | C4 | H4 | 51.7° | 180.0° |
| C17 | O2 | C4 | H4A | 171.7° | 60.0° |
| C17 | O2 | C4 | H4B | 68.3° | 60.0° |
| O2 | C17 | C16 | H16 | 0.7° | 0.1° |
| C16 | C17 | O2 | C4 | 169.8° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 1.7° | 0.3° |
| C16 | C17 | C18 | H18 | 178.9° | 180.0° |
| C17 | C16 | C15 | H15 | 178.3° | 180.0° |
| O2 | C4 | H4 | H4A | 120.0° | 120.1° |
| O2 | C4 | H4 | H4B | 120.0° | 120.0° |
| O2 | C4 | H4A | H4B | 120.0° | 120.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.7° |
| C16 | C15 | C14 | O10 | 178.1° | 179.7° |
| C15 | C14 | O10 | C2 | 2.9° | 0.3° |
| C14 | C15 | C16 | H16 | 178.3° | 179.8° |
| O10 | C14 | C15 | H15 | 1.9° | 0.0° |
| C14 | O10 | C2 | H2 | 44.4° | 60.0° |
| C14 | O10 | C2 | H2A | 75.6° | 60.0° |
| C14 | O10 | C2 | H2B | 164.4° | 180.0° |
| O10 | C2 | H2 | H2A | 120.0° | 120.0° |
| O10 | C2 | H2 | H2B | 120.0° | 120.1° |
| O10 | C2 | H2A | H2B | 120.0° | 120.1° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | C7 | H7 | 106.3° | 60.0° |
| H8 | C8 | C7 | H7A | 12.0° | 60.0° |
| H8A | C8 | C7 | H7 | 13.7° | 60.0° |
| H8A | C8 | C7 | H7A | 132.0° | 180.0° |
| H8B | C8 | C7 | H7 | 133.7° | 180.0° |
| H8B | C8 | C7 | H7A | 108.0° | 60.0° |
| H4 | C4 | H4A | H4B | 120.0° | 119.9° |
| H16 | C16 | C15 | H15 | 1.7° | 0.1° |
| H2 | C2 | H2A | H2B | 120.0° | 119.9° |
