SR8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | N3 | sing | 1.35Å | 1.39Å | |
| C9 | N4 | sing | 1.35Å | 1.36Å | |
| N3 | C8 | sing | 1.39Å | 1.40Å | |
| C8 | C7 | sing | 1.42Å | 1.40Å | Aromatic |
| C8 | N1 | doub | 1.31Å | 1.30Å | Aromatic |
| C7 | C2 | doub | 1.35Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | O3 | sing | 1.34Å | 1.35Å | Aromatic |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| N1 | O3 | sing | 1.21Å | 1.43Å | Aromatic |
| N4 | C10 | sing | 1.40Å | 1.41Å | |
| C10 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C14 | sing | 1.36Å | 1.40Å | |
| C14 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C6 | H63C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C9 | N3 | 122.2° | 120.0° |
| O1 | C9 | N4 | 121.9° | 120.0° |
| N3 | C9 | N4 | 115.9° | 120.0° |
| C9 | N3 | C8 | 122.6° | 120.0° |
| C9 | N3 | H3 | 118.7° | 120.0° |
| C9 | N4 | C10 | 125.2° | 120.0° |
| C9 | N4 | H4 | 117.4° | 120.0° |
| N3 | C8 | C7 | 128.4° | 127.0° |
| N3 | C8 | N1 | 119.5° | 126.9° |
| C8 | N3 | H3 | 118.7° | 120.0° |
| C7 | C8 | N1 | 112.1° | 106.2° |
| C8 | C7 | C2 | 106.1° | 104.0° |
| C8 | C7 | H7 | 127.0° | 128.0° |
| C8 | N1 | O3 | 104.4° | 111.5° |
| C7 | C2 | C3 | 135.1° | 126.8° |
| C7 | C2 | O3 | 108.6° | 106.6° |
| C2 | C7 | H7 | 126.9° | 128.0° |
| C3 | C2 | O3 | 116.2° | 126.6° |
| C2 | C3 | C6 | 110.3° | 109.4° |
| C2 | C3 | C5 | 105.5° | 109.5° |
| C2 | C3 | C4 | 112.0° | 109.4° |
| C2 | O3 | N1 | 108.8° | 111.7° |
| C6 | C3 | C5 | 111.1° | 109.5° |
| C6 | C3 | C4 | 108.9° | 109.5° |
| C3 | C6 | H61C | 109.5° | 109.5° |
| C3 | C6 | H62C | 109.5° | 109.5° |
| C3 | C6 | H63C | 109.5° | 109.5° |
| C5 | C3 | C4 | 109.0° | 109.5° |
| C3 | C5 | H51C | 109.5° | 109.5° |
| C3 | C5 | H52C | 109.4° | 109.5° |
| C3 | C5 | H53C | 109.5° | 109.5° |
| C3 | C4 | H41C | 109.5° | 109.5° |
| C3 | C4 | H42C | 109.4° | 109.5° |
| C3 | C4 | H43C | 109.5° | 109.5° |
| N4 | C10 | C20 | 121.2° | 120.0° |
| N4 | C10 | C11 | 118.3° | 120.0° |
| C10 | N4 | H4 | 117.4° | 120.0° |
| C20 | C10 | C11 | 120.5° | 119.9° |
| C10 | C20 | C19 | 119.3° | 120.0° |
| C10 | C20 | H20 | 120.3° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C20 | C19 | C13 | 120.2° | 120.0° |
| C19 | C20 | H20 | 120.3° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C13 | C12 | 120.7° | 120.0° |
| C19 | C13 | O2 | 120.5° | 120.0° |
| C13 | C19 | H19 | 119.9° | 120.0° |
| C12 | C13 | O2 | 118.8° | 120.0° |
| C13 | C12 | C11 | 119.4° | 120.0° |
| C13 | C12 | H12 | 120.3° | 120.0° |
| C13 | O2 | C14 | 123.2° | 118.0° |
| C12 | C11 | H11 | 120.1° | 119.9° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| O2 | C14 | C18 | 117.1° | 120.8° |
| O2 | C14 | C15 | 123.5° | 120.9° |
| C18 | C14 | C15 | 119.4° | 118.3° |
| C14 | C18 | C17 | 118.0° | 119.1° |
| C14 | C18 | H18 | 121.0° | 120.5° |
| C14 | C15 | C16 | 118.4° | 119.1° |
| C14 | C15 | H15 | 120.8° | 120.5° |
| C18 | C17 | N5 | 122.8° | 120.8° |
| C17 | C18 | H18 | 120.9° | 120.4° |
| C18 | C17 | H17 | 118.6° | 119.6° |
| C17 | N5 | C16 | 118.9° | 121.9° |
| N5 | C17 | H17 | 118.6° | 119.6° |
| N5 | C16 | C15 | 122.5° | 120.8° |
| N5 | C16 | H16 | 118.8° | 119.5° |
| C16 | C15 | H15 | 120.8° | 120.4° |
| C15 | C16 | H16 | 118.8° | 119.6° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H61C | C6 | H63C | 109.5° | 109.5° |
| H62C | C6 | H63C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H51C | C5 | H53C | 109.5° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.4° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H41C | C4 | H43C | 109.4° | 109.5° |
| H42C | C4 | H43C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C9 | N3 | N4 | 179.9° | 179.7° |
| O1 | C9 | N3 | C8 | 0.3° | 0.0° |
| O1 | C9 | N4 | C10 | 0.4° | 5.6° |
| O1 | C9 | N4 | H4 | 179.6° | 174.3° |
| O1 | C9 | N3 | H3 | 179.7° | 180.0° |
| C9 | N3 | C8 | H3 | 180.0° | 180.0° |
| C9 | N3 | C8 | C7 | 11.8° | 0.0° |
| C9 | N3 | C8 | N1 | 168.2° | 179.7° |
| N3 | C9 | N4 | C10 | 179.5° | 174.1° |
| N3 | C9 | N4 | H4 | 0.5° | 5.9° |
| N4 | C9 | N3 | C8 | 179.8° | 179.7° |
| C9 | N4 | C10 | H4 | 180.0° | 179.9° |
| C9 | N4 | C10 | C20 | 130.3° | 35.5° |
| C9 | N4 | C10 | C11 | 50.2° | 144.8° |
| N4 | C9 | N3 | H3 | 0.1° | 0.3° |
| N3 | C8 | C7 | N1 | 180.0° | 179.8° |
| N3 | C8 | C7 | C2 | 180.0° | 180.0° |
| N3 | C8 | N1 | O3 | 179.9° | 179.8° |
| N3 | C8 | C7 | H7 | 0.0° | 0.0° |
| C8 | C7 | C2 | H7 | 180.0° | 180.0° |
| C8 | C7 | C2 | C3 | 179.7° | 180.0° |
| C8 | C7 | C2 | O3 | 0.0° | 0.0° |
| C7 | C8 | N1 | O3 | 0.2° | 0.4° |
| C7 | C8 | N3 | H3 | 168.2° | 179.9° |
| N1 | C8 | C7 | C2 | 0.1° | 0.2° |
| C8 | N1 | O3 | C2 | 0.2° | 0.4° |
| N1 | C8 | C7 | H7 | 180.0° | 179.8° |
| N1 | C8 | N3 | H3 | 11.8° | 0.3° |
| C7 | C2 | C3 | O3 | 179.6° | 180.0° |
| C7 | C2 | C3 | C6 | 9.4° | 60.0° |
| C7 | C2 | C3 | C5 | 110.7° | 180.0° |
| C7 | C2 | C3 | C4 | 130.9° | 60.0° |
| C7 | C2 | O3 | N1 | 0.1° | 0.3° |
| C2 | C3 | C6 | C5 | 116.7° | 120.0° |
| C2 | C3 | C6 | C4 | 123.3° | 119.9° |
| C2 | C3 | C5 | C4 | 120.5° | 120.0° |
| C3 | C2 | O3 | N1 | 179.9° | 179.7° |
| C3 | C2 | C7 | H7 | 0.3° | 0.0° |
| C2 | C3 | C6 | H61C | 180.0° | 60.0° |
| C2 | C3 | C6 | H62C | 60.0° | 179.9° |
| C2 | C3 | C6 | H63C | 60.0° | 60.0° |
| C2 | C3 | C5 | H51C | 180.0° | 60.0° |
| C2 | C3 | C5 | H52C | 60.0° | 180.0° |
| C2 | C3 | C5 | H53C | 60.0° | 60.0° |
| C2 | C3 | C4 | H41C | 180.0° | 60.0° |
| C2 | C3 | C4 | H42C | 60.0° | 179.9° |
| C2 | C3 | C4 | H43C | 60.0° | 60.0° |
| O3 | C2 | C3 | C6 | 170.9° | 120.0° |
| O3 | C2 | C3 | C5 | 68.9° | 0.0° |
| O3 | C2 | C3 | C4 | 49.5° | 120.0° |
| O3 | C2 | C7 | H7 | 179.9° | 180.0° |
| C6 | C3 | C5 | C4 | 120.0° | 120.0° |
| C3 | C6 | H61C | H62C | 120.0° | 120.0° |
| C3 | C6 | H61C | H63C | 120.0° | 120.0° |
| C3 | C6 | H62C | H63C | 120.0° | 120.0° |
| C6 | C3 | C5 | H51C | 60.4° | 180.0° |
| C6 | C3 | C5 | H52C | 59.6° | 60.0° |
| C6 | C3 | C5 | H53C | 179.6° | 60.0° |
| C6 | C3 | C4 | H41C | 57.8° | 60.0° |
| C6 | C3 | C4 | H42C | 177.8° | 60.0° |
| C6 | C3 | C4 | H43C | 62.2° | 180.0° |
| C5 | C3 | C6 | H61C | 63.3° | 60.0° |
| C5 | C3 | C6 | H62C | 176.7° | 60.0° |
| C5 | C3 | C6 | H63C | 56.7° | 180.0° |
| C3 | C5 | H51C | H52C | 120.0° | 120.0° |
| C3 | C5 | H51C | H53C | 120.0° | 120.0° |
| C3 | C5 | H52C | H53C | 120.0° | 120.0° |
| C5 | C3 | C4 | H41C | 63.6° | 180.0° |
| C5 | C3 | C4 | H42C | 56.4° | 60.0° |
| C5 | C3 | C4 | H43C | 176.4° | 60.0° |
| C4 | C3 | C6 | H61C | 56.7° | 180.0° |
| C4 | C3 | C6 | H62C | 63.3° | 60.0° |
| C4 | C3 | C6 | H63C | 176.7° | 60.0° |
| C4 | C3 | C5 | H51C | 59.5° | 60.0° |
| C4 | C3 | C5 | H52C | 179.6° | 60.1° |
| C4 | C3 | C5 | H53C | 60.5° | 180.0° |
| C3 | C4 | H41C | H42C | 120.0° | 120.0° |
| C3 | C4 | H41C | H43C | 120.0° | 120.0° |
| C3 | C4 | H42C | H43C | 120.0° | 120.0° |
| N4 | C10 | C20 | C11 | 179.5° | 179.7° |
| N4 | C10 | C20 | C19 | 179.8° | 180.0° |
| N4 | C10 | C11 | C12 | 179.8° | 179.7° |
| N4 | C10 | C20 | H20 | 0.2° | 0.0° |
| N4 | C10 | C11 | H11 | 0.2° | 0.0° |
| C10 | C20 | C19 | H20 | 180.0° | 179.9° |
| C10 | C20 | C19 | C13 | 0.0° | 0.0° |
| C20 | C10 | C11 | C12 | 0.3° | 0.6° |
| C20 | C10 | N4 | H4 | 49.7° | 144.5° |
| C20 | C10 | C11 | H11 | 179.7° | 179.7° |
| C10 | C20 | C19 | H19 | 180.0° | 179.9° |
| C11 | C10 | C20 | C19 | 0.2° | 0.3° |
| C10 | C11 | C12 | C13 | 0.1° | 0.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C11 | C10 | N4 | H4 | 129.9° | 35.2° |
| C11 | C10 | C20 | H20 | 179.8° | 179.8° |
| C10 | C11 | C12 | H12 | 179.9° | 179.7° |
| C20 | C19 | C13 | H19 | 180.0° | 180.0° |
| C20 | C19 | C13 | C12 | 0.1° | 0.0° |
| C20 | C19 | C13 | O2 | 180.0° | 180.0° |
| C19 | C13 | C12 | O2 | 179.9° | 180.0° |
| C19 | C13 | C12 | C11 | 0.1° | 0.3° |
| C19 | C13 | O2 | C14 | 66.4° | 103.6° |
| C13 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C13 | O2 | C14 | 113.7° | 76.4° |
| C13 | C12 | C11 | H11 | 179.9° | 179.7° |
| C12 | C13 | C19 | H19 | 179.8° | 179.9° |
| O2 | C13 | C12 | C11 | 180.0° | 179.7° |
| C13 | O2 | C14 | C18 | 174.9° | 5.3° |
| C13 | O2 | C14 | C15 | 5.1° | 175.1° |
| O2 | C13 | C19 | H19 | 0.1° | 0.0° |
| O2 | C13 | C12 | H12 | 0.0° | 0.0° |
| O2 | C14 | C18 | C15 | 179.9° | 179.7° |
| O2 | C14 | C18 | C17 | 179.7° | 180.0° |
| O2 | C14 | C15 | C16 | 179.9° | 179.7° |
| O2 | C14 | C18 | H18 | 0.3° | 0.1° |
| O2 | C14 | C15 | H15 | 0.1° | 0.1° |
| C14 | C18 | C17 | H18 | 180.0° | 179.9° |
| C14 | C18 | C17 | N5 | 0.2° | 0.0° |
| C18 | C14 | C15 | C16 | 0.0° | 0.6° |
| C18 | C14 | C15 | H15 | 180.0° | 179.8° |
| C14 | C18 | C17 | H17 | 179.8° | 180.0° |
| C15 | C14 | C18 | C17 | 0.2° | 0.3° |
| C14 | C15 | C16 | N5 | 0.2° | 0.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C15 | C14 | C18 | H18 | 179.8° | 179.7° |
| C14 | C15 | C16 | H16 | 179.8° | 179.7° |
| C18 | C17 | N5 | H17 | 180.0° | 179.9° |
| C18 | C17 | N5 | C16 | 0.0° | 0.0° |
| C17 | N5 | C16 | C15 | 0.2° | 0.3° |
| N5 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | N5 | C16 | H16 | 179.8° | 180.0° |
| N5 | C16 | C15 | H16 | 180.0° | 179.7° |
| N5 | C16 | C15 | H15 | 179.8° | 179.8° |
| C16 | N5 | C17 | H17 | 180.0° | 180.0° |
| H61C | C6 | H62C | H63C | 120.0° | 120.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
| H41C | C4 | H42C | H43C | 120.0° | 120.0° |
| H20 | C20 | C19 | H19 | 0.0° | 0.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H18 | C18 | C17 | H17 | 0.2° | 0.1° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
