SS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O11 | C8 | doub | 1.21Å | 1.27Å | |
| C5 | C8 | sing | 1.48Å | 1.39Å | |
| C5 | C6 | doub | 1.41Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | N9 | sing | 1.35Å | 1.33Å | |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.46Å | |
| C23 | C21 | sing | 1.51Å | 1.49Å | |
| N9 | C12 | sing | 1.47Å | 1.48Å | |
| N9 | C7 | sing | 1.34Å | 1.35Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C7 | O10 | doub | 1.21Å | 1.47Å | |
| O15 | C13 | sing | 1.43Å | 1.44Å | |
| O15 | C16 | sing | 1.36Å | 1.39Å | |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | O24 | sing | 1.36Å | 1.37Å | |
| C25 | O24 | sing | 1.34Å | 1.46Å | |
| C25 | O27 | doub | 1.21Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 117.7° | 119.7° |
| C4 | C3 | C2 | 121.7° | 120.5° |
| C3 | C4 | H1 | 121.1° | 120.1° |
| C4 | C3 | H2 | 119.2° | 119.8° |
| C4 | C5 | C8 | 134.1° | 134.3° |
| C4 | C5 | C6 | 120.2° | 119.8° |
| C5 | C4 | H1 | 121.2° | 120.2° |
| C3 | C2 | C1 | 120.1° | 120.4° |
| C2 | C3 | H2 | 119.1° | 119.7° |
| C3 | C2 | H3 | 120.0° | 119.8° |
| O11 | C8 | C5 | 123.1° | 125.8° |
| O11 | C8 | N9 | 121.2° | 125.7° |
| C8 | C5 | C6 | 105.7° | 105.9° |
| C5 | C8 | N9 | 115.7° | 108.5° |
| C5 | C6 | C1 | 123.2° | 119.8° |
| C5 | C6 | C7 | 103.3° | 105.9° |
| C2 | C1 | C6 | 117.1° | 119.8° |
| C1 | C2 | H3 | 120.0° | 119.8° |
| C2 | C1 | H4 | 121.4° | 120.1° |
| C8 | N9 | C12 | 125.4° | 124.4° |
| C8 | N9 | C7 | 102.5° | 111.1° |
| C1 | C6 | C7 | 133.6° | 134.3° |
| C6 | C1 | H4 | 121.4° | 120.2° |
| C6 | C7 | N9 | 112.8° | 108.6° |
| C6 | C7 | O10 | 119.0° | 125.7° |
| C23 | C21 | C16 | 119.1° | 120.0° |
| C23 | C21 | C20 | 118.3° | 120.0° |
| C21 | C23 | H15 | 109.5° | 109.5° |
| C21 | C23 | H16 | 109.5° | 109.5° |
| C21 | C23 | H17 | 109.5° | 109.5° |
| C12 | N9 | C7 | 132.1° | 124.5° |
| N9 | C12 | C13 | 112.1° | 109.5° |
| N9 | C12 | C14 | 109.9° | 109.5° |
| N9 | C12 | H5 | 107.8° | 109.5° |
| N9 | C7 | O10 | 128.2° | 125.7° |
| C13 | C12 | C14 | 112.6° | 109.5° |
| C12 | C13 | O15 | 115.0° | 109.4° |
| C13 | C12 | H5 | 107.0° | 109.5° |
| C12 | C13 | H9 | 108.1° | 109.4° |
| C12 | C13 | H10 | 108.1° | 109.5° |
| C14 | C12 | H5 | 107.2° | 109.5° |
| C12 | C14 | H6 | 109.5° | 109.5° |
| C12 | C14 | H7 | 109.5° | 109.5° |
| C12 | C14 | H8 | 109.5° | 109.5° |
| C13 | O15 | C16 | 121.8° | 117.0° |
| O15 | C13 | H9 | 108.1° | 109.5° |
| O15 | C13 | H10 | 108.0° | 109.5° |
| O15 | C16 | C21 | 118.3° | 120.0° |
| O15 | C16 | C17 | 123.3° | 120.0° |
| C16 | C21 | C20 | 122.6° | 120.0° |
| C21 | C16 | C17 | 118.4° | 120.0° |
| C21 | C20 | C19 | 119.0° | 120.0° |
| C21 | C20 | H18 | 120.5° | 120.0° |
| C16 | C17 | C22 | 122.2° | 120.0° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C20 | C19 | C18 | 119.3° | 120.0° |
| C20 | C19 | O24 | 122.7° | 120.0° |
| C19 | C20 | H18 | 120.5° | 120.0° |
| C22 | C17 | C18 | 118.6° | 120.0° |
| C17 | C22 | H11 | 109.5° | 109.5° |
| C17 | C22 | H12 | 109.5° | 109.4° |
| C17 | C22 | H13 | 109.4° | 109.5° |
| C17 | C18 | C19 | 121.5° | 120.0° |
| C17 | C18 | H14 | 119.2° | 120.0° |
| C26 | C25 | O24 | 122.6° | 120.0° |
| C26 | C25 | O27 | 123.0° | 120.0° |
| C25 | C26 | H19 | 109.5° | 109.5° |
| C25 | C26 | H20 | 109.5° | 109.5° |
| C25 | C26 | H21 | 109.5° | 109.5° |
| C18 | C19 | O24 | 118.0° | 120.0° |
| C19 | C18 | H14 | 119.2° | 120.0° |
| C19 | O24 | C25 | 130.3° | 117.0° |
| O24 | C25 | O27 | 114.4° | 120.0° |
| H6 | C14 | H7 | 109.4° | 109.4° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.4° | 109.5° |
| H11 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.4° |
| H19 | C26 | H21 | 109.4° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C8 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C2 | C1 | 1.2° | 0.0° |
| C4 | C3 | C2 | H3 | 178.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.5° | 0.1° |
| C4 | C5 | C8 | O11 | 0.7° | 0.1° |
| C4 | C5 | C8 | C6 | 178.8° | 179.9° |
| C4 | C5 | C8 | N9 | 178.9° | 179.8° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C5 | C4 | C3 | H2 | 179.5° | 180.0° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.1° | 0.1° |
| C2 | C3 | C4 | H1 | 179.5° | 180.0° |
| C3 | C2 | C1 | H4 | 178.9° | 180.0° |
| O11 | C8 | C5 | N9 | 179.6° | 179.7° |
| O11 | C8 | C5 | C6 | 179.5° | 180.0° |
| O11 | C8 | N9 | C12 | 1.5° | 0.0° |
| O11 | C8 | N9 | C7 | 180.0° | 179.8° |
| C8 | C5 | C6 | C1 | 179.2° | 179.9° |
| C8 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C8 | N9 | C12 | 178.9° | 179.7° |
| C5 | C8 | N9 | C7 | 0.4° | 0.5° |
| C8 | C5 | C4 | H1 | 1.1° | 0.1° |
| C5 | C6 | C1 | C2 | 0.4° | 0.1° |
| C6 | C5 | C8 | N9 | 0.1° | 0.3° |
| C5 | C6 | C1 | C7 | 179.7° | 179.8° |
| C5 | C6 | C7 | N9 | 0.8° | 0.3° |
| C5 | C6 | C7 | O10 | 179.9° | 179.9° |
| C6 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C6 | C1 | H4 | 179.6° | 179.9° |
| C2 | C1 | C6 | H4 | 180.0° | 179.9° |
| C2 | C1 | C6 | C7 | 179.9° | 179.9° |
| C1 | C2 | C3 | H2 | 178.8° | 179.9° |
| C8 | N9 | C7 | C6 | 0.7° | 0.5° |
| C8 | N9 | C12 | C7 | 178.1° | 179.8° |
| C8 | N9 | C12 | C13 | 78.8° | 120.0° |
| C8 | N9 | C12 | C14 | 155.2° | 120.0° |
| C8 | N9 | C7 | O10 | 179.9° | 179.9° |
| C8 | N9 | C12 | H5 | 38.7° | 0.0° |
| C1 | C6 | C7 | N9 | 178.9° | 179.8° |
| C1 | C6 | C7 | O10 | 0.4° | 0.2° |
| C6 | C1 | C2 | H3 | 178.9° | 180.0° |
| C6 | C7 | N9 | C12 | 179.1° | 179.7° |
| C6 | C7 | N9 | O10 | 179.2° | 179.6° |
| C7 | C6 | C1 | H4 | 0.0° | 0.1° |
| C23 | C21 | C16 | O15 | 0.4° | 0.1° |
| C23 | C21 | C16 | C20 | 179.8° | 179.9° |
| C23 | C21 | C16 | C17 | 179.7° | 179.8° |
| C23 | C21 | C20 | C19 | 179.6° | 180.0° |
| C21 | C23 | H15 | H16 | 120.0° | 120.0° |
| C21 | C23 | H15 | H17 | 120.0° | 120.0° |
| C21 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C21 | C20 | H18 | 0.4° | 0.1° |
| N9 | C12 | C13 | C14 | 124.4° | 120.0° |
| N9 | C12 | C13 | H5 | 118.0° | 120.0° |
| N9 | C12 | C14 | H5 | 116.9° | 120.0° |
| C12 | N9 | C7 | O10 | 1.6° | 0.0° |
| N9 | C12 | C13 | O15 | 5.3° | 65.0° |
| N9 | C12 | C14 | H6 | 180.0° | 180.0° |
| N9 | C12 | C14 | H7 | 60.0° | 60.0° |
| N9 | C12 | C14 | H8 | 60.0° | 60.0° |
| N9 | C12 | C13 | H9 | 126.1° | 55.0° |
| N9 | C12 | C13 | H10 | 115.6° | 175.0° |
| C7 | N9 | C12 | C13 | 103.0° | 60.2° |
| C7 | N9 | C12 | C14 | 22.9° | 59.8° |
| C7 | N9 | C12 | H5 | 139.4° | 179.8° |
| C13 | C12 | C14 | H5 | 117.4° | 120.0° |
| C12 | C13 | O15 | H9 | 120.8° | 120.0° |
| C12 | C13 | O15 | H10 | 120.8° | 120.0° |
| C12 | C13 | O15 | C16 | 96.6° | 180.0° |
| C13 | C12 | C14 | H6 | 54.3° | 60.0° |
| C13 | C12 | C14 | H7 | 174.3° | 180.0° |
| C13 | C12 | C14 | H8 | 65.6° | 60.0° |
| C12 | C13 | H9 | H10 | 117.5° | 120.0° |
| C14 | C12 | C13 | O15 | 129.7° | 55.0° |
| C12 | C14 | H6 | H7 | 120.0° | 120.0° |
| C12 | C14 | H6 | H8 | 120.0° | 120.0° |
| C12 | C14 | H7 | H8 | 120.0° | 120.1° |
| C14 | C12 | C13 | H9 | 109.5° | 175.0° |
| C14 | C12 | C13 | H10 | 8.9° | 65.0° |
| C13 | O15 | C16 | C21 | 151.6° | 90.3° |
| C13 | O15 | C16 | C17 | 29.2° | 90.0° |
| O15 | C13 | C12 | H5 | 112.8° | 175.0° |
| O15 | C13 | H9 | H10 | 117.4° | 120.0° |
| O15 | C16 | C21 | C17 | 179.3° | 179.7° |
| O15 | C16 | C21 | C20 | 179.9° | 180.0° |
| O15 | C16 | C17 | C22 | 0.4° | 0.0° |
| O15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | O15 | C13 | H9 | 142.6° | 60.0° |
| C16 | O15 | C13 | H10 | 24.3° | 60.0° |
| C16 | C21 | C20 | C19 | 0.6° | 0.0° |
| C21 | C16 | C17 | C22 | 179.7° | 179.7° |
| C21 | C16 | C17 | C18 | 0.5° | 0.3° |
| C16 | C21 | C23 | H15 | 90.1° | 90.0° |
| C16 | C21 | C23 | H16 | 149.9° | 150.0° |
| C16 | C21 | C23 | H17 | 29.9° | 30.0° |
| C16 | C21 | C20 | H18 | 179.4° | 180.0° |
| C20 | C21 | C16 | C17 | 0.6° | 0.3° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.6° | 0.3° |
| C21 | C20 | C19 | O24 | 179.5° | 180.0° |
| C20 | C21 | C23 | H15 | 90.1° | 89.9° |
| C20 | C21 | C23 | H16 | 29.9° | 30.1° |
| C20 | C21 | C23 | H17 | 149.9° | 150.1° |
| C16 | C17 | C22 | C18 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.1° |
| C16 | C17 | C22 | H11 | 89.9° | 90.0° |
| C16 | C17 | C22 | H12 | 150.1° | 150.0° |
| C16 | C17 | C22 | H13 | 30.1° | 30.0° |
| C16 | C17 | C18 | H14 | 179.5° | 180.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.4° |
| C20 | C19 | C18 | O24 | 179.0° | 179.7° |
| C20 | C19 | O24 | C25 | 28.8° | 69.0° |
| C20 | C19 | C18 | H14 | 179.4° | 179.7° |
| C22 | C17 | C18 | C19 | 179.7° | 180.0° |
| C17 | C22 | H11 | H12 | 120.0° | 119.9° |
| C17 | C22 | H11 | H13 | 120.0° | 120.0° |
| C17 | C22 | H12 | H13 | 120.0° | 120.0° |
| C22 | C17 | C18 | H14 | 0.3° | 0.0° |
| C17 | C18 | C19 | H14 | 180.0° | 179.9° |
| C17 | C18 | C19 | O24 | 179.6° | 180.0° |
| C18 | C17 | C22 | H11 | 89.9° | 89.9° |
| C18 | C17 | C22 | H12 | 30.1° | 30.0° |
| C18 | C17 | C22 | H13 | 150.1° | 150.0° |
| C26 | C25 | O24 | C19 | 12.2° | 174.2° |
| C26 | C25 | O24 | O27 | 179.2° | 180.0° |
| C25 | C26 | H19 | H20 | 120.0° | 120.0° |
| C25 | C26 | H19 | H21 | 120.0° | 120.1° |
| C25 | C26 | H20 | H21 | 120.0° | 120.0° |
| C18 | C19 | O24 | C25 | 152.3° | 111.3° |
| C18 | C19 | C20 | H18 | 179.4° | 179.7° |
| C19 | O24 | C25 | O27 | 168.6° | 5.8° |
| O24 | C19 | C18 | H14 | 0.4° | 0.0° |
| O24 | C19 | C20 | H18 | 0.5° | 0.0° |
| O24 | C25 | C26 | H19 | 179.2° | 60.0° |
| O24 | C25 | C26 | H20 | 59.2° | 180.0° |
| O24 | C25 | C26 | H21 | 60.9° | 60.1° |
| O27 | C25 | C26 | H19 | 0.0° | 120.0° |
| O27 | C25 | C26 | H20 | 120.0° | 0.0° |
| O27 | C25 | C26 | H21 | 120.0° | 120.0° |
| H1 | C4 | C3 | H2 | 0.5° | 0.1° |
| H2 | C3 | C2 | H3 | 1.2° | 0.0° |
| H3 | C2 | C1 | H4 | 1.1° | 0.0° |
| H5 | C12 | C14 | H6 | 63.1° | 60.0° |
| H5 | C12 | C14 | H7 | 56.9° | 60.0° |
| H5 | C12 | C14 | H8 | 176.9° | 180.0° |
| H5 | C12 | C13 | H9 | 8.1° | 65.0° |
| H5 | C12 | C13 | H10 | 126.4° | 55.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H11 | C22 | H12 | H13 | 120.0° | 120.1° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H19 | C26 | H20 | H21 | 120.0° | 119.9° |
