24R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| C | N4 | sing | 1.37Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C1 | C14 | sing | 1.49Å | 1.48Å | |
| C2 | N | doub | 1.31Å | 1.35Å | Aromatic |
| N | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C3 | N4 | sing | 1.37Å | 1.35Å | Aromatic |
| C3 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.33Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.49Å | 1.50Å | |
| C8 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | S | sing | 1.71Å | 1.71Å | Aromatic |
| S | C10 | sing | 1.76Å | 1.71Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.47Å | 1.50Å | |
| C12 | N13 | sing | 1.35Å | 1.34Å | |
| C12 | O | doub | 1.22Å | 1.22Å | |
| N13 | C20 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.35Å | Aromatic |
| N16 | N17 | sing | 1.40Å | 1.33Å | Aromatic |
| N16 | C19 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | doub | 1.31Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.47Å | 1.49Å | |
| C21 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| N22 | HN2A | sing | 1.01Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | N4 | 122.8° | 119.0° |
| C | C1 | C2 | 112.6° | 119.2° |
| C | C1 | C14 | 125.4° | 120.4° |
| C1 | C | H | 118.6° | 120.5° |
| C | N4 | C3 | 120.2° | 119.9° |
| C | N4 | N5 | 126.7° | 132.3° |
| N4 | C | H | 118.6° | 120.5° |
| C2 | C1 | C14 | 121.9° | 120.4° |
| C1 | C2 | N | 126.4° | 120.1° |
| C1 | C2 | H2 | 116.8° | 119.9° |
| C1 | C14 | C15 | 126.7° | 126.2° |
| C1 | C14 | C18 | 128.8° | 126.2° |
| C2 | N | C3 | 117.0° | 121.0° |
| N | C2 | H2 | 116.8° | 119.9° |
| N | C3 | N4 | 121.1° | 120.8° |
| N | C3 | C6 | 132.4° | 132.4° |
| N4 | C3 | C6 | 106.6° | 106.8° |
| C3 | N4 | N5 | 113.1° | 107.8° |
| C3 | C6 | C7 | 103.8° | 107.3° |
| C3 | C6 | C8 | 130.0° | 126.3° |
| N4 | N5 | C7 | 104.1° | 109.2° |
| N5 | C7 | C6 | 112.4° | 108.8° |
| N5 | C7 | H7 | 123.8° | 125.6° |
| C7 | C6 | C8 | 126.1° | 126.3° |
| C6 | C7 | H7 | 123.8° | 125.6° |
| C6 | C8 | C9 | 123.1° | 122.8° |
| C6 | C8 | C11 | 125.2° | 122.8° |
| C9 | C8 | C11 | 111.7° | 114.5° |
| C8 | C9 | S | 111.9° | 110.8° |
| C8 | C9 | H9 | 124.1° | 124.6° |
| C8 | C11 | C10 | 113.3° | 113.4° |
| C8 | C11 | H11 | 123.4° | 123.4° |
| C9 | S | C10 | 92.4° | 91.8° |
| S | C9 | H9 | 124.1° | 124.6° |
| S | C10 | C11 | 110.8° | 109.5° |
| S | C10 | C12 | 119.5° | 125.2° |
| C11 | C10 | C12 | 129.7° | 125.2° |
| C10 | C11 | H11 | 123.4° | 123.3° |
| C10 | C12 | N13 | 119.1° | 120.0° |
| C10 | C12 | O | 121.2° | 120.0° |
| N13 | C12 | O | 119.7° | 120.0° |
| C12 | N13 | C20 | 120.5° | 120.0° |
| C12 | N13 | HN13 | 119.7° | 120.0° |
| N13 | C20 | C21 | 114.2° | 109.5° |
| N13 | C20 | C23 | 109.7° | 109.5° |
| C20 | N13 | HN13 | 119.7° | 120.0° |
| N13 | C20 | H20 | 106.4° | 109.4° |
| C15 | C14 | C18 | 104.5° | 107.6° |
| C14 | C15 | N16 | 105.8° | 107.6° |
| C14 | C15 | H15 | 127.1° | 126.2° |
| C14 | C18 | N17 | 112.6° | 108.1° |
| C14 | C18 | H18 | 123.7° | 125.9° |
| C15 | N16 | N17 | 114.1° | 108.2° |
| C15 | N16 | C19 | 126.1° | 125.9° |
| N16 | C15 | H15 | 127.1° | 126.2° |
| N17 | N16 | C19 | 119.8° | 125.9° |
| N16 | N17 | C18 | 103.0° | 108.5° |
| N16 | C19 | H19 | 109.5° | 109.4° |
| N16 | C19 | H19A | 109.5° | 109.5° |
| N16 | C19 | H19B | 109.5° | 109.5° |
| N17 | C18 | H18 | 123.7° | 126.0° |
| C21 | C20 | C23 | 110.6° | 109.5° |
| C20 | C21 | N22 | 112.9° | 109.5° |
| C20 | C21 | C26 | 113.4° | 109.5° |
| C21 | C20 | H20 | 105.4° | 109.5° |
| C20 | C21 | H21 | 104.5° | 109.4° |
| C20 | C23 | C24 | 115.0° | 109.5° |
| C23 | C20 | H20 | 110.3° | 109.5° |
| C20 | C23 | H23 | 107.7° | 109.5° |
| C20 | C23 | H23A | 107.7° | 109.5° |
| N22 | C21 | C26 | 110.7° | 109.5° |
| N22 | C21 | H21 | 107.6° | 109.5° |
| C21 | N22 | HN22 | 109.5° | 111.0° |
| C21 | N22 | HN2A | 109.5° | 111.0° |
| C21 | C26 | C25 | 110.6° | 109.5° |
| C26 | C21 | H21 | 107.1° | 109.5° |
| C21 | C26 | H26 | 109.1° | 109.4° |
| C21 | C26 | H26A | 109.1° | 109.5° |
| C23 | C24 | C25 | 114.9° | 109.5° |
| C24 | C23 | H23 | 107.6° | 109.4° |
| C24 | C23 | H23A | 107.6° | 109.5° |
| C23 | C24 | H24 | 107.7° | 109.5° |
| C23 | C24 | H24A | 107.7° | 109.5° |
| C24 | C25 | C26 | 115.7° | 109.5° |
| C25 | C24 | H24 | 107.7° | 109.5° |
| C25 | C24 | H24A | 107.7° | 109.5° |
| C24 | C25 | H25 | 107.4° | 109.5° |
| C24 | C25 | H25A | 107.4° | 109.5° |
| C26 | C25 | H25 | 107.5° | 109.5° |
| C26 | C25 | H25A | 107.4° | 109.5° |
| C25 | C26 | H26 | 109.1° | 109.5° |
| C25 | C26 | H26A | 109.1° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.4° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| HN22 | N22 | HN2A | 109.4° | 110.9° |
| H23 | C23 | H23A | 111.2° | 109.5° |
| H24 | C24 | H24A | 111.2° | 109.4° |
| H25 | C25 | H25A | 111.4° | 109.4° |
| H26 | C26 | H26A | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | N4 | H | 180.0° | 179.6° |
| C | C1 | C2 | C14 | 179.9° | 179.9° |
| C | C1 | C2 | N | 0.0° | 0.0° |
| C1 | C | N4 | C3 | 0.1° | 0.1° |
| C1 | C | N4 | N5 | 179.6° | 180.0° |
| C | C1 | C14 | C15 | 11.4° | 115.0° |
| C | C1 | C14 | C18 | 167.5° | 65.2° |
| C | C1 | C2 | H2 | 180.0° | 179.9° |
| N4 | C | C1 | C2 | 0.1° | 0.1° |
| N4 | C | C1 | C14 | 180.0° | 180.0° |
| C | N4 | C3 | N | 0.1° | 0.0° |
| C | N4 | C3 | N5 | 179.8° | 180.0° |
| C | N4 | C3 | C6 | 179.8° | 180.0° |
| C | N4 | N5 | C7 | 179.6° | 179.9° |
| C1 | C2 | N | H2 | 180.0° | 179.9° |
| C1 | C2 | N | C3 | 0.0° | 0.0° |
| C2 | C1 | C14 | C15 | 168.7° | 65.1° |
| C2 | C1 | C14 | C18 | 12.3° | 114.7° |
| C2 | C1 | C | H | 179.9° | 179.7° |
| C14 | C1 | C2 | N | 179.9° | 179.9° |
| C1 | C14 | C15 | C18 | 179.1° | 179.8° |
| C1 | C14 | C15 | N16 | 179.9° | 180.0° |
| C1 | C14 | C18 | N17 | 179.9° | 179.8° |
| C14 | C1 | C | H | 0.0° | 0.4° |
| C14 | C1 | C2 | H2 | 0.1° | 0.0° |
| C1 | C14 | C15 | H15 | 0.1° | 0.1° |
| C1 | C14 | C18 | H18 | 0.1° | 0.1° |
| C2 | N | C3 | N4 | 0.0° | 0.0° |
| C2 | N | C3 | C6 | 179.6° | 180.0° |
| N | C3 | N4 | C6 | 179.7° | 180.0° |
| N | C3 | N4 | N5 | 179.7° | 180.0° |
| N | C3 | C6 | C7 | 179.8° | 180.0° |
| N | C3 | C6 | C8 | 1.5° | 0.0° |
| C3 | N | C2 | H2 | 179.9° | 180.0° |
| C3 | N4 | N5 | C7 | 0.6° | 0.0° |
| N4 | C3 | C6 | C7 | 0.6° | 0.0° |
| N4 | C3 | C6 | C8 | 178.9° | 180.0° |
| C3 | N4 | C | H | 179.8° | 179.7° |
| C6 | C3 | N4 | N5 | 0.0° | 0.0° |
| C3 | C6 | C7 | N5 | 1.0° | 0.0° |
| C3 | C6 | C7 | C8 | 178.4° | 180.0° |
| C3 | C6 | C8 | C9 | 176.9° | 50.0° |
| C3 | C6 | C8 | C11 | 5.0° | 129.7° |
| C3 | C6 | C7 | H7 | 179.0° | 180.0° |
| N4 | N5 | C7 | C6 | 1.0° | 0.0° |
| N5 | N4 | C | H | 0.4° | 0.3° |
| N4 | N5 | C7 | H7 | 179.0° | 180.0° |
| N5 | C7 | C6 | H7 | 180.0° | 179.9° |
| N5 | C7 | C6 | C8 | 179.3° | 180.0° |
| C7 | C6 | C8 | C9 | 5.2° | 130.0° |
| C7 | C6 | C8 | C11 | 172.9° | 50.2° |
| C6 | C8 | C9 | C11 | 178.4° | 179.8° |
| C6 | C8 | C9 | S | 179.5° | 180.0° |
| C6 | C8 | C11 | C10 | 179.1° | 179.9° |
| C8 | C6 | C7 | H7 | 0.6° | 0.0° |
| C6 | C8 | C9 | H9 | 0.5° | 0.0° |
| C6 | C8 | C11 | H11 | 0.9° | 0.0° |
| C8 | C9 | S | H9 | 180.0° | 180.0° |
| C8 | C9 | S | C10 | 1.0° | 0.0° |
| C9 | C8 | C11 | C10 | 0.8° | 0.4° |
| C9 | C8 | C11 | H11 | 179.2° | 179.8° |
| C11 | C8 | C9 | S | 1.2° | 0.2° |
| C8 | C11 | C10 | S | 0.0° | 0.4° |
| C8 | C11 | C10 | H11 | 180.0° | 179.8° |
| C8 | C11 | C10 | C12 | 179.4° | 179.8° |
| C11 | C8 | C9 | H9 | 178.8° | 179.8° |
| C9 | S | C10 | C11 | 0.6° | 0.2° |
| C9 | S | C10 | C12 | 179.9° | 179.9° |
| S | C10 | C11 | C12 | 179.4° | 179.9° |
| S | C10 | C12 | N13 | 177.6° | 0.1° |
| S | C10 | C12 | O | 2.4° | 180.0° |
| C10 | S | C9 | H9 | 179.0° | 180.0° |
| S | C10 | C11 | H11 | 180.0° | 179.8° |
| C11 | C10 | C12 | N13 | 3.0° | 179.7° |
| C11 | C10 | C12 | O | 177.0° | 0.2° |
| C10 | C12 | N13 | O | 180.0° | 179.9° |
| C10 | C12 | N13 | C20 | 173.4° | 180.0° |
| C12 | C10 | C11 | H11 | 0.6° | 0.1° |
| C10 | C12 | N13 | HN13 | 6.6° | 0.1° |
| C12 | N13 | C20 | HN13 | 180.0° | 179.8° |
| C12 | N13 | C20 | C21 | 147.5° | 155.0° |
| C12 | N13 | C20 | C23 | 87.6° | 84.9° |
| C12 | N13 | C20 | H20 | 31.7° | 35.1° |
| O | C12 | N13 | C20 | 6.6° | 0.1° |
| O | C12 | N13 | HN13 | 173.4° | 180.0° |
| N13 | C20 | C21 | C23 | 124.4° | 120.1° |
| N13 | C20 | C21 | H20 | 116.4° | 119.9° |
| N13 | C20 | C23 | H20 | 116.9° | 120.0° |
| N13 | C20 | C21 | N22 | 59.5° | 60.0° |
| N13 | C20 | C21 | C26 | 67.5° | 60.1° |
| N13 | C20 | C23 | C24 | 78.4° | 60.0° |
| N13 | C20 | C21 | H21 | 176.1° | 180.0° |
| N13 | C20 | C23 | H23 | 161.6° | 180.0° |
| N13 | C20 | C23 | H23A | 41.6° | 60.0° |
| C14 | C15 | N16 | H15 | 180.0° | 179.9° |
| C14 | C15 | N16 | N17 | 0.6° | 0.1° |
| C14 | C15 | N16 | C19 | 179.9° | 180.0° |
| C15 | C14 | C18 | N17 | 0.8° | 0.4° |
| C15 | C14 | C18 | H18 | 179.2° | 179.8° |
| C18 | C14 | C15 | N16 | 0.8° | 0.2° |
| C14 | C18 | N17 | N16 | 0.4° | 0.4° |
| C14 | C18 | N17 | H18 | 180.0° | 179.9° |
| C18 | C14 | C15 | H15 | 179.2° | 179.7° |
| C15 | N16 | N17 | C19 | 179.6° | 179.9° |
| C15 | N16 | N17 | C18 | 0.1° | 0.3° |
| C15 | N16 | C19 | H19 | 179.5° | 90.0° |
| C15 | N16 | C19 | H19A | 60.5° | 150.0° |
| C15 | N16 | C19 | H19B | 59.5° | 29.9° |
| N17 | N16 | C15 | H15 | 179.4° | 180.0° |
| N16 | N17 | C18 | H18 | 179.6° | 179.7° |
| N17 | N16 | C19 | H19 | 0.0° | 90.1° |
| N17 | N16 | C19 | H19A | 120.0° | 29.9° |
| N17 | N16 | C19 | H19B | 120.0° | 150.0° |
| C19 | N16 | N17 | C18 | 179.7° | 179.8° |
| C19 | N16 | C15 | H15 | 0.1° | 0.2° |
| N16 | C19 | H19 | H19A | 120.0° | 120.0° |
| N16 | C19 | H19 | H19B | 120.0° | 120.0° |
| N16 | C19 | H19A | H19B | 120.0° | 120.1° |
| C21 | C20 | C23 | H20 | 116.2° | 120.0° |
| C20 | C21 | N22 | C26 | 128.4° | 120.0° |
| C20 | C21 | N22 | H21 | 114.9° | 119.9° |
| C20 | C21 | C26 | H21 | 114.8° | 119.9° |
| C21 | C20 | C23 | C24 | 48.5° | 60.0° |
| C20 | C21 | C26 | C25 | 55.7° | 60.0° |
| C21 | C20 | N13 | HN13 | 32.5° | 25.1° |
| C20 | C21 | N22 | HN22 | 180.0° | 180.0° |
| C20 | C21 | N22 | HN2A | 60.0° | 56.1° |
| C21 | C20 | C23 | H23 | 71.4° | 60.0° |
| C21 | C20 | C23 | H23A | 168.5° | 180.0° |
| C20 | C21 | C26 | H26 | 64.3° | 60.0° |
| C20 | C21 | C26 | H26A | 175.7° | 180.0° |
| C23 | C20 | C21 | N22 | 176.1° | 180.0° |
| C23 | C20 | C21 | C26 | 56.9° | 60.0° |
| C20 | C23 | C24 | H23 | 120.0° | 120.1° |
| C20 | C23 | C24 | H23A | 120.0° | 120.0° |
| C20 | C23 | C24 | C25 | 40.8° | 60.0° |
| C23 | C20 | N13 | HN13 | 92.4° | 94.9° |
| C23 | C20 | C21 | H21 | 59.4° | 60.0° |
| C20 | C23 | H23 | H23A | 117.7° | 120.1° |
| C20 | C23 | C24 | H24 | 160.8° | 180.0° |
| C20 | C23 | C24 | H24A | 79.2° | 60.0° |
| N22 | C21 | C26 | H21 | 117.1° | 120.0° |
| N22 | C21 | C26 | C25 | 176.1° | 180.0° |
| N22 | C21 | C20 | H20 | 56.9° | 60.0° |
| C21 | N22 | HN22 | HN2A | 120.0° | 123.9° |
| N22 | C21 | C26 | H26 | 63.9° | 60.0° |
| N22 | C21 | C26 | H26A | 56.1° | 60.0° |
| C21 | C26 | C25 | C24 | 46.6° | 60.0° |
| C21 | C26 | C25 | H26 | 120.0° | 119.9° |
| C21 | C26 | C25 | H26A | 120.0° | 120.0° |
| C26 | C21 | C20 | H20 | 176.1° | 180.0° |
| C26 | C21 | N22 | HN22 | 51.6° | 60.0° |
| C26 | C21 | N22 | HN2A | 68.4° | 63.9° |
| C21 | C26 | C25 | H25 | 73.4° | 60.0° |
| C21 | C26 | C25 | H25A | 166.6° | 180.0° |
| C21 | C26 | H26 | H26A | 119.5° | 120.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 39.9° | 60.0° |
| C24 | C23 | C20 | H20 | 164.7° | 180.0° |
| C24 | C23 | H23 | H23A | 117.7° | 119.9° |
| C23 | C24 | H24 | H24A | 117.8° | 120.0° |
| C23 | C24 | C25 | H25 | 80.1° | 60.0° |
| C23 | C24 | C25 | H25A | 159.9° | 180.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C25 | C24 | C23 | H23 | 79.2° | 60.0° |
| C25 | C24 | C23 | H23A | 160.8° | 180.0° |
| C25 | C24 | H24 | H24A | 117.8° | 120.0° |
| C24 | C25 | H25 | H25A | 117.4° | 120.0° |
| C24 | C25 | C26 | H26 | 73.4° | 59.9° |
| C24 | C25 | C26 | H26A | 166.6° | 180.0° |
| C25 | C26 | C21 | H21 | 59.1° | 60.0° |
| C26 | C25 | C24 | H24 | 159.9° | 180.0° |
| C26 | C25 | C24 | H24A | 80.1° | 60.0° |
| C26 | C25 | H25 | H25A | 117.5° | 120.0° |
| C25 | C26 | H26 | H26A | 119.5° | 120.1° |
| HN13 | N13 | C20 | H20 | 148.3° | 145.1° |
| H19 | C19 | H19A | H19B | 119.9° | 120.0° |
| H20 | C20 | C21 | H21 | 59.7° | 60.0° |
| H20 | C20 | C23 | H23 | 44.8° | 60.0° |
| H20 | C20 | C23 | H23A | 75.3° | 60.0° |
| H21 | C21 | N22 | HN22 | 65.1° | 60.1° |
| H21 | C21 | N22 | HN2A | 174.9° | 176.0° |
| H21 | C21 | C26 | H26 | 179.1° | 179.9° |
| H21 | C21 | C26 | H26A | 60.9° | 60.1° |
| H23 | C23 | C24 | H24 | 40.8° | 60.0° |
| H23 | C23 | C24 | H24A | 160.8° | 179.9° |
| H23A | C23 | C24 | H24 | 79.2° | 60.0° |
| H23A | C23 | C24 | H24A | 40.8° | 60.0° |
| H24 | C24 | C25 | H25 | 39.9° | 60.0° |
| H24 | C24 | C25 | H25A | 80.1° | 60.0° |
| H24A | C24 | C25 | H25 | 159.9° | 180.0° |
| H24A | C24 | C25 | H25A | 39.9° | 60.0° |
| H25 | C25 | C26 | H26 | 166.6° | 180.0° |
| H25 | C25 | C26 | H26A | 46.6° | 60.0° |
| H25A | C25 | C26 | H26 | 46.6° | 60.1° |
| H25A | C25 | C26 | H26A | 73.4° | 60.0° |
