20A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C8 | doub | 1.22Å | 1.24Å | |
| C3 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | N5 | sing | 1.35Å | 1.35Å | |
| N5 | C18 | sing | 1.46Å | 1.45Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C22 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C24 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C4 | doub | 1.38Å | 1.34Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | C27 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C1 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| N11 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | N11 | sing | 1.33Å | 1.34Å | Aromatic |
| N10 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| N12 | N10 | sing | 1.40Å | 1.37Å | Aromatic |
| N10 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| N12 | C6 | doub | 1.30Å | 1.37Å | Aromatic |
| C6 | C2 | sing | 1.41Å | 1.45Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | C1 | sing | 1.38Å | 1.34Å | |
| C9 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| C16 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C15 | sing | 1.53Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O23 | C19 | sing | 1.43Å | 1.41Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | O23 | sing | 1.43Å | 1.42Å | |
| C20 | C16 | sing | 1.53Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C8 | C3 | 116.4° | 120.0° |
| O14 | C8 | N5 | 120.9° | 120.0° |
| C3 | C8 | N5 | 122.2° | 120.0° |
| C8 | C3 | C1 | 123.0° | 120.4° |
| C8 | C3 | C7 | 115.2° | 120.5° |
| C8 | N5 | C18 | 123.1° | 120.0° |
| C8 | N5 | HN5 | 118.5° | 120.0° |
| C18 | N5 | HN5 | 118.4° | 120.1° |
| N5 | C18 | C22 | 106.9° | 109.5° |
| N5 | C18 | H18 | 110.4° | 109.5° |
| N5 | C18 | H18A | 110.9° | 109.5° |
| C22 | C18 | H18 | 110.3° | 109.5° |
| C22 | C18 | H18A | 110.9° | 109.4° |
| C18 | C22 | C24 | 123.3° | 120.0° |
| C18 | C22 | C25 | 119.7° | 120.0° |
| H18 | C18 | H18A | 107.5° | 109.5° |
| C24 | C22 | C25 | 116.9° | 120.0° |
| C22 | C24 | C26 | 121.5° | 120.0° |
| C22 | C24 | H24 | 119.2° | 120.0° |
| C22 | C25 | C27 | 120.9° | 120.0° |
| C22 | C25 | H25 | 119.6° | 120.0° |
| C26 | C24 | H24 | 119.2° | 120.0° |
| C24 | C26 | C4 | 118.3° | 120.0° |
| C24 | C26 | H26 | 120.9° | 120.0° |
| C4 | C26 | H26 | 120.9° | 120.0° |
| C26 | C4 | C27 | 124.0° | 120.0° |
| C26 | C4 | H4 | 118.0° | 120.0° |
| C27 | C4 | H4 | 118.0° | 120.0° |
| C4 | C27 | C25 | 118.3° | 120.0° |
| C4 | C27 | H27 | 120.8° | 120.0° |
| C25 | C27 | H27 | 120.8° | 119.9° |
| C27 | C25 | H25 | 119.5° | 120.0° |
| C1 | C3 | C7 | 121.7° | 119.1° |
| C3 | C1 | C2 | 114.2° | 117.8° |
| C3 | C1 | N4 | 120.3° | 121.1° |
| C3 | C7 | N11 | 122.6° | 121.4° |
| C3 | C7 | H7 | 118.7° | 119.3° |
| N11 | C7 | H7 | 118.7° | 119.3° |
| C7 | N11 | C13 | 119.0° | 122.1° |
| N11 | C13 | N10 | 130.6° | 133.1° |
| N11 | C13 | C2 | 119.6° | 120.4° |
| N10 | C13 | C2 | 109.7° | 106.4° |
| C13 | N10 | N12 | 109.4° | 108.3° |
| C13 | N10 | C17 | 126.2° | 125.8° |
| C13 | C2 | C6 | 102.2° | 107.1° |
| C13 | C2 | C1 | 122.9° | 119.2° |
| N12 | N10 | C17 | 124.5° | 125.8° |
| N10 | N12 | C6 | 107.3° | 109.7° |
| N10 | C17 | C21 | 110.8° | 109.5° |
| N10 | C17 | H17 | 109.0° | 109.5° |
| N10 | C17 | H17A | 108.8° | 109.4° |
| C21 | C17 | H17 | 109.0° | 109.5° |
| C21 | C17 | H17A | 108.7° | 109.5° |
| C17 | C21 | H21 | 109.5° | 109.4° |
| C17 | C21 | H21A | 109.5° | 109.5° |
| C17 | C21 | H21B | 109.4° | 109.5° |
| H17 | C17 | H17A | 110.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| N12 | C6 | C2 | 111.4° | 108.4° |
| N12 | C6 | H6 | 124.3° | 125.8° |
| C6 | C2 | C1 | 134.9° | 133.7° |
| C2 | C6 | H6 | 124.3° | 125.8° |
| C2 | C1 | N4 | 125.4° | 121.1° |
| C1 | N4 | C9 | 129.5° | 111.0° |
| C1 | N4 | HN4 | 103.2° | 111.0° |
| C9 | N4 | HN4 | 103.3° | 111.0° |
| N4 | C9 | C16 | 113.1° | 109.6° |
| N4 | C9 | C15 | 110.8° | 109.6° |
| N4 | C9 | H9 | 106.7° | 109.6° |
| C16 | C9 | C15 | 111.5° | 109.0° |
| C16 | C9 | H9 | 105.9° | 109.5° |
| C9 | C16 | C20 | 113.9° | 109.2° |
| C9 | C16 | H16 | 108.0° | 109.6° |
| C9 | C16 | H16A | 107.0° | 109.5° |
| C15 | C9 | H9 | 108.5° | 109.5° |
| C9 | C15 | C19 | 109.2° | 109.1° |
| C9 | C15 | H15 | 109.5° | 109.5° |
| C9 | C15 | H15A | 109.6° | 109.5° |
| C19 | C15 | H15 | 109.5° | 109.5° |
| C19 | C15 | H15A | 109.6° | 109.6° |
| C15 | C19 | O23 | 107.5° | 109.5° |
| C15 | C19 | H19 | 110.2° | 109.4° |
| C15 | C19 | H19A | 110.6° | 109.5° |
| H15 | C15 | H15A | 109.3° | 109.6° |
| O23 | C19 | H19 | 110.1° | 109.5° |
| O23 | C19 | H19A | 110.6° | 109.5° |
| C19 | O23 | C20 | 116.9° | 114.1° |
| H19 | C19 | H19A | 107.9° | 109.5° |
| O23 | C20 | C16 | 107.2° | 109.4° |
| O23 | C20 | H20 | 110.3° | 109.5° |
| O23 | C20 | H20A | 110.7° | 109.5° |
| C16 | C20 | H20 | 110.3° | 109.5° |
| C16 | C20 | H20A | 110.8° | 109.5° |
| C20 | C16 | H16 | 108.0° | 109.5° |
| C20 | C16 | H16A | 107.0° | 109.5° |
| H20 | C20 | H20A | 107.7° | 109.5° |
| H16 | C16 | H16A | 113.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C8 | C3 | N5 | 171.8° | 179.7° |
| O14 | C8 | N5 | C18 | 1.1° | 0.0° |
| O14 | C8 | N5 | HN5 | 178.9° | 180.0° |
| O14 | C8 | C3 | C1 | 16.4° | 5.3° |
| O14 | C8 | C3 | C7 | 160.6° | 174.4° |
| C3 | C8 | N5 | C18 | 172.6° | 179.7° |
| C3 | C8 | N5 | HN5 | 7.4° | 0.2° |
| C8 | C3 | C1 | C7 | 176.9° | 179.7° |
| C8 | C3 | C7 | N11 | 176.2° | 180.0° |
| C8 | C3 | C7 | H7 | 3.8° | 0.0° |
| C8 | C3 | C1 | C2 | 175.0° | 179.8° |
| C8 | C3 | C1 | N4 | 2.9° | 0.2° |
| C8 | N5 | C18 | HN5 | 180.0° | 179.9° |
| C8 | N5 | C18 | C22 | 84.1° | 180.0° |
| C8 | N5 | C18 | H18 | 155.9° | 60.0° |
| C8 | N5 | C18 | H18A | 36.9° | 60.0° |
| N5 | C8 | C3 | C1 | 171.7° | 174.9° |
| N5 | C8 | C3 | C7 | 11.2° | 5.3° |
| N5 | C18 | C22 | H18 | 120.0° | 120.0° |
| N5 | C18 | C22 | H18A | 121.0° | 120.0° |
| N5 | C18 | H18 | H18A | 121.1° | 120.0° |
| N5 | C18 | C22 | C24 | 104.6° | 89.7° |
| N5 | C18 | C22 | C25 | 71.9° | 90.0° |
| HN5 | N5 | C18 | C22 | 95.9° | 0.1° |
| HN5 | N5 | C18 | H18 | 24.1° | 120.0° |
| HN5 | N5 | C18 | H18A | 143.1° | 119.9° |
| C22 | C18 | H18 | H18A | 121.0° | 120.0° |
| C18 | C22 | C24 | C25 | 176.6° | 179.7° |
| C18 | C22 | C24 | C26 | 178.2° | 180.0° |
| C18 | C22 | C24 | H24 | 1.7° | 0.0° |
| C18 | C22 | C25 | C27 | 179.0° | 179.8° |
| C18 | C22 | C25 | H25 | 1.0° | 0.0° |
| H18 | C18 | C22 | C24 | 135.4° | 150.3° |
| H18 | C18 | C22 | C25 | 48.2° | 30.0° |
| H18A | C18 | C22 | C24 | 16.4° | 30.3° |
| H18A | C18 | C22 | C25 | 167.1° | 150.0° |
| C22 | C24 | C26 | H24 | 180.0° | 180.0° |
| C22 | C24 | C26 | C4 | 0.6° | 0.0° |
| C22 | C24 | C26 | H26 | 179.4° | 179.9° |
| C24 | C22 | C25 | C27 | 2.3° | 0.5° |
| C24 | C22 | C25 | H25 | 177.7° | 179.7° |
| C25 | C22 | C24 | C26 | 1.7° | 0.3° |
| C25 | C22 | C24 | H24 | 178.3° | 179.7° |
| C22 | C25 | C27 | C4 | 1.8° | 0.5° |
| C22 | C25 | C27 | H25 | 180.0° | 179.8° |
| C22 | C25 | C27 | H27 | 178.2° | 179.8° |
| C24 | C26 | C4 | H26 | 180.0° | 180.0° |
| C24 | C26 | C4 | C27 | 0.0° | 0.0° |
| C24 | C26 | C4 | H4 | 180.0° | 179.9° |
| H24 | C24 | C26 | C4 | 179.4° | 180.0° |
| H24 | C24 | C26 | H26 | 0.6° | 0.1° |
| C26 | C4 | C27 | H4 | 180.0° | 179.9° |
| C26 | C4 | C27 | C25 | 0.6° | 0.2° |
| C26 | C4 | C27 | H27 | 179.4° | 180.0° |
| H26 | C26 | C4 | C27 | 180.0° | 180.0° |
| H26 | C26 | C4 | H4 | 0.0° | 0.0° |
| C4 | C27 | C25 | H27 | 180.0° | 179.8° |
| C4 | C27 | C25 | H25 | 178.2° | 179.7° |
| H4 | C4 | C27 | C25 | 179.4° | 179.9° |
| H4 | C4 | C27 | H27 | 0.6° | 0.1° |
| H27 | C27 | C25 | H25 | 1.8° | 0.0° |
| C1 | C3 | C7 | N11 | 0.9° | 0.3° |
| C1 | C3 | C7 | H7 | 179.1° | 179.8° |
| C3 | C1 | C2 | C13 | 2.4° | 0.5° |
| C3 | C1 | C2 | C6 | 179.6° | 179.8° |
| C3 | C1 | C2 | N4 | 177.8° | 179.6° |
| C3 | C1 | N4 | C9 | 166.1° | 87.5° |
| C3 | C1 | N4 | HN4 | 73.9° | 148.6° |
| C3 | C7 | N11 | H7 | 180.0° | 180.0° |
| C3 | C7 | N11 | C13 | 0.2° | 0.1° |
| C7 | C3 | C1 | C2 | 1.9° | 0.5° |
| C7 | C3 | C1 | N4 | 179.8° | 180.0° |
| C7 | N11 | C13 | N10 | 179.5° | 179.9° |
| C7 | N11 | C13 | C2 | 0.6° | 0.1° |
| H7 | C7 | N11 | C13 | 179.8° | 180.0° |
| N11 | C13 | N10 | C2 | 179.0° | 179.9° |
| N11 | C13 | N10 | N12 | 179.2° | 179.9° |
| N11 | C13 | N10 | C17 | 1.1° | 0.2° |
| N11 | C13 | C2 | C6 | 179.8° | 179.9° |
| N11 | C13 | C2 | C1 | 1.8° | 0.3° |
| C13 | N10 | N12 | C17 | 179.7° | 179.9° |
| C13 | N10 | C17 | C21 | 88.7° | 90.0° |
| C13 | N10 | C17 | H17 | 31.3° | 150.1° |
| C13 | N10 | C17 | H17A | 151.8° | 30.1° |
| C13 | N10 | N12 | C6 | 0.8° | 0.1° |
| N10 | C13 | C2 | C6 | 1.1° | 0.0° |
| N10 | C13 | C2 | C1 | 179.1° | 179.8° |
| C2 | C13 | N10 | N12 | 0.2° | 0.0° |
| C2 | C13 | N10 | C17 | 179.9° | 179.9° |
| C13 | C2 | C6 | N12 | 1.6° | 0.0° |
| C13 | C2 | C6 | C1 | 177.7° | 179.8° |
| C13 | C2 | C6 | H6 | 178.4° | 179.9° |
| C13 | C2 | C1 | N4 | 179.9° | 180.0° |
| N12 | N10 | C17 | C21 | 90.9° | 89.9° |
| N12 | N10 | C17 | H17 | 149.1° | 30.0° |
| N12 | N10 | C17 | H17A | 28.5° | 150.1° |
| N10 | N12 | C6 | C2 | 1.5° | 0.0° |
| N10 | N12 | C6 | H6 | 178.5° | 180.0° |
| N10 | C17 | C21 | H17 | 120.0° | 120.0° |
| N10 | C17 | C21 | H17A | 119.5° | 120.0° |
| N10 | C17 | H17 | H17A | 119.5° | 120.0° |
| N10 | C17 | C21 | H21 | 80.4° | 180.0° |
| N10 | C17 | C21 | H21A | 39.6° | 60.0° |
| N10 | C17 | C21 | H21B | 159.7° | 60.0° |
| C17 | N10 | N12 | C6 | 178.9° | 180.0° |
| C21 | C17 | H17 | H17A | 119.4° | 120.0° |
| C17 | C21 | H21 | H21A | 120.0° | 120.0° |
| C17 | C21 | H21 | H21B | 120.0° | 120.0° |
| C17 | C21 | H21A | H21B | 120.0° | 120.0° |
| H17 | C17 | C21 | H21 | 159.6° | 60.0° |
| H17 | C17 | C21 | H21A | 80.4° | 180.0° |
| H17 | C17 | C21 | H21B | 39.7° | 59.9° |
| H17A | C17 | C21 | H21 | 39.1° | 60.1° |
| H17A | C17 | C21 | H21A | 159.1° | 60.0° |
| H17A | C17 | C21 | H21B | 80.9° | 180.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| N12 | C6 | C2 | H6 | 180.0° | 179.9° |
| N12 | C6 | C2 | C1 | 179.3° | 179.7° |
| C6 | C2 | C1 | N4 | 2.6° | 0.2° |
| C1 | C2 | C6 | H6 | 0.7° | 0.2° |
| C2 | C1 | N4 | C9 | 16.3° | 92.1° |
| C2 | C1 | N4 | HN4 | 103.7° | 31.9° |
| C1 | N4 | C9 | HN4 | 120.0° | 124.0° |
| C1 | N4 | C9 | C16 | 100.3° | 86.1° |
| C1 | N4 | C9 | C15 | 133.7° | 154.3° |
| C1 | N4 | C9 | H9 | 15.8° | 34.1° |
| N4 | C9 | C16 | C15 | 125.6° | 119.9° |
| N4 | C9 | C16 | H9 | 116.5° | 120.2° |
| N4 | C9 | C15 | H9 | 116.8° | 120.2° |
| N4 | C9 | C15 | C19 | 177.3° | 176.8° |
| N4 | C9 | C15 | H15 | 57.3° | 57.0° |
| N4 | C9 | C15 | H15A | 62.6° | 63.2° |
| N4 | C9 | C16 | C20 | 172.5° | 176.8° |
| N4 | C9 | C16 | H16 | 67.5° | 63.2° |
| N4 | C9 | C16 | H16A | 54.4° | 57.0° |
| HN4 | N4 | C9 | C16 | 19.7° | 37.9° |
| HN4 | N4 | C9 | C15 | 106.3° | 81.7° |
| HN4 | N4 | C9 | H9 | 135.7° | 158.1° |
| C16 | C9 | C15 | H9 | 116.2° | 119.9° |
| C16 | C9 | C15 | C19 | 50.4° | 56.9° |
| C16 | C9 | C15 | H15 | 69.6° | 62.9° |
| C16 | C9 | C15 | H15A | 170.5° | 176.9° |
| C9 | C16 | C20 | O23 | 48.5° | 57.6° |
| C9 | C16 | C20 | H16 | 120.0° | 120.0° |
| C9 | C16 | C20 | H16A | 118.1° | 119.9° |
| C9 | C16 | C20 | H20 | 168.5° | 177.6° |
| C9 | C16 | C20 | H20A | 72.4° | 62.4° |
| C9 | C16 | H16 | H16A | 118.2° | 120.1° |
| C9 | C15 | C19 | H15 | 120.0° | 119.8° |
| C9 | C15 | C19 | H15A | 120.1° | 119.9° |
| C9 | C15 | H15 | H15A | 120.1° | 120.1° |
| C9 | C15 | C19 | O23 | 57.9° | 57.6° |
| C9 | C15 | C19 | H19 | 177.9° | 177.6° |
| C9 | C15 | C19 | H19A | 62.9° | 62.4° |
| C15 | C9 | C16 | C20 | 46.8° | 56.9° |
| C15 | C9 | C16 | H16 | 166.8° | 176.9° |
| C15 | C9 | C16 | H16A | 71.2° | 63.0° |
| H9 | C9 | C15 | C19 | 65.8° | 62.9° |
| H9 | C9 | C15 | H15 | 174.2° | 177.2° |
| H9 | C9 | C15 | H15A | 54.3° | 57.1° |
| H9 | C9 | C16 | C20 | 71.0° | 62.9° |
| H9 | C9 | C16 | H16 | 49.0° | 57.0° |
| H9 | C9 | C16 | H16A | 170.9° | 177.2° |
| C19 | C15 | H15 | H15A | 120.1° | 120.3° |
| C15 | C19 | O23 | H19 | 120.0° | 119.9° |
| C15 | C19 | O23 | H19A | 120.8° | 120.1° |
| C15 | C19 | H19 | H19A | 120.8° | 120.0° |
| C15 | C19 | O23 | C20 | 67.7° | 61.2° |
| H15 | C15 | C19 | O23 | 62.1° | 62.2° |
| H15 | C15 | C19 | H19 | 57.9° | 57.7° |
| H15 | C15 | C19 | H19A | 177.1° | 177.7° |
| H15A | C15 | C19 | O23 | 178.0° | 177.5° |
| H15A | C15 | C19 | H19 | 62.0° | 62.5° |
| H15A | C15 | C19 | H19A | 57.2° | 57.4° |
| O23 | C19 | H19 | H19A | 120.8° | 120.1° |
| C19 | O23 | C20 | C16 | 61.4° | 61.1° |
| C19 | O23 | C20 | H20 | 178.6° | 178.8° |
| C19 | O23 | C20 | H20A | 59.5° | 58.8° |
| H19 | C19 | O23 | C20 | 172.2° | 178.9° |
| H19A | C19 | O23 | C20 | 53.1° | 58.8° |
| O23 | C20 | C16 | H20 | 120.0° | 120.0° |
| O23 | C20 | C16 | H20A | 120.9° | 120.0° |
| O23 | C20 | H20 | H20A | 120.9° | 120.0° |
| O23 | C20 | C16 | H16 | 168.5° | 177.5° |
| O23 | C20 | C16 | H16A | 69.5° | 62.3° |
| C16 | C20 | H20 | H20A | 120.9° | 120.0° |
| C20 | C16 | H16 | H16A | 118.2° | 120.1° |
| H20 | C20 | C16 | H16 | 71.5° | 62.4° |
| H20 | C20 | C16 | H16A | 50.5° | 57.7° |
| H20A | C20 | C16 | H16 | 47.6° | 57.6° |
| H20A | C20 | C16 | H16A | 169.6° | 177.7° |
