N20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.36Å | |
| O23 | C20 | sing | 1.36Å | 1.32Å | |
| O23 | H23 | sing | 0.97Å | 0.99Å | |
| C8 | N7 | doub | 1.30Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.06Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O6 | sing | 1.43Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.06Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.06Å | |
| C22 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.06Å | |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | O6 | sing | 1.35Å | 1.37Å | |
| C6 | C5 | doub | 1.40Å | 1.46Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C17 | sing | 1.40Å | 1.35Å | |
| N2 | H2 | sing | 0.97Å | 0.99Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 121.6° | 122.2° |
| N1 | C2 | N2 | 119.6° | 118.9° |
| C2 | N1 | C6 | 123.1° | 121.2° |
| N3 | C2 | N2 | 118.8° | 118.9° |
| C2 | N3 | C4 | 119.4° | 120.5° |
| C2 | N2 | C17 | 126.4° | 120.0° |
| C2 | N2 | H2 | 116.8° | 120.0° |
| C20 | O23 | H23 | 109.5° | 106.8° |
| O23 | C20 | C19 | 117.9° | 119.9° |
| O23 | C20 | C21 | 121.3° | 120.0° |
| N7 | C8 | N9 | 116.5° | 109.9° |
| N7 | C8 | H8 | 121.8° | 125.0° |
| C8 | N7 | C5 | 103.0° | 109.5° |
| N9 | C8 | H8 | 121.7° | 125.0° |
| C8 | N9 | C4 | 100.7° | 107.5° |
| C8 | N9 | H9 | 129.6° | 126.3° |
| C11 | C10 | O6 | 109.3° | 109.5° |
| C11 | C10 | H101 | 109.5° | 109.5° |
| C11 | C10 | H102 | 109.6° | 109.5° |
| C10 | C11 | C12 | 108.9° | 109.5° |
| C10 | C11 | C16 | 112.1° | 109.5° |
| C10 | C11 | H11 | 108.6° | 109.5° |
| O6 | C10 | H101 | 109.5° | 109.4° |
| O6 | C10 | H102 | 109.6° | 109.5° |
| C10 | O6 | C6 | 119.5° | 106.8° |
| H101 | C10 | H102 | 109.3° | 109.5° |
| C12 | C11 | C16 | 110.8° | 109.5° |
| C12 | C11 | H11 | 109.8° | 109.5° |
| C11 | C12 | C13 | 113.0° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.4° |
| C11 | C12 | H122 | 107.4° | 109.5° |
| C16 | C11 | H11 | 106.6° | 109.4° |
| C11 | C16 | C15 | 108.8° | 109.5° |
| C11 | C16 | H161 | 109.6° | 109.4° |
| C11 | C16 | H162 | 109.9° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C13 | C12 | H122 | 107.4° | 109.5° |
| C12 | C13 | C14 | 113.7° | 109.5° |
| C12 | C13 | H131 | 108.4° | 109.5° |
| C12 | C13 | H132 | 107.0° | 109.5° |
| H121 | C12 | H122 | 111.9° | 109.5° |
| C14 | C13 | H131 | 108.4° | 109.5° |
| C14 | C13 | H132 | 107.0° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.5° |
| C13 | C14 | H141 | 108.6° | 109.5° |
| C13 | C14 | H142 | 107.5° | 109.5° |
| H131 | C13 | H132 | 112.4° | 109.5° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| C15 | C14 | H142 | 107.5° | 109.5° |
| C14 | C15 | C16 | 110.9° | 109.5° |
| C14 | C15 | H151 | 109.1° | 109.5° |
| C14 | C15 | H152 | 108.7° | 109.5° |
| H141 | C14 | H142 | 111.8° | 109.5° |
| C16 | C15 | H151 | 109.1° | 109.5° |
| C16 | C15 | H152 | 108.7° | 109.4° |
| C15 | C16 | H161 | 109.7° | 109.5° |
| C15 | C16 | H162 | 109.9° | 109.5° |
| H151 | C15 | H152 | 110.4° | 109.5° |
| H161 | C16 | H162 | 109.0° | 109.5° |
| C20 | C19 | C18 | 120.6° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.9° | 120.1° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C19 | C18 | C17 | 119.6° | 120.0° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| C20 | C21 | C22 | 118.6° | 120.0° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C22 | C21 | H21 | 120.7° | 120.0° |
| C21 | C22 | C17 | 120.1° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C17 | C22 | H22 | 119.9° | 120.0° |
| C22 | C17 | N2 | 119.4° | 120.0° |
| C22 | C17 | C18 | 120.2° | 120.0° |
| N1 | C6 | O6 | 122.0° | 120.7° |
| N1 | C6 | C5 | 117.5° | 118.6° |
| O6 | C6 | C5 | 120.4° | 120.7° |
| C6 | C5 | N7 | 134.3° | 134.6° |
| C6 | C5 | C4 | 116.8° | 118.3° |
| N7 | C5 | C4 | 108.9° | 107.1° |
| C5 | C4 | N9 | 110.9° | 106.0° |
| C5 | C4 | N3 | 121.6° | 119.2° |
| C4 | N9 | H9 | 129.7° | 126.3° |
| N9 | C4 | N3 | 127.5° | 134.8° |
| C17 | N2 | H2 | 116.8° | 120.1° |
| N2 | C17 | C18 | 120.3° | 119.9° |
| C17 | C18 | H18 | 120.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | N2 | 179.3° | 179.8° |
| C2 | N1 | C6 | O6 | 179.2° | 179.8° |
| C2 | N1 | C6 | C5 | 0.7° | 0.5° |
| N1 | C2 | N3 | C4 | 0.4° | 0.2° |
| N1 | C2 | N2 | C17 | 21.2° | 5.4° |
| N1 | C2 | N2 | H2 | 158.8° | 174.7° |
| N3 | C2 | N1 | C6 | 0.4° | 0.5° |
| C2 | N3 | C4 | C5 | 0.9° | 0.1° |
| C2 | N3 | C4 | N9 | 179.6° | 179.9° |
| N3 | C2 | N2 | C17 | 159.5° | 174.4° |
| N3 | C2 | N2 | H2 | 20.5° | 5.5° |
| C2 | N2 | C17 | C22 | 159.0° | 34.5° |
| N2 | C2 | N1 | C6 | 179.7° | 179.7° |
| N2 | C2 | N3 | C4 | 178.9° | 180.0° |
| C2 | N2 | C17 | H2 | 180.0° | 179.9° |
| C2 | N2 | C17 | C18 | 21.9° | 145.5° |
| O23 | C20 | C19 | C21 | 178.6° | 179.7° |
| O23 | C20 | C19 | C18 | 178.9° | 180.0° |
| O23 | C20 | C19 | H19 | 1.1° | 0.0° |
| O23 | C20 | C21 | C22 | 179.7° | 179.7° |
| O23 | C20 | C21 | H21 | 0.2° | 0.2° |
| H23 | O23 | C20 | C19 | 106.6° | 90.0° |
| H23 | O23 | C20 | C21 | 74.8° | 90.2° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| C8 | N7 | C5 | C4 | 0.5° | 0.1° |
| N7 | C8 | N9 | C4 | 0.7° | 0.0° |
| N7 | C8 | N9 | H9 | 179.3° | 179.9° |
| N9 | C8 | N7 | C5 | 0.8° | 0.1° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | H9 | 180.0° | 180.0° |
| C8 | N9 | C4 | N3 | 179.2° | 179.9° |
| H8 | C8 | N7 | C5 | 179.2° | 179.9° |
| H8 | C8 | N9 | C4 | 179.3° | 180.0° |
| H8 | C8 | N9 | H9 | 0.7° | 0.0° |
| C11 | C10 | O6 | H101 | 120.0° | 120.0° |
| C11 | C10 | O6 | H102 | 120.1° | 120.1° |
| C11 | C10 | H101 | H102 | 120.1° | 120.0° |
| C10 | C11 | C12 | C16 | 123.7° | 120.0° |
| C10 | C11 | C12 | H11 | 118.8° | 120.0° |
| C10 | C11 | C16 | H11 | 118.6° | 120.0° |
| C10 | C11 | C12 | C13 | 176.9° | 180.0° |
| C10 | C11 | C12 | H121 | 62.6° | 60.0° |
| C10 | C11 | C12 | H122 | 58.7° | 59.9° |
| C10 | C11 | C16 | C15 | 177.1° | 180.0° |
| C10 | C11 | C16 | H161 | 63.0° | 60.0° |
| C10 | C11 | C16 | H162 | 56.7° | 60.0° |
| C11 | C10 | O6 | C6 | 153.1° | 180.0° |
| O6 | C10 | H101 | H102 | 120.1° | 120.0° |
| O6 | C10 | C11 | C12 | 169.4° | 180.0° |
| O6 | C10 | C11 | C16 | 46.4° | 60.0° |
| O6 | C10 | C11 | H11 | 71.1° | 60.0° |
| C10 | O6 | C6 | N1 | 10.9° | 0.3° |
| C10 | O6 | C6 | C5 | 167.6° | 179.9° |
| H101 | C10 | C11 | C12 | 70.7° | 60.1° |
| H101 | C10 | C11 | C16 | 166.4° | 179.9° |
| H101 | C10 | C11 | H11 | 48.9° | 60.0° |
| H101 | C10 | O6 | C6 | 87.0° | 60.0° |
| H102 | C10 | C11 | C12 | 49.3° | 59.9° |
| H102 | C10 | C11 | C16 | 73.7° | 60.0° |
| H102 | C10 | C11 | H11 | 168.8° | 180.0° |
| H102 | C10 | O6 | C6 | 33.0° | 60.0° |
| C12 | C11 | C16 | H11 | 119.5° | 120.0° |
| C11 | C12 | C13 | H121 | 120.5° | 119.9° |
| C11 | C12 | C13 | H122 | 118.2° | 120.0° |
| C11 | C12 | H121 | H122 | 118.4° | 120.0° |
| C11 | C12 | C13 | C14 | 45.3° | 60.0° |
| C11 | C12 | C13 | H131 | 75.3° | 60.0° |
| C11 | C12 | C13 | H132 | 163.2° | 180.0° |
| C12 | C11 | C16 | C15 | 61.1° | 60.0° |
| C12 | C11 | C16 | H161 | 58.9° | 60.0° |
| C12 | C11 | C16 | H162 | 178.6° | 180.0° |
| C16 | C11 | C12 | C13 | 53.2° | 60.0° |
| C16 | C11 | C12 | H121 | 173.7° | 180.0° |
| C16 | C11 | C12 | H122 | 65.0° | 60.1° |
| C11 | C16 | C15 | C14 | 61.5° | 60.0° |
| C11 | C16 | C15 | H161 | 119.9° | 119.9° |
| C11 | C16 | C15 | H162 | 120.3° | 120.0° |
| C11 | C16 | C15 | H151 | 178.2° | 60.1° |
| C11 | C16 | C15 | H152 | 57.8° | 180.0° |
| C11 | C16 | H161 | H162 | 120.3° | 120.0° |
| H11 | C11 | C12 | C13 | 64.3° | 60.0° |
| H11 | C11 | C12 | H121 | 56.2° | 60.0° |
| H11 | C11 | C12 | H122 | 177.4° | 180.0° |
| H11 | C11 | C16 | C15 | 58.4° | 60.0° |
| H11 | C11 | C16 | H161 | 178.3° | 180.0° |
| H11 | C11 | C16 | H162 | 61.9° | 60.0° |
| C13 | C12 | H121 | H122 | 118.4° | 120.1° |
| C12 | C13 | C14 | H131 | 120.6° | 120.0° |
| C12 | C13 | C14 | H132 | 117.9° | 120.0° |
| C12 | C13 | H131 | H132 | 118.1° | 120.0° |
| C12 | C13 | C14 | C15 | 45.6° | 60.0° |
| C12 | C13 | C14 | H141 | 166.1° | 180.0° |
| C12 | C13 | C14 | H142 | 72.8° | 60.0° |
| H121 | C12 | C13 | C14 | 165.8° | 180.0° |
| H121 | C12 | C13 | H131 | 45.2° | 59.9° |
| H121 | C12 | C13 | H132 | 76.3° | 60.1° |
| H122 | C12 | C13 | C14 | 73.0° | 60.0° |
| H122 | C12 | C13 | H131 | 166.4° | 180.0° |
| H122 | C12 | C13 | H132 | 44.9° | 60.0° |
| C14 | C13 | H131 | H132 | 118.1° | 120.0° |
| C13 | C14 | C15 | H141 | 120.5° | 120.0° |
| C13 | C14 | C15 | H142 | 118.3° | 120.0° |
| C13 | C14 | H141 | H142 | 118.5° | 120.0° |
| C13 | C14 | C15 | C16 | 54.1° | 60.0° |
| C13 | C14 | C15 | H151 | 174.3° | 60.0° |
| C13 | C14 | C15 | H152 | 65.2° | 180.0° |
| H131 | C13 | C14 | C15 | 75.0° | 60.0° |
| H131 | C13 | C14 | H141 | 45.5° | 60.0° |
| H131 | C13 | C14 | H142 | 166.6° | 180.0° |
| H132 | C13 | C14 | C15 | 163.5° | 180.0° |
| H132 | C13 | C14 | H141 | 76.0° | 60.0° |
| H132 | C13 | C14 | H142 | 45.1° | 60.0° |
| C15 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | C15 | C16 | H151 | 120.2° | 120.1° |
| C14 | C15 | C16 | H152 | 119.3° | 120.0° |
| C14 | C15 | H151 | H152 | 119.4° | 120.0° |
| C14 | C15 | C16 | H161 | 58.4° | 59.9° |
| C14 | C15 | C16 | H162 | 178.2° | 180.0° |
| H141 | C14 | C15 | C16 | 174.6° | 180.0° |
| H141 | C14 | C15 | H151 | 65.2° | 60.0° |
| H141 | C14 | C15 | H152 | 55.3° | 60.0° |
| H142 | C14 | C15 | C16 | 64.2° | 60.0° |
| H142 | C14 | C15 | H151 | 56.0° | 180.0° |
| H142 | C14 | C15 | H152 | 176.5° | 60.0° |
| C16 | C15 | H151 | H152 | 119.4° | 119.9° |
| C15 | C16 | H161 | H162 | 120.3° | 120.1° |
| H151 | C15 | C16 | H161 | 61.9° | 180.0° |
| H151 | C15 | C16 | H162 | 57.9° | 60.0° |
| H152 | C15 | C16 | H161 | 177.7° | 60.0° |
| H152 | C15 | C16 | H162 | 62.5° | 60.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.2° | 0.6° |
| C19 | C20 | C21 | H21 | 178.8° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H18 | 179.8° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C19 | C18 | C17 | C22 | 0.0° | 0.0° |
| C19 | C18 | C17 | N2 | 179.1° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| H19 | C19 | C20 | C21 | 179.6° | 179.7° |
| H19 | C19 | C18 | C17 | 179.8° | 180.0° |
| H19 | C19 | C18 | H18 | 0.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| C20 | C21 | C22 | C17 | 1.4° | 0.6° |
| C20 | C21 | C22 | H22 | 178.6° | 179.7° |
| C21 | C22 | C17 | H22 | 180.0° | 179.7° |
| C21 | C22 | C17 | N2 | 180.0° | 179.7° |
| C21 | C22 | C17 | C18 | 0.9° | 0.3° |
| H21 | C21 | C22 | C17 | 178.5° | 180.0° |
| H21 | C21 | C22 | H22 | 1.5° | 0.3° |
| C22 | C17 | N2 | C18 | 179.1° | 180.0° |
| C22 | C17 | N2 | H2 | 21.0° | 145.4° |
| C22 | C17 | C18 | H18 | 180.0° | 179.9° |
| H22 | C22 | C17 | N2 | 0.0° | 0.0° |
| H22 | C22 | C17 | C18 | 179.1° | 180.0° |
| N1 | C6 | O6 | C5 | 178.5° | 179.8° |
| N1 | C6 | C5 | N7 | 179.4° | 179.7° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| O6 | C6 | C5 | N7 | 0.8° | 0.1° |
| O6 | C6 | C5 | C4 | 178.7° | 179.9° |
| C6 | C5 | N7 | C4 | 179.5° | 179.9° |
| C6 | C5 | C4 | N9 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.1° |
| N7 | C5 | C4 | N9 | 0.2° | 0.1° |
| N7 | C5 | C4 | N3 | 179.7° | 180.0° |
| C5 | C4 | N9 | N3 | 179.5° | 179.8° |
| C5 | C4 | N9 | H9 | 179.7° | 180.0° |
| H9 | N9 | C4 | N3 | 0.8° | 0.2° |
| N2 | C17 | C18 | H18 | 0.9° | 0.1° |
| H2 | N2 | C17 | C18 | 158.1° | 34.6° |
