RO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O3 | sing | 1.35Å | 1.36Å | Aromatic |
| C7 | C4 | doub | 1.34Å | 1.48Å | Aromatic |
| O3 | C2 | sing | 1.34Å | 1.38Å | Aromatic |
| C2 | C16 | sing | 1.48Å | 1.40Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C16 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | C20 | sing | 1.51Å | 1.49Å | |
| C20 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | O22 | sing | 1.43Å | 1.41Å | |
| O22 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C5 | sing | 1.42Å | 1.46Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C8 | doub | 1.37Å | 1.42Å | Aromatic |
| C5 | C15 | sing | 1.45Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.45Å | Aromatic |
| C15 | C12 | doub | 1.32Å | 1.40Å | Aromatic |
| C12 | S9 | sing | 1.75Å | 1.71Å | Aromatic |
| C6 | S9 | sing | 1.76Å | 1.64Å | Aromatic |
| C6 | C8 | sing | 1.40Å | 1.49Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | O24 | sing | 1.43Å | 1.44Å | |
| C14 | C10 | sing | 1.51Å | 1.50Å | |
| O24 | C28 | sing | 1.43Å | 1.44Å | |
| C10 | O21 | sing | 1.34Å | 1.23Å | |
| C10 | O18 | doub | 1.21Å | 1.23Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | 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 | |
| O21 | HO21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C7 | O3 | 119.4° | 126.4° |
| C25 | C7 | C4 | 131.5° | 126.3° |
| C7 | C25 | H25 | 109.5° | 109.5° |
| C7 | C25 | H25A | 109.5° | 109.5° |
| C7 | C25 | H25B | 109.5° | 109.5° |
| O3 | C7 | C4 | 109.1° | 107.3° |
| C7 | O3 | C2 | 103.7° | 107.7° |
| C7 | C4 | N1 | 106.8° | 107.9° |
| C7 | C4 | C20 | 123.1° | 126.1° |
| O3 | C2 | C16 | 130.1° | 125.7° |
| O3 | C2 | N1 | 114.0° | 108.6° |
| C16 | C2 | N1 | 115.8° | 125.7° |
| C2 | C16 | C26 | 121.7° | 120.2° |
| C2 | C16 | C27 | 118.9° | 120.1° |
| C2 | N1 | C4 | 106.4° | 108.6° |
| C26 | C16 | C27 | 119.5° | 119.7° |
| C16 | C26 | C29 | 121.0° | 119.8° |
| C16 | C26 | H26 | 119.5° | 120.1° |
| C16 | C27 | C30 | 120.2° | 119.8° |
| C16 | C27 | H27 | 119.9° | 120.1° |
| C26 | C29 | C31 | 118.7° | 120.2° |
| C29 | C26 | H26 | 119.5° | 120.1° |
| C26 | C29 | H29 | 120.6° | 119.9° |
| C29 | C31 | C30 | 120.6° | 120.3° |
| C31 | C29 | H29 | 120.6° | 119.9° |
| C29 | C31 | H31 | 119.7° | 119.9° |
| C31 | C30 | C27 | 120.0° | 120.1° |
| C30 | C31 | H31 | 119.7° | 119.8° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C27 | C30 | H30 | 120.0° | 119.9° |
| C30 | C27 | H27 | 119.9° | 120.0° |
| N1 | C4 | C20 | 130.2° | 126.0° |
| C4 | C20 | C23 | 111.0° | 109.5° |
| C4 | C20 | H20 | 109.0° | 109.5° |
| C4 | C20 | H20A | 108.6° | 109.4° |
| C20 | C23 | O22 | 108.1° | 109.4° |
| C23 | C20 | H20 | 109.0° | 109.5° |
| C23 | C20 | H20A | 108.6° | 109.5° |
| C20 | C23 | H23 | 109.9° | 109.5° |
| C20 | C23 | H23A | 110.2° | 109.5° |
| C23 | O22 | C13 | 119.9° | 117.0° |
| O22 | C23 | H23 | 109.9° | 109.5° |
| O22 | C23 | H23A | 110.2° | 109.5° |
| O22 | C13 | C19 | 122.4° | 119.9° |
| O22 | C13 | C5 | 116.7° | 119.9° |
| C19 | C13 | C5 | 120.9° | 120.2° |
| C13 | C19 | C17 | 120.9° | 120.4° |
| C13 | C19 | H19 | 119.6° | 119.8° |
| C13 | C5 | C15 | 126.1° | 129.3° |
| C13 | C5 | C6 | 119.4° | 118.8° |
| C19 | C17 | C8 | 121.3° | 120.3° |
| C17 | C19 | H19 | 119.6° | 119.8° |
| C19 | C17 | H17 | 119.4° | 119.9° |
| C17 | C8 | C6 | 119.8° | 120.4° |
| C17 | C8 | C11 | 118.0° | 119.8° |
| C8 | C17 | H17 | 119.4° | 119.8° |
| C15 | C5 | C6 | 114.5° | 111.9° |
| C5 | C15 | C12 | 106.1° | 114.9° |
| C5 | C15 | H15 | 127.0° | 122.6° |
| C5 | C6 | S9 | 110.6° | 109.7° |
| C5 | C6 | C8 | 117.8° | 119.9° |
| C15 | C12 | S9 | 115.4° | 111.3° |
| C12 | C15 | H15 | 126.9° | 122.5° |
| C15 | C12 | H12 | 122.3° | 124.3° |
| C12 | S9 | C6 | 93.4° | 92.2° |
| S9 | C12 | H12 | 122.3° | 124.4° |
| S9 | C6 | C8 | 131.6° | 130.5° |
| C6 | C8 | C11 | 122.2° | 119.8° |
| C8 | C11 | C14 | 107.6° | 109.5° |
| C8 | C11 | H11 | 110.1° | 109.5° |
| C8 | C11 | H11A | 110.5° | 109.5° |
| C11 | C14 | O24 | 109.7° | 109.5° |
| C11 | C14 | C10 | 108.6° | 109.5° |
| C14 | C11 | H11 | 110.1° | 109.5° |
| C14 | C11 | H11A | 110.5° | 109.5° |
| C11 | C14 | H14 | 110.8° | 109.5° |
| O24 | C14 | C10 | 112.1° | 109.5° |
| C14 | O24 | C28 | 111.9° | 114.0° |
| O24 | C14 | H14 | 107.2° | 109.5° |
| C14 | C10 | O21 | 118.5° | 120.0° |
| C14 | C10 | O18 | 119.5° | 120.0° |
| C10 | C14 | H14 | 108.4° | 109.5° |
| O24 | C28 | H28 | 109.5° | 109.5° |
| O24 | C28 | H28A | 109.4° | 109.5° |
| O24 | C28 | H28B | 109.5° | 109.5° |
| O21 | C10 | O18 | 122.0° | 120.0° |
| C10 | O21 | HO21 | 109.5° | 117.0° |
| H25 | C25 | H25A | 109.5° | 109.4° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H20 | C20 | H20A | 110.7° | 109.5° |
| H23 | C23 | H23A | 108.4° | 109.5° |
| H11 | C11 | H11A | 108.0° | 109.4° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C7 | O3 | C4 | 178.5° | 179.8° |
| C25 | C7 | O3 | C2 | 179.1° | 180.0° |
| C25 | C7 | C4 | N1 | 179.1° | 179.8° |
| C25 | C7 | C4 | C20 | 1.9° | 0.0° |
| C7 | C25 | H25 | H25A | 120.0° | 120.0° |
| C7 | C25 | H25 | H25B | 120.0° | 120.1° |
| C7 | C25 | H25A | H25B | 120.0° | 120.0° |
| C7 | O3 | C2 | C16 | 178.3° | 180.0° |
| C7 | O3 | C2 | N1 | 0.1° | 0.0° |
| O3 | C7 | C4 | N1 | 0.8° | 0.4° |
| O3 | C7 | C4 | C20 | 179.8° | 179.7° |
| O3 | C7 | C25 | H25 | 40.7° | 0.1° |
| O3 | C7 | C25 | H25A | 79.3° | 120.0° |
| O3 | C7 | C25 | H25B | 160.7° | 120.0° |
| C4 | C7 | O3 | C2 | 0.5° | 0.3° |
| C7 | C4 | N1 | C2 | 0.7° | 0.4° |
| C7 | C4 | N1 | C20 | 178.9° | 179.9° |
| C7 | C4 | C20 | C23 | 86.8° | 90.0° |
| C4 | C7 | C25 | H25 | 141.1° | 179.8° |
| C4 | C7 | C25 | H25A | 98.9° | 60.3° |
| C4 | C7 | C25 | H25B | 21.1° | 59.7° |
| C7 | C4 | C20 | H20 | 153.2° | 150.0° |
| C7 | C4 | C20 | H20A | 32.6° | 30.0° |
| O3 | C2 | C16 | N1 | 178.4° | 180.0° |
| O3 | C2 | C16 | C26 | 178.5° | 0.0° |
| O3 | C2 | C16 | C27 | 1.6° | 179.7° |
| O3 | C2 | N1 | C4 | 0.4° | 0.2° |
| C2 | C16 | C26 | C27 | 179.9° | 179.7° |
| C2 | C16 | C26 | C29 | 179.9° | 180.0° |
| C2 | C16 | C27 | C30 | 180.0° | 179.7° |
| C16 | C2 | N1 | C4 | 179.1° | 179.7° |
| C2 | C16 | C26 | H26 | 0.1° | 0.0° |
| C2 | C16 | C27 | H27 | 0.1° | 0.0° |
| N1 | C2 | C16 | C26 | 0.1° | 180.0° |
| N1 | C2 | C16 | C27 | 180.0° | 0.3° |
| C2 | N1 | C4 | C20 | 179.6° | 179.7° |
| C16 | C26 | C29 | H26 | 180.0° | 180.0° |
| C16 | C26 | C29 | C31 | 0.1° | 0.0° |
| C26 | C16 | C27 | C30 | 0.1° | 0.6° |
| C16 | C26 | C29 | H29 | 179.8° | 180.0° |
| C26 | C16 | C27 | H27 | 179.9° | 179.7° |
| C27 | C16 | C26 | C29 | 0.0° | 0.3° |
| C16 | C27 | C30 | C31 | 0.1° | 0.6° |
| C16 | C27 | C30 | H27 | 180.0° | 179.7° |
| C27 | C16 | C26 | H26 | 180.0° | 179.7° |
| C16 | C27 | C30 | H30 | 179.9° | 179.7° |
| C26 | C29 | C31 | H29 | 180.0° | 179.9° |
| C26 | C29 | C31 | C30 | 0.1° | 0.0° |
| C26 | C29 | C31 | H31 | 179.9° | 179.9° |
| C29 | C31 | C30 | H31 | 180.0° | 179.9° |
| C29 | C31 | C30 | C27 | 0.0° | 0.3° |
| C31 | C29 | C26 | H26 | 179.9° | 180.0° |
| C29 | C31 | C30 | H30 | 180.0° | 180.0° |
| C31 | C30 | C27 | H30 | 180.0° | 179.7° |
| C30 | C31 | C29 | H29 | 179.9° | 179.9° |
| C31 | C30 | C27 | H27 | 179.8° | 179.7° |
| C27 | C30 | C31 | H31 | 180.0° | 179.7° |
| N1 | C4 | C20 | C23 | 94.5° | 89.9° |
| N1 | C4 | C20 | H20 | 25.6° | 30.2° |
| N1 | C4 | C20 | H20A | 146.2° | 150.2° |
| C4 | C20 | C23 | H20 | 120.0° | 120.0° |
| C4 | C20 | C23 | H20A | 119.4° | 119.9° |
| C4 | C20 | C23 | O22 | 92.7° | 180.0° |
| C4 | C20 | H20 | H20A | 119.4° | 120.0° |
| C4 | C20 | C23 | H23 | 27.3° | 60.0° |
| C4 | C20 | C23 | H23A | 146.7° | 60.0° |
| C20 | C23 | O22 | H23 | 120.0° | 120.0° |
| C20 | C23 | O22 | H23A | 120.5° | 120.0° |
| C20 | C23 | O22 | C13 | 168.3° | 180.0° |
| C23 | C20 | H20 | H20A | 119.3° | 120.0° |
| C20 | C23 | H23 | H23A | 120.5° | 120.0° |
| C23 | O22 | C13 | C19 | 15.5° | 0.0° |
| C23 | O22 | C13 | C5 | 166.4° | 179.7° |
| O22 | C23 | C20 | H20 | 147.3° | 60.0° |
| O22 | C23 | C20 | H20A | 26.6° | 60.0° |
| O22 | C23 | H23 | H23A | 120.6° | 120.0° |
| O22 | C13 | C19 | C5 | 178.1° | 179.8° |
| O22 | C13 | C19 | C17 | 179.5° | 180.0° |
| O22 | C13 | C5 | C15 | 0.5° | 0.0° |
| O22 | C13 | C5 | C6 | 179.4° | 180.0° |
| C13 | O22 | C23 | H23 | 48.3° | 60.0° |
| C13 | O22 | C23 | H23A | 71.1° | 60.0° |
| O22 | C13 | C19 | H19 | 0.5° | 0.0° |
| C13 | C19 | C17 | H19 | 180.0° | 180.0° |
| C13 | C19 | C17 | C8 | 0.8° | 0.0° |
| C19 | C13 | C5 | C15 | 178.6° | 179.7° |
| C19 | C13 | C5 | C6 | 1.3° | 0.2° |
| C13 | C19 | C17 | H17 | 179.2° | 180.0° |
| C5 | C13 | C19 | C17 | 1.5° | 0.2° |
| C13 | C5 | C15 | C6 | 179.9° | 180.0° |
| C13 | C5 | C15 | C12 | 179.2° | 180.0° |
| C13 | C5 | C6 | S9 | 179.0° | 180.0° |
| C13 | C5 | C6 | C8 | 0.4° | 0.0° |
| C5 | C13 | C19 | H19 | 178.5° | 179.8° |
| C13 | C5 | C15 | H15 | 0.8° | 0.0° |
| C19 | C17 | C8 | H17 | 180.0° | 180.0° |
| C19 | C17 | C8 | C6 | 0.0° | 0.3° |
| C19 | C17 | C8 | C11 | 179.4° | 180.0° |
| C17 | C8 | C6 | C5 | 0.2° | 0.3° |
| C17 | C8 | C6 | S9 | 179.4° | 179.7° |
| C17 | C8 | C6 | C11 | 179.4° | 179.8° |
| C17 | C8 | C11 | C14 | 84.5° | 95.0° |
| C8 | C17 | C19 | H19 | 179.2° | 180.0° |
| C17 | C8 | C11 | H11 | 35.4° | 25.1° |
| C17 | C8 | C11 | H11A | 154.7° | 145.0° |
| C5 | C15 | C12 | H15 | 180.0° | 180.0° |
| C5 | C15 | C12 | S9 | 0.3° | 0.0° |
| C15 | C5 | C6 | S9 | 1.1° | 0.0° |
| C15 | C5 | C6 | C8 | 179.5° | 180.0° |
| C5 | C15 | C12 | H12 | 179.7° | 180.0° |
| C6 | C5 | C15 | C12 | 0.9° | 0.0° |
| C5 | C6 | S9 | C12 | 0.7° | 0.0° |
| C5 | C6 | S9 | C8 | 179.3° | 180.0° |
| C5 | C6 | C8 | C11 | 179.2° | 180.0° |
| C6 | C5 | C15 | H15 | 179.1° | 180.0° |
| C15 | C12 | S9 | H12 | 180.0° | 180.0° |
| C15 | C12 | S9 | C6 | 0.3° | 0.0° |
| C12 | S9 | C6 | C8 | 180.0° | 180.0° |
| S9 | C12 | C15 | H15 | 179.7° | 180.0° |
| S9 | C6 | C8 | C11 | 0.0° | 0.0° |
| C6 | S9 | C12 | H12 | 179.8° | 180.0° |
| C6 | C8 | C11 | C14 | 94.9° | 85.2° |
| C6 | C8 | C17 | H17 | 179.9° | 179.7° |
| C6 | C8 | C11 | H11 | 145.1° | 154.7° |
| C6 | C8 | C11 | H11A | 25.8° | 34.8° |
| C8 | C11 | C14 | H11 | 120.0° | 120.0° |
| C8 | C11 | C14 | H11A | 120.7° | 120.0° |
| C8 | C11 | C14 | O24 | 74.2° | 65.0° |
| C8 | C11 | C14 | C10 | 162.9° | 175.0° |
| C11 | C8 | C17 | H17 | 0.6° | 0.0° |
| C8 | C11 | H11 | H11A | 120.8° | 119.9° |
| C8 | C11 | C14 | H14 | 44.0° | 55.0° |
| C11 | C14 | O24 | C10 | 120.7° | 120.0° |
| C11 | C14 | O24 | H14 | 120.4° | 120.0° |
| C11 | C14 | C10 | H14 | 120.5° | 120.0° |
| C11 | C14 | O24 | C28 | 175.6° | 150.0° |
| C11 | C14 | C10 | O21 | 85.1° | 65.0° |
| C11 | C14 | C10 | O18 | 93.0° | 115.0° |
| C14 | C11 | H11 | H11A | 120.7° | 120.0° |
| O24 | C14 | C10 | H14 | 118.1° | 120.0° |
| O24 | C14 | C10 | O21 | 153.6° | 175.0° |
| O24 | C14 | C10 | O18 | 28.4° | 5.0° |
| O24 | C14 | C11 | H11 | 165.8° | 175.0° |
| O24 | C14 | C11 | H11A | 46.5° | 55.0° |
| C14 | O24 | C28 | H28 | 32.8° | 180.0° |
| C14 | O24 | C28 | H28A | 152.8° | 60.0° |
| C14 | O24 | C28 | H28B | 87.1° | 60.0° |
| C10 | C14 | O24 | C28 | 63.7° | 90.0° |
| C14 | C10 | O21 | O18 | 178.0° | 180.0° |
| C10 | C14 | C11 | H11 | 42.9° | 55.0° |
| C10 | C14 | C11 | H11A | 76.3° | 65.0° |
| C14 | C10 | O21 | HO21 | 178.0° | 180.0° |
| C28 | O24 | C14 | H14 | 55.2° | 30.0° |
| O24 | C28 | H28 | H28A | 120.0° | 120.0° |
| O24 | C28 | H28 | H28B | 120.0° | 120.0° |
| O24 | C28 | H28A | H28B | 120.0° | 120.0° |
| O21 | C10 | C14 | H14 | 35.4° | 55.0° |
| O18 | C10 | C14 | H14 | 146.5° | 125.0° |
| O18 | C10 | O21 | HO21 | 0.0° | 0.0° |
| H25 | C25 | H25A | H25B | 119.9° | 120.0° |
| H26 | C26 | C29 | H29 | 0.1° | 0.0° |
| H29 | C29 | C31 | H31 | 0.1° | 0.0° |
| H31 | C31 | C30 | H30 | 0.0° | 0.0° |
| H30 | C30 | C27 | H27 | 0.1° | 0.0° |
| H20 | C20 | C23 | H23 | 92.7° | 180.0° |
| H20 | C20 | C23 | H23A | 26.7° | 60.0° |
| H20A | C20 | C23 | H23 | 146.7° | 60.0° |
| H20A | C20 | C23 | H23A | 93.9° | 180.0° |
| H19 | C19 | C17 | H17 | 0.8° | 0.0° |
| H15 | C15 | C12 | H12 | 0.3° | 0.0° |
| H11 | C11 | C14 | H14 | 76.1° | 65.0° |
| H11A | C11 | C14 | H14 | 164.7° | 175.0° |
| H28 | C28 | H28A | H28B | 120.0° | 119.9° |
