RI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C1 | doub | 1.31Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | C3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | N10 | sing | 1.39Å | 1.36Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | S7 | sing | 1.75Å | 1.75Å | Aromatic |
| C9 | C5 | sing | 1.46Å | 1.46Å | Aromatic |
| N6 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | S7 | sing | 1.70Å | 1.74Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | C9 | sing | 1.47Å | 1.42Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N10 | HN1A | sing | 0.97Å | 1.00Å | |
| O12 | C11 | doub | 1.22Å | 1.23Å | |
| N13 | C11 | sing | 1.35Å | 1.33Å | |
| C14 | N13 | sing | 1.40Å | 1.40Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| F21 | C15 | sing | 1.35Å | 1.35Å | |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| N20 | C16 | sing | 1.40Å | 1.33Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | F22 | sing | 1.35Å | 1.34Å | |
| S23 | N20 | sing | 1.66Å | 1.72Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| O25 | S23 | doub | 1.42Å | 1.47Å | |
| S23 | C26 | sing | 1.81Å | 1.84Å | |
| S23 | O24 | doub | 1.42Å | 1.47Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C1 | N2 | 130.0° | 122.3° |
| N6 | C1 | H1 | 115.0° | 118.8° |
| C1 | N6 | C5 | 114.5° | 121.1° |
| N2 | C1 | H1 | 115.0° | 118.9° |
| C1 | N2 | C3 | 116.3° | 121.0° |
| N2 | C3 | C4 | 118.1° | 118.9° |
| N2 | C3 | N10 | 118.9° | 120.6° |
| C4 | C3 | N10 | 123.0° | 120.5° |
| C3 | C4 | C5 | 121.1° | 118.5° |
| C3 | C4 | S7 | 123.1° | 131.4° |
| C3 | N10 | HN10 | 109.5° | 120.0° |
| C3 | N10 | HN1A | 109.5° | 120.0° |
| C5 | C4 | S7 | 115.8° | 110.1° |
| C4 | C5 | C9 | 107.1° | 111.2° |
| C4 | C5 | N6 | 120.0° | 118.3° |
| C4 | S7 | C8 | 91.0° | 93.0° |
| C9 | C5 | N6 | 132.9° | 130.5° |
| C5 | C9 | C8 | 115.5° | 113.8° |
| C5 | C9 | C11 | 119.6° | 123.1° |
| S7 | C8 | C9 | 110.6° | 112.0° |
| S7 | C8 | H8 | 124.7° | 124.0° |
| C9 | C8 | H8 | 124.7° | 124.0° |
| C8 | C9 | C11 | 124.9° | 123.1° |
| C9 | C11 | O12 | 122.8° | 120.0° |
| C9 | C11 | N13 | 110.9° | 120.0° |
| HN10 | N10 | HN1A | 109.4° | 120.0° |
| O12 | C11 | N13 | 126.2° | 120.0° |
| C11 | N13 | C14 | 128.7° | 120.0° |
| C11 | N13 | HN13 | 115.6° | 120.0° |
| C14 | N13 | HN13 | 115.6° | 120.0° |
| N13 | C14 | C15 | 119.2° | 120.1° |
| N13 | C14 | C19 | 120.7° | 120.0° |
| C15 | C14 | C19 | 120.1° | 119.9° |
| C14 | C15 | F21 | 117.2° | 120.1° |
| C14 | C15 | C16 | 119.8° | 119.8° |
| C14 | C19 | C18 | 121.4° | 120.0° |
| C14 | C19 | F22 | 117.7° | 120.0° |
| F21 | C15 | C16 | 123.0° | 120.1° |
| C15 | C16 | N20 | 120.4° | 120.0° |
| C15 | C16 | C17 | 119.6° | 119.9° |
| N20 | C16 | C17 | 120.0° | 120.0° |
| C16 | N20 | S23 | 124.4° | 120.0° |
| C16 | N20 | HN20 | 105.6° | 120.0° |
| C16 | C17 | C18 | 121.1° | 120.1° |
| C16 | C17 | H17 | 119.5° | 120.0° |
| C18 | C17 | H17 | 119.5° | 119.9° |
| C17 | C18 | C19 | 118.1° | 120.1° |
| C17 | C18 | H18 | 120.9° | 119.9° |
| C19 | C18 | H18 | 121.0° | 119.9° |
| C18 | C19 | F22 | 120.9° | 120.0° |
| S23 | N20 | HN20 | 105.6° | 120.0° |
| N20 | S23 | O25 | 110.5° | 104.3° |
| N20 | S23 | C26 | 102.7° | 104.4° |
| N20 | S23 | O24 | 104.3° | 104.3° |
| O25 | S23 | C26 | 106.6° | 110.5° |
| O25 | S23 | O24 | 121.2° | 121.1° |
| C26 | S23 | O24 | 110.1° | 110.5° |
| S23 | C26 | C27 | 112.3° | 109.4° |
| S23 | C26 | H26 | 108.8° | 109.5° |
| S23 | C26 | H26A | 108.8° | 109.5° |
| C27 | C26 | H26 | 108.8° | 109.5° |
| C27 | C26 | H26A | 108.8° | 109.5° |
| C26 | C27 | C28 | 112.3° | 109.5° |
| C26 | C27 | H27 | 108.7° | 109.5° |
| C26 | C27 | H27A | 108.8° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| C28 | C27 | H27 | 108.8° | 109.5° |
| C28 | C27 | H27A | 108.7° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C1 | N2 | H1 | 180.0° | 179.7° |
| N6 | C1 | N2 | C3 | 0.4° | 0.3° |
| C1 | N6 | C5 | C4 | 0.1° | 0.5° |
| C1 | N6 | C5 | C9 | 179.9° | 179.8° |
| C1 | N2 | C3 | C4 | 0.4° | 0.0° |
| C1 | N2 | C3 | N10 | 179.9° | 180.0° |
| N2 | C1 | N6 | C5 | 0.2° | 0.6° |
| H1 | C1 | N2 | C3 | 179.6° | 179.9° |
| H1 | C1 | N6 | C5 | 179.9° | 179.8° |
| N2 | C3 | C4 | N10 | 179.7° | 179.9° |
| N2 | C3 | C4 | C5 | 0.2° | 0.1° |
| N2 | C3 | C4 | S7 | 179.8° | 179.9° |
| N2 | C3 | N10 | HN10 | 0.0° | 0.0° |
| N2 | C3 | N10 | HN1A | 120.0° | 180.0° |
| C3 | C4 | C5 | S7 | 180.0° | 179.9° |
| C3 | C4 | C5 | C9 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 0.1° | 0.2° |
| C3 | C4 | S7 | C8 | 179.9° | 179.9° |
| C4 | C3 | N10 | HN10 | 179.7° | 180.0° |
| C4 | C3 | N10 | HN1A | 60.3° | 0.1° |
| N10 | C3 | C4 | C5 | 179.9° | 180.0° |
| N10 | C3 | C4 | S7 | 0.1° | 0.1° |
| C3 | N10 | HN10 | HN1A | 120.0° | 180.0° |
| C4 | C5 | C9 | N6 | 179.9° | 179.7° |
| C5 | C4 | S7 | C8 | 0.1° | 0.0° |
| C4 | C5 | C9 | C8 | 0.2° | 0.1° |
| C4 | C5 | C9 | C11 | 179.7° | 180.0° |
| S7 | C4 | C5 | C9 | 0.1° | 0.1° |
| S7 | C4 | C5 | N6 | 180.0° | 179.7° |
| C4 | S7 | C8 | C9 | 0.2° | 0.0° |
| C4 | S7 | C8 | H8 | 179.8° | 180.0° |
| C5 | C9 | C8 | S7 | 0.3° | 0.1° |
| C5 | C9 | C8 | C11 | 179.4° | 179.9° |
| C5 | C9 | C8 | H8 | 179.7° | 180.0° |
| C5 | C9 | C11 | O12 | 174.4° | 0.0° |
| C5 | C9 | C11 | N13 | 7.5° | 180.0° |
| N6 | C5 | C9 | C8 | 179.9° | 179.7° |
| N6 | C5 | C9 | C11 | 0.5° | 0.3° |
| S7 | C8 | C9 | H8 | 180.0° | 180.0° |
| S7 | C8 | C9 | C11 | 179.7° | 180.0° |
| C8 | C9 | C11 | O12 | 6.2° | 179.9° |
| C8 | C9 | C11 | N13 | 171.9° | 0.0° |
| H8 | C8 | C9 | C11 | 0.3° | 0.1° |
| C9 | C11 | O12 | N13 | 177.8° | 180.0° |
| C9 | C11 | N13 | C14 | 178.9° | 174.4° |
| C9 | C11 | N13 | HN13 | 1.0° | 5.7° |
| O12 | C11 | N13 | C14 | 0.9° | 5.6° |
| O12 | C11 | N13 | HN13 | 179.1° | 174.3° |
| C11 | N13 | C14 | HN13 | 180.0° | 179.9° |
| C11 | N13 | C14 | C15 | 75.2° | 46.6° |
| C11 | N13 | C14 | C19 | 105.0° | 133.6° |
| N13 | C14 | C15 | C19 | 179.8° | 179.8° |
| N13 | C14 | C15 | F21 | 0.1° | 0.0° |
| N13 | C14 | C15 | C16 | 179.4° | 180.0° |
| N13 | C14 | C19 | C18 | 179.5° | 179.8° |
| N13 | C14 | C19 | F22 | 0.4° | 0.0° |
| HN13 | N13 | C14 | C15 | 104.8° | 133.3° |
| HN13 | N13 | C14 | C19 | 75.0° | 46.5° |
| C14 | C15 | F21 | C16 | 179.5° | 180.0° |
| C14 | C15 | C16 | N20 | 179.6° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C19 | C18 | 0.3° | 0.5° |
| C15 | C14 | C19 | F22 | 179.8° | 179.8° |
| C19 | C14 | C15 | F21 | 179.9° | 179.8° |
| C19 | C14 | C15 | C16 | 0.4° | 0.2° |
| C14 | C19 | C18 | C17 | 0.0° | 0.5° |
| C14 | C19 | C18 | F22 | 179.9° | 179.8° |
| C14 | C19 | C18 | H18 | 180.0° | 179.8° |
| F21 | C15 | C16 | N20 | 0.1° | 0.0° |
| F21 | C15 | C16 | C17 | 179.7° | 180.0° |
| C15 | C16 | N20 | C17 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.8° | 179.9° |
| C15 | C16 | N20 | S23 | 179.3° | 144.1° |
| C15 | C16 | N20 | HN20 | 58.7° | 35.9° |
| N20 | C16 | C17 | C18 | 179.9° | 179.9° |
| N20 | C16 | C17 | H17 | 0.1° | 0.1° |
| C16 | N20 | S23 | HN20 | 122.0° | 180.0° |
| C16 | N20 | S23 | O25 | 176.6° | 55.7° |
| C16 | N20 | S23 | C26 | 70.1° | 60.4° |
| C16 | N20 | S23 | O24 | 44.8° | 176.4° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.3° |
| C16 | C17 | C18 | H18 | 179.7° | 180.0° |
| C17 | C16 | N20 | S23 | 0.4° | 35.9° |
| C17 | C16 | N20 | HN20 | 121.6° | 144.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | F22 | 179.9° | 179.7° |
| H17 | C17 | C18 | C19 | 179.7° | 179.8° |
| H17 | C17 | C18 | H18 | 0.3° | 0.1° |
| H18 | C18 | C19 | F22 | 0.1° | 0.0° |
| N20 | S23 | O25 | C26 | 110.9° | 111.7° |
| N20 | S23 | O25 | O24 | 122.3° | 116.8° |
| N20 | S23 | C26 | O24 | 110.6° | 111.6° |
| N20 | S23 | C26 | C27 | 46.6° | 180.0° |
| N20 | S23 | C26 | H26 | 73.8° | 60.0° |
| N20 | S23 | C26 | H26A | 167.0° | 60.0° |
| HN20 | N20 | S23 | O25 | 54.5° | 124.3° |
| HN20 | N20 | S23 | C26 | 167.9° | 119.6° |
| HN20 | N20 | S23 | O24 | 77.2° | 3.6° |
| O25 | S23 | C26 | O24 | 133.2° | 136.8° |
| O25 | S23 | C26 | C27 | 69.6° | 68.4° |
| O25 | S23 | C26 | H26 | 169.9° | 51.6° |
| O25 | S23 | C26 | H26A | 50.8° | 171.6° |
| S23 | C26 | C27 | H26 | 120.4° | 120.0° |
| S23 | C26 | C27 | H26A | 120.4° | 120.0° |
| S23 | C26 | H26 | H26A | 118.7° | 120.1° |
| S23 | C26 | C27 | C28 | 163.0° | 180.0° |
| S23 | C26 | C27 | H27 | 42.5° | 60.0° |
| S23 | C26 | C27 | H27A | 76.6° | 60.0° |
| O24 | S23 | C26 | C27 | 157.2° | 68.4° |
| O24 | S23 | C26 | H26 | 36.8° | 171.6° |
| O24 | S23 | C26 | H26A | 82.4° | 51.6° |
| C27 | C26 | H26 | H26A | 118.7° | 120.0° |
| C26 | C27 | C28 | H27 | 120.4° | 120.0° |
| C26 | C27 | C28 | H27A | 120.4° | 120.0° |
| C26 | C27 | H27 | H27A | 118.7° | 120.0° |
| C26 | C27 | C28 | H28 | 180.0° | 60.0° |
| C26 | C27 | C28 | H28A | 60.0° | 60.0° |
| C26 | C27 | C28 | H28B | 60.0° | 180.0° |
| H26 | C26 | C27 | C28 | 76.6° | 60.0° |
| H26 | C26 | C27 | H27 | 163.0° | NaN° |
| H26 | C26 | C27 | H27A | 43.8° | 60.0° |
| H26A | C26 | C27 | C28 | 42.6° | 60.0° |
| H26A | C26 | C27 | H27 | 77.9° | 60.0° |
| H26A | C26 | C27 | H27A | 163.0° | 179.9° |
| C28 | C27 | H27 | H27A | 118.7° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 59.6° | NaN° |
| H27 | C27 | C28 | H28A | 179.6° | 60.0° |
| H27 | C27 | C28 | H28B | 60.4° | 60.0° |
| H27A | C27 | C28 | H28 | 59.6° | 60.0° |
| H27A | C27 | C28 | H28A | 60.4° | 180.0° |
| H27A | C27 | C28 | H28B | 179.6° | 60.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
