R7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N15 | doub | 1.28Å | 1.28Å | Aromatic |
| C16 | S17 | sing | 1.76Å | 1.72Å | Aromatic |
| N15 | C20 | sing | 1.35Å | 1.40Å | Aromatic |
| S17 | C21 | sing | 1.76Å | 1.73Å | Aromatic |
| C20 | C19 | doub | 1.41Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N24 | sing | 1.40Å | 1.39Å | |
| N24 | C27 | sing | 1.39Å | 1.37Å | |
| C27 | N28 | doub | 1.33Å | 1.33Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| N28 | C29 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C29 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | N14 | sing | 1.39Å | 1.38Å | |
| C13 | N14 | sing | 1.46Å | 1.46Å | |
| C13 | C11 | sing | 1.53Å | 1.48Å | |
| C30 | C10 | sing | 1.47Å | 1.50Å | |
| C10 | N8 | sing | 1.35Å | 1.33Å | |
| C10 | O9 | doub | 1.22Å | 1.23Å | |
| N8 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | F5 | sing | 1.40Å | 1.39Å | |
| C6 | C4 | sing | 1.53Å | 1.55Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N8 | H11 | sing | 0.97Å | 1.00Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| N24 | H22 | sing | 0.97Å | 1.00Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C16 | S17 | 117.0° | 110.4° |
| C16 | N15 | C20 | 110.2° | 118.1° |
| N15 | C16 | H18 | 121.5° | 124.8° |
| C16 | S17 | C21 | 88.9° | 90.4° |
| S17 | C16 | H18 | 121.5° | 124.8° |
| N15 | C20 | C19 | 126.7° | 128.8° |
| N15 | C20 | C21 | 114.2° | 112.7° |
| S17 | C21 | C20 | 109.7° | 108.3° |
| S17 | C21 | C22 | 128.6° | 131.3° |
| C19 | C20 | C21 | 119.2° | 118.4° |
| C20 | C19 | C18 | 119.5° | 120.6° |
| C20 | C19 | H20 | 120.2° | 119.7° |
| C20 | C21 | C22 | 121.7° | 120.4° |
| C19 | C18 | C23 | 120.8° | 120.7° |
| C19 | C18 | H19 | 119.6° | 119.6° |
| C18 | C19 | H20 | 120.2° | 119.7° |
| C21 | C22 | C23 | 118.1° | 119.9° |
| C21 | C22 | H21 | 120.9° | 120.1° |
| C18 | C23 | C22 | 120.7° | 119.9° |
| C18 | C23 | N24 | 117.5° | 120.0° |
| C23 | C18 | H19 | 119.6° | 119.7° |
| C22 | C23 | N24 | 121.8° | 120.1° |
| C23 | C22 | H21 | 121.0° | 120.0° |
| C23 | N24 | C27 | 127.5° | 120.0° |
| C23 | N24 | H22 | 116.2° | 120.0° |
| N24 | C27 | N28 | 112.5° | 119.5° |
| N24 | C27 | C26 | 124.5° | 119.5° |
| C27 | N24 | H22 | 116.3° | 120.0° |
| N28 | C27 | C26 | 123.0° | 121.0° |
| C27 | N28 | C29 | 117.4° | 122.0° |
| C27 | C26 | C25 | 119.4° | 119.2° |
| C27 | C26 | H23 | 120.3° | 120.4° |
| N28 | C29 | C30 | 124.7° | 120.7° |
| N28 | C29 | H24 | 117.6° | 119.6° |
| C26 | C25 | C30 | 118.0° | 118.2° |
| C26 | C25 | N14 | 122.0° | 120.9° |
| C25 | C26 | H23 | 120.3° | 120.4° |
| C13 | C12 | C11 | 59.9° | 60.0° |
| C12 | C13 | N14 | 117.3° | 117.5° |
| C12 | C13 | C11 | 60.3° | 60.0° |
| C13 | C12 | H14 | 120.0° | 117.5° |
| C13 | C12 | H15 | 120.0° | 117.5° |
| C12 | C13 | H16 | 116.2° | 117.5° |
| C12 | C11 | C13 | 59.8° | 60.0° |
| C12 | C11 | H12 | 120.1° | 117.5° |
| C12 | C11 | H13 | 120.0° | 117.5° |
| C11 | C12 | H14 | 120.0° | 117.5° |
| C11 | C12 | H15 | 120.0° | 117.5° |
| C29 | C30 | C25 | 117.5° | 118.9° |
| C29 | C30 | C10 | 121.2° | 120.6° |
| C30 | C29 | H24 | 117.6° | 119.7° |
| C30 | C25 | N14 | 120.0° | 120.9° |
| C25 | C30 | C10 | 121.3° | 120.6° |
| C25 | N14 | C13 | 124.2° | 120.0° |
| C25 | N14 | H17 | 105.6° | 120.0° |
| N14 | C13 | C11 | 118.4° | 117.5° |
| N14 | C13 | H16 | 116.6° | 115.5° |
| C13 | N14 | H17 | 105.7° | 120.0° |
| C13 | C11 | H12 | 120.0° | 117.5° |
| C13 | C11 | H13 | 120.0° | 117.5° |
| C11 | C13 | H16 | 116.1° | 117.5° |
| C30 | C10 | N8 | 116.9° | 120.0° |
| C30 | C10 | O9 | 121.6° | 120.0° |
| N8 | C10 | O9 | 121.5° | 120.0° |
| C10 | N8 | C7 | 122.2° | 120.0° |
| C10 | N8 | H11 | 118.9° | 120.0° |
| N8 | C7 | C6 | 109.9° | 109.5° |
| N8 | C7 | H9 | 109.3° | 109.5° |
| N8 | C7 | H10 | 109.4° | 109.4° |
| C7 | N8 | H11 | 118.9° | 120.0° |
| C7 | C6 | F5 | 108.2° | 109.5° |
| C7 | C6 | C4 | 113.0° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C6 | C7 | H9 | 109.4° | 109.5° |
| C6 | C7 | H10 | 109.4° | 109.5° |
| F5 | C6 | C4 | 108.2° | 109.5° |
| F5 | C6 | H8 | 110.4° | 109.5° |
| C6 | C4 | O2 | 107.8° | 109.5° |
| C6 | C4 | C1 | 111.6° | 109.5° |
| C6 | C4 | C3 | 111.5° | 109.5° |
| C4 | C6 | H8 | 108.3° | 109.5° |
| O2 | C4 | C1 | 108.8° | 109.5° |
| O2 | C4 | C3 | 106.3° | 109.4° |
| C4 | O2 | H4 | 109.5° | 113.9° |
| C1 | C4 | C3 | 110.7° | 109.5° |
| C4 | C1 | H1 | 109.5° | 109.4° |
| C4 | C1 | H2 | 109.5° | 109.5° |
| C4 | C1 | H3 | 109.5° | 109.5° |
| C4 | C3 | H5 | 109.5° | 109.5° |
| C4 | C3 | H6 | 109.4° | 109.4° |
| C4 | C3 | H7 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 115.5° |
| H14 | C12 | H15 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C16 | S17 | H18 | 180.0° | 179.9° |
| N15 | C16 | S17 | C21 | 0.2° | 0.0° |
| C16 | N15 | C20 | C19 | 178.7° | 180.0° |
| C16 | N15 | C20 | C21 | 0.1° | 0.1° |
| S17 | C16 | N15 | C20 | 0.2° | 0.0° |
| C16 | S17 | C21 | C20 | 0.1° | 0.0° |
| C16 | S17 | C21 | C22 | 179.6° | 180.0° |
| N15 | C20 | C21 | S17 | 0.0° | 0.1° |
| N15 | C20 | C19 | C21 | 178.8° | 179.9° |
| N15 | C20 | C19 | C18 | 179.3° | 180.0° |
| N15 | C20 | C21 | C22 | 179.7° | 180.0° |
| C20 | N15 | C16 | H18 | 179.7° | 179.9° |
| N15 | C20 | C19 | H20 | 0.6° | 0.1° |
| S17 | C21 | C20 | C19 | 178.9° | 180.0° |
| S17 | C21 | C20 | C22 | 179.8° | 180.0° |
| S17 | C21 | C22 | C23 | 179.4° | 179.9° |
| C21 | S17 | C16 | H18 | 179.8° | 179.9° |
| S17 | C21 | C22 | H21 | 0.7° | 0.0° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.8° | 0.1° |
| C20 | C19 | C18 | C23 | 0.1° | 0.1° |
| C20 | C19 | C18 | H19 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.6° | 0.1° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C21 | C20 | C19 | H20 | 179.4° | 180.0° |
| C20 | C21 | C22 | H21 | 179.6° | 179.9° |
| C19 | C18 | C23 | H19 | 180.0° | 180.0° |
| C19 | C18 | C23 | C22 | 0.6° | 0.0° |
| C19 | C18 | C23 | N24 | 178.1° | 180.0° |
| C21 | C22 | C23 | C18 | 0.4° | 0.0° |
| C21 | C22 | C23 | H21 | 180.0° | 179.9° |
| C21 | C22 | C23 | N24 | 178.3° | 180.0° |
| C18 | C23 | C22 | N24 | 178.7° | 180.0° |
| C18 | C23 | N24 | C27 | 130.1° | 147.2° |
| C23 | C18 | C19 | H20 | 179.9° | 180.0° |
| C18 | C23 | C22 | H21 | 179.6° | 180.0° |
| C18 | C23 | N24 | H22 | 49.8° | 32.7° |
| C22 | C23 | N24 | C27 | 48.6° | 32.8° |
| C22 | C23 | C18 | H19 | 179.4° | 180.0° |
| C22 | C23 | N24 | H22 | 131.5° | 147.2° |
| C23 | N24 | C27 | H22 | 180.0° | 179.9° |
| C23 | N24 | C27 | N28 | 179.6° | 5.5° |
| C23 | N24 | C27 | C26 | 1.0° | 174.5° |
| N24 | C23 | C18 | H19 | 1.9° | 0.0° |
| N24 | C23 | C22 | H21 | 1.7° | 0.1° |
| N24 | C27 | N28 | C26 | 179.4° | 179.9° |
| N24 | C27 | N28 | C29 | 179.1° | 180.0° |
| N24 | C27 | C26 | C25 | 178.7° | 180.0° |
| N24 | C27 | C26 | H23 | 1.3° | 0.1° |
| N28 | C27 | C26 | C25 | 0.6° | 0.0° |
| C27 | N28 | C29 | C30 | 0.2° | 0.0° |
| N28 | C27 | N24 | H22 | 0.4° | 174.5° |
| N28 | C27 | C26 | H23 | 179.5° | 180.0° |
| C27 | N28 | C29 | H24 | 179.8° | 179.9° |
| C26 | C27 | N28 | C29 | 0.3° | 0.0° |
| C27 | C26 | C25 | H23 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 0.4° | 0.0° |
| C27 | C26 | C25 | N14 | 178.3° | 179.8° |
| C26 | C27 | N24 | H22 | 179.0° | 5.6° |
| N28 | C29 | C30 | H24 | 180.0° | 179.9° |
| N28 | C29 | C30 | C25 | 0.3° | 0.1° |
| N28 | C29 | C30 | C10 | 178.3° | 179.7° |
| C26 | C25 | C30 | C29 | 0.0° | 0.1° |
| C26 | C25 | C30 | N14 | 178.7° | 179.8° |
| C26 | C25 | N14 | C13 | 0.6° | 6.3° |
| C26 | C25 | C30 | C10 | 178.6° | 179.7° |
| C26 | C25 | N14 | H17 | 122.5° | 173.7° |
| C13 | C12 | C11 | H14 | 109.4° | 107.5° |
| C13 | C12 | C11 | H15 | 109.4° | 107.5° |
| C12 | C13 | N14 | C25 | 97.2° | 155.0° |
| C12 | C13 | N14 | C11 | 69.2° | 68.6° |
| C12 | C13 | N14 | H16 | 144.6° | 145.7° |
| C12 | C13 | C11 | H16 | 106.6° | 107.5° |
| C13 | C12 | C11 | H12 | 109.4° | 107.5° |
| C13 | C12 | C11 | H13 | 109.4° | 107.5° |
| C13 | C12 | H14 | H15 | 144.7° | 145.7° |
| C12 | C13 | N14 | H17 | 24.7° | 25.0° |
| C12 | C11 | H12 | H13 | 144.9° | 145.7° |
| C11 | C12 | H14 | H15 | 144.8° | 145.7° |
| C29 | C30 | C25 | C10 | 178.6° | 179.7° |
| C29 | C30 | C25 | N14 | 178.7° | 179.7° |
| C29 | C30 | C10 | N8 | 14.7° | 5.5° |
| C29 | C30 | C10 | O9 | 164.8° | 174.5° |
| C30 | C25 | N14 | C13 | 178.1° | 173.9° |
| C25 | C30 | C10 | N8 | 166.8° | 174.8° |
| C25 | C30 | C10 | O9 | 13.7° | 5.2° |
| C30 | C25 | N14 | H17 | 56.1° | 6.1° |
| C30 | C25 | C26 | H23 | 179.6° | 179.9° |
| C25 | C30 | C29 | H24 | 179.7° | 180.0° |
| C25 | N14 | C13 | H17 | 122.0° | 180.0° |
| C25 | N14 | C13 | C11 | 166.4° | 136.4° |
| N14 | C25 | C30 | C10 | 0.1° | 0.1° |
| C25 | N14 | C13 | H16 | 47.3° | 9.4° |
| N14 | C25 | C26 | H23 | 1.7° | 0.3° |
| N14 | C13 | C11 | H16 | 146.4° | 145.1° |
| N14 | C13 | C11 | H12 | 143.6° | 145.0° |
| N14 | C13 | C11 | H13 | 2.4° | 0.0° |
| N14 | C13 | C12 | H14 | 141.7° | 0.0° |
| N14 | C13 | C12 | H15 | 0.7° | 145.0° |
| C13 | C11 | H12 | H13 | 144.8° | 145.6° |
| C11 | C13 | N14 | H17 | 44.5° | 43.6° |
| C30 | C10 | N8 | O9 | 179.5° | 180.0° |
| C30 | C10 | N8 | C7 | 172.7° | 180.0° |
| C30 | C10 | N8 | H11 | 7.3° | 0.0° |
| C10 | C30 | C29 | H24 | 1.7° | 0.4° |
| C10 | N8 | C7 | H11 | 180.0° | 180.0° |
| C10 | N8 | C7 | C6 | 94.4° | 180.0° |
| C10 | N8 | C7 | H9 | 25.6° | 59.9° |
| C10 | N8 | C7 | H10 | 145.5° | 60.0° |
| O9 | C10 | N8 | C7 | 6.8° | 0.1° |
| O9 | C10 | N8 | H11 | 173.2° | 180.0° |
| N8 | C7 | C6 | H9 | 120.0° | 120.0° |
| N8 | C7 | C6 | H10 | 120.1° | 119.9° |
| N8 | C7 | C6 | F5 | 62.7° | 60.0° |
| N8 | C7 | C6 | C4 | 177.5° | 180.0° |
| N8 | C7 | C6 | H8 | 57.3° | 60.0° |
| N8 | C7 | H9 | H10 | 119.8° | 119.9° |
| C7 | C6 | F5 | C4 | 122.8° | 120.0° |
| C7 | C6 | F5 | H8 | 118.9° | 120.0° |
| C7 | C6 | C4 | H8 | 120.6° | 120.0° |
| C7 | C6 | C4 | O2 | 68.3° | 65.0° |
| C7 | C6 | C4 | C1 | 51.1° | 175.0° |
| C7 | C6 | C4 | C3 | 175.4° | 55.0° |
| C6 | C7 | H9 | H10 | 119.8° | 120.0° |
| C6 | C7 | N8 | H11 | 85.6° | 0.0° |
| F5 | C6 | C4 | H8 | 119.6° | 120.0° |
| F5 | C6 | C4 | O2 | 171.9° | 175.0° |
| F5 | C6 | C4 | C1 | 68.7° | 55.0° |
| F5 | C6 | C4 | C3 | 55.6° | 65.0° |
| F5 | C6 | C7 | H9 | 57.4° | 180.0° |
| F5 | C6 | C7 | H10 | 177.3° | 60.0° |
| C6 | C4 | O2 | C1 | 121.1° | 120.0° |
| C6 | C4 | O2 | C3 | 119.6° | 120.0° |
| C6 | C4 | C1 | C3 | 124.8° | 120.0° |
| C6 | C4 | C1 | H1 | 180.0° | 60.0° |
| C6 | C4 | C1 | H2 | 60.0° | 60.0° |
| C6 | C4 | C1 | H3 | 60.0° | 180.0° |
| C6 | C4 | O2 | H4 | 180.0° | 60.0° |
| C6 | C4 | C3 | H5 | 180.0° | 180.0° |
| C6 | C4 | C3 | H6 | 60.0° | 60.0° |
| C6 | C4 | C3 | H7 | 60.0° | 60.0° |
| C4 | C6 | C7 | H9 | 62.4° | 60.0° |
| C4 | C6 | C7 | H10 | 57.5° | 60.1° |
| O2 | C4 | C1 | C3 | 116.5° | 120.0° |
| O2 | C4 | C1 | H1 | 61.3° | 60.0° |
| O2 | C4 | C1 | H2 | 178.8° | 180.0° |
| O2 | C4 | C1 | H3 | 58.8° | 60.0° |
| O2 | C4 | C3 | H5 | 62.8° | 60.0° |
| O2 | C4 | C3 | H6 | 57.2° | 180.0° |
| O2 | C4 | C3 | H7 | 177.2° | 60.0° |
| O2 | C4 | C6 | H8 | 52.3° | 55.0° |
| C4 | C1 | H1 | H2 | 120.0° | 120.0° |
| C4 | C1 | H1 | H3 | 120.0° | 120.0° |
| C4 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C4 | O2 | H4 | 58.9° | 60.0° |
| C1 | C4 | C3 | H5 | 55.2° | 60.0° |
| C1 | C4 | C3 | H6 | 175.2° | 60.0° |
| C1 | C4 | C3 | H7 | 64.9° | 180.0° |
| C1 | C4 | C6 | H8 | 171.6° | 65.0° |
| C3 | C4 | C1 | H1 | 55.2° | 180.0° |
| C3 | C4 | C1 | H2 | 64.8° | 60.0° |
| C3 | C4 | C1 | H3 | 175.2° | 60.0° |
| C3 | C4 | O2 | H4 | 60.4° | 180.0° |
| C4 | C3 | H5 | H6 | 120.0° | 119.9° |
| C4 | C3 | H5 | H7 | 120.0° | 120.0° |
| C4 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | C6 | H8 | 64.0° | 175.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 177.3° | 60.0° |
| H8 | C6 | C7 | H10 | 62.8° | 179.9° |
| H9 | C7 | N8 | H11 | 154.4° | 120.0° |
| H10 | C7 | N8 | H11 | 34.5° | 120.0° |
| H12 | C11 | C12 | H14 | 0.0° | 145.0° |
| H12 | C11 | C12 | H15 | 141.2° | 0.1° |
| H12 | C11 | C13 | H16 | 2.8° | 0.1° |
| H13 | C11 | C12 | H14 | 141.2° | 0.0° |
| H13 | C11 | C12 | H15 | 0.0° | 145.1° |
| H13 | C11 | C13 | H16 | 144.0° | 145.0° |
| H14 | C12 | C13 | H16 | 3.0° | 145.0° |
| H15 | C12 | C13 | H16 | 144.0° | 0.0° |
| H16 | C13 | N14 | H17 | 169.3° | 170.7° |
| H19 | C18 | C19 | H20 | 0.1° | 0.1° |
