RO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C21 | sing | 1.51Å | 1.54Å | |
| C25 | O24 | sing | 1.43Å | 1.44Å | |
| C29 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O24 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.34Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C3 | sing | 1.48Å | 1.41Å | |
| C22 | C18 | sing | 1.40Å | 1.34Å | Aromatic |
| N20 | N19 | sing | 1.40Å | 1.30Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | C5 | sing | 1.33Å | 1.33Å | Aromatic |
| C18 | N19 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.34Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.42Å | 1.38Å | Aromatic |
| C5 | N17 | sing | 1.39Å | 1.35Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.40Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| N17 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| N20 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C43 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C32 | C29 | 120.8° | 120.2° |
| C32 | C43 | C14 | 121.4° | 120.2° |
| C43 | C32 | H14 | 119.6° | 120.0° |
| C32 | C43 | H15 | 119.3° | 119.9° |
| C32 | C29 | C16 | 119.1° | 120.0° |
| C32 | C29 | H13 | 120.4° | 120.0° |
| C29 | C32 | H14 | 119.6° | 119.9° |
| C43 | C14 | O24 | 122.7° | 120.0° |
| C43 | C14 | C15 | 117.0° | 120.0° |
| C14 | C43 | H15 | 119.3° | 119.9° |
| C23 | C21 | C22 | 126.4° | 126.1° |
| C23 | C21 | N20 | 122.9° | 126.1° |
| C21 | C23 | H7 | 109.5° | 109.5° |
| C21 | C23 | H8 | 109.5° | 109.5° |
| C21 | C23 | H9 | 109.4° | 109.5° |
| C25 | O24 | C14 | 119.2° | 117.0° |
| O24 | C25 | H16 | 109.5° | 109.5° |
| O24 | C25 | H17 | 109.5° | 109.5° |
| O24 | C25 | H18 | 109.5° | 109.4° |
| C29 | C16 | C15 | 119.3° | 119.8° |
| C29 | C16 | C3 | 120.5° | 120.1° |
| C16 | C29 | H13 | 120.5° | 120.1° |
| O24 | C14 | C15 | 120.4° | 120.0° |
| C14 | C15 | C16 | 122.5° | 119.8° |
| C14 | C15 | H3 | 118.8° | 120.1° |
| C22 | C21 | N20 | 110.7° | 107.9° |
| C21 | C22 | C18 | 104.5° | 107.9° |
| C21 | C22 | H10 | 127.7° | 126.0° |
| C21 | N20 | N19 | 106.3° | 108.0° |
| C21 | N20 | H11 | 126.9° | 126.0° |
| C15 | C16 | C3 | 120.1° | 120.1° |
| C16 | C15 | H3 | 118.7° | 120.1° |
| C16 | C3 | N4 | 116.9° | 120.0° |
| C16 | C3 | C8 | 123.8° | 120.0° |
| C22 | C18 | N19 | 108.9° | 108.0° |
| C22 | C18 | N17 | 130.2° | 126.0° |
| C18 | C22 | H10 | 127.8° | 126.1° |
| N20 | N19 | C18 | 109.6° | 108.2° |
| N19 | N20 | H11 | 126.9° | 126.0° |
| N4 | C3 | C8 | 119.3° | 119.9° |
| C3 | N4 | C5 | 124.1° | 122.5° |
| C3 | C8 | C9 | 122.1° | 121.9° |
| C3 | C8 | C7 | 118.2° | 118.8° |
| N4 | C5 | N17 | 121.7° | 119.2° |
| N4 | C5 | C6 | 118.6° | 121.7° |
| N19 | C18 | N17 | 120.9° | 125.9° |
| C18 | N17 | C5 | 123.9° | 119.9° |
| C18 | N17 | H5 | 118.0° | 120.1° |
| C8 | C9 | C10 | 122.2° | 119.6° |
| C9 | C8 | C7 | 119.7° | 119.3° |
| C8 | C9 | H12 | 118.9° | 120.2° |
| C9 | C10 | C11 | 117.9° | 121.1° |
| C9 | C10 | H2 | 121.0° | 119.4° |
| C10 | C9 | H12 | 118.9° | 120.2° |
| C8 | C7 | C6 | 120.7° | 118.3° |
| C8 | C7 | C12 | 118.3° | 119.6° |
| N17 | C5 | C6 | 119.6° | 119.1° |
| C5 | N17 | H5 | 118.1° | 120.0° |
| C5 | C6 | C7 | 119.1° | 118.7° |
| C5 | C6 | H1 | 120.5° | 120.7° |
| C10 | C11 | C12 | 120.3° | 120.9° |
| C11 | C10 | H2 | 121.1° | 119.5° |
| C10 | C11 | H6 | 119.8° | 119.5° |
| C6 | C7 | C12 | 121.0° | 122.1° |
| C7 | C6 | H1 | 120.4° | 120.6° |
| C7 | C12 | C11 | 121.5° | 119.5° |
| C7 | C12 | H4 | 119.2° | 120.3° |
| C11 | C12 | H4 | 119.2° | 120.2° |
| C12 | C11 | H6 | 119.9° | 119.6° |
| H7 | C23 | H8 | 109.5° | 109.4° |
| H7 | C23 | H9 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C32 | C29 | H14 | 180.0° | 179.8° |
| C32 | C43 | C14 | H15 | 180.0° | 179.7° |
| C43 | C32 | C29 | C16 | 0.4° | 0.2° |
| C32 | C43 | C14 | O24 | 179.5° | 180.0° |
| C32 | C43 | C14 | C15 | 0.6° | 0.0° |
| C43 | C32 | C29 | H13 | 179.6° | 179.7° |
| C29 | C32 | C43 | C14 | 0.1° | 0.2° |
| C32 | C29 | C16 | H13 | 180.0° | 179.9° |
| C32 | C29 | C16 | C15 | 1.2° | 0.0° |
| C32 | C29 | C16 | C3 | 177.8° | 180.0° |
| C29 | C32 | C43 | H15 | 179.9° | 179.9° |
| C43 | C14 | O24 | C25 | 17.8° | 0.0° |
| C43 | C14 | O24 | C15 | 179.8° | 180.0° |
| C43 | C14 | C15 | C16 | 1.5° | 0.3° |
| C43 | C14 | C15 | H3 | 178.5° | 180.0° |
| C14 | C43 | C32 | H14 | 179.9° | 180.0° |
| C23 | C21 | C22 | N20 | 179.7° | 179.8° |
| C23 | C21 | C22 | C18 | 179.9° | 179.7° |
| C23 | C21 | N20 | N19 | 179.6° | 179.8° |
| C21 | C23 | H7 | H8 | 120.0° | 120.0° |
| C21 | C23 | H7 | H9 | 120.0° | 120.0° |
| C21 | C23 | H8 | H9 | 120.0° | 120.0° |
| C23 | C21 | C22 | H10 | 0.1° | 0.3° |
| C23 | C21 | N20 | H11 | 0.4° | 0.3° |
| C25 | O24 | C14 | C15 | 162.4° | 180.0° |
| O24 | C25 | H16 | H17 | 120.0° | 120.0° |
| O24 | C25 | H16 | H18 | 120.0° | 120.0° |
| O24 | C25 | H17 | H18 | 120.0° | 119.9° |
| C29 | C16 | C15 | C14 | 1.8° | 0.3° |
| C29 | C16 | C15 | C3 | 176.6° | 180.0° |
| C29 | C16 | C3 | N4 | 52.4° | 44.5° |
| C29 | C16 | C3 | C8 | 128.3° | 135.5° |
| C29 | C16 | C15 | H3 | 178.2° | 180.0° |
| C16 | C29 | C32 | H14 | 179.6° | 180.0° |
| O24 | C14 | C15 | C16 | 178.7° | 179.8° |
| O24 | C14 | C15 | H3 | 1.3° | 0.0° |
| O24 | C14 | C43 | H15 | 0.5° | 0.3° |
| C14 | O24 | C25 | H16 | 180.0° | 60.0° |
| C14 | O24 | C25 | H17 | 60.0° | 60.0° |
| C14 | O24 | C25 | H18 | 60.0° | 180.0° |
| C14 | C15 | C16 | H3 | 180.0° | 179.8° |
| C14 | C15 | C16 | C3 | 178.4° | 179.7° |
| C15 | C14 | C43 | H15 | 179.4° | 179.7° |
| C21 | C22 | C18 | H10 | 180.0° | 180.0° |
| C22 | C21 | N20 | N19 | 0.7° | 0.0° |
| C21 | C22 | C18 | N19 | 0.1° | 0.0° |
| C21 | C22 | C18 | N17 | 179.5° | 180.0° |
| C22 | C21 | C23 | H7 | 90.1° | 90.0° |
| C22 | C21 | C23 | H8 | 149.8° | 150.0° |
| C22 | C21 | C23 | H9 | 29.9° | 30.0° |
| C22 | C21 | N20 | H11 | 179.3° | 180.0° |
| N20 | C21 | C22 | C18 | 0.3° | 0.0° |
| C21 | N20 | N19 | H11 | 180.0° | 180.0° |
| C21 | N20 | N19 | C18 | 0.7° | 0.0° |
| N20 | C21 | C23 | H7 | 90.2° | 90.3° |
| N20 | C21 | C23 | H8 | 29.9° | 29.7° |
| N20 | C21 | C23 | H9 | 149.8° | 149.7° |
| N20 | C21 | C22 | H10 | 179.6° | 180.0° |
| C15 | C16 | C3 | N4 | 124.1° | 135.5° |
| C15 | C16 | C3 | C8 | 55.2° | 44.5° |
| C15 | C16 | C29 | H13 | 178.8° | 179.9° |
| C16 | C3 | N4 | C8 | 179.3° | 180.0° |
| C16 | C3 | N4 | C5 | 179.4° | 180.0° |
| C16 | C3 | C8 | C9 | 1.3° | 0.1° |
| C16 | C3 | C8 | C7 | 179.3° | 179.7° |
| C3 | C16 | C15 | H3 | 1.6° | 0.0° |
| C3 | C16 | C29 | H13 | 2.2° | 0.1° |
| C22 | C18 | N19 | N20 | 0.5° | 0.0° |
| C22 | C18 | N19 | N17 | 179.5° | 179.9° |
| C22 | C18 | N17 | C5 | 0.7° | 5.7° |
| C22 | C18 | N17 | H5 | 179.3° | 174.3° |
| N20 | N19 | C18 | N17 | 180.0° | 180.0° |
| N4 | C3 | C8 | C9 | 179.4° | 180.0° |
| N4 | C3 | C8 | C7 | 0.0° | 0.3° |
| C3 | N4 | C5 | N17 | 179.1° | 180.0° |
| C3 | N4 | C5 | C6 | 0.8° | 0.3° |
| C8 | C3 | N4 | C5 | 0.0° | 0.0° |
| C3 | C8 | C9 | C7 | 179.4° | 179.7° |
| C3 | C8 | C9 | C10 | 179.8° | 179.7° |
| C3 | C8 | C7 | C6 | 0.8° | 0.3° |
| C3 | C8 | C7 | C12 | 178.9° | 180.0° |
| C3 | C8 | C9 | H12 | 0.2° | 0.2° |
| N4 | C5 | N17 | C18 | 11.3° | 4.9° |
| N4 | C5 | N17 | C6 | 178.2° | 179.7° |
| N4 | C5 | C6 | C7 | 1.6° | 0.3° |
| N4 | C5 | C6 | H1 | 178.4° | 179.7° |
| N4 | C5 | N17 | H5 | 168.7° | 175.1° |
| N19 | C18 | N17 | C5 | 179.9° | 174.4° |
| N19 | C18 | N17 | H5 | 0.1° | 5.6° |
| N19 | C18 | C22 | H10 | 179.9° | 180.0° |
| C18 | N19 | N20 | H11 | 179.3° | 180.0° |
| C18 | N17 | C5 | H5 | 180.0° | 179.9° |
| C18 | N17 | C5 | C6 | 170.4° | 174.8° |
| N17 | C18 | C22 | H10 | 0.5° | 0.0° |
| C8 | C9 | C10 | H12 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.5° | 0.5° |
| C9 | C8 | C7 | C6 | 179.8° | 180.0° |
| C9 | C8 | C7 | C12 | 1.7° | 0.3° |
| C8 | C9 | C10 | H2 | 179.5° | 179.7° |
| C10 | C9 | C8 | C7 | 0.8° | 0.5° |
| C9 | C10 | C11 | H2 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 1.0° | 0.2° |
| C9 | C10 | C11 | H6 | 179.0° | 179.7° |
| C8 | C7 | C6 | C5 | 1.6° | 0.0° |
| C8 | C7 | C6 | C12 | 178.1° | 179.7° |
| C8 | C7 | C12 | C11 | 1.2° | 0.0° |
| C8 | C7 | C6 | H1 | 178.4° | 180.0° |
| C8 | C7 | C12 | H4 | 178.7° | 179.9° |
| C7 | C8 | C9 | H12 | 179.2° | 180.0° |
| N17 | C5 | C6 | C7 | 179.9° | 180.0° |
| N17 | C5 | C6 | H1 | 0.2° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C12 | 179.7° | 179.7° |
| C6 | C5 | N17 | H5 | 9.6° | 5.3° |
| C10 | C11 | C12 | C7 | 0.1° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | H4 | 179.9° | 180.0° |
| C11 | C10 | C9 | H12 | 179.5° | 180.0° |
| C6 | C7 | C12 | C11 | 179.4° | 179.7° |
| C6 | C7 | C12 | H4 | 0.6° | 0.3° |
| C7 | C12 | C11 | H4 | 180.0° | 180.0° |
| C12 | C7 | C6 | H1 | 0.4° | 0.3° |
| C7 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | C11 | C10 | H2 | 179.0° | 180.0° |
| H2 | C10 | C11 | H6 | 1.0° | 0.1° |
| H2 | C10 | C9 | H12 | 0.5° | 0.2° |
| H4 | C12 | C11 | H6 | 0.1° | 0.1° |
| H7 | C23 | H8 | H9 | 120.0° | 120.0° |
| H13 | C29 | C32 | H14 | 0.4° | 0.1° |
| H14 | C32 | C43 | H15 | 0.1° | 0.3° |
| H16 | C25 | H17 | H18 | 120.0° | 120.1° |
