9G9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C23 | sing | 1.44Å | 1.44Å | |
| O3 | C19 | sing | 1.37Å | 1.36Å | |
| C21 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | O1 | sing | 1.44Å | 1.44Å | |
| C19 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | O1 | sing | 1.37Å | 1.36Å | |
| C17 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C6 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C9 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | O2 | sing | 1.37Å | 1.36Å | |
| C18 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| O2 | C24 | sing | 1.44Å | 1.44Å | |
| C20 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | O4 | sing | 1.36Å | 1.36Å | |
| C24 | O4 | sing | 1.44Å | 1.44Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O3 | C19 | 101.0° | 105.5° |
| O3 | C23 | O1 | 113.3° | 103.8° |
| O3 | C23 | H19 | 108.5° | 110.6° |
| O3 | C23 | H21 | 108.5° | 110.6° |
| O3 | C19 | C21 | 125.9° | 131.5° |
| O3 | C19 | C17 | 112.4° | 108.6° |
| C19 | C21 | C15 | 117.6° | 120.0° |
| C21 | C19 | C17 | 121.8° | 119.8° |
| C19 | C21 | H17 | 121.2° | 120.0° |
| C21 | C15 | C11 | 119.9° | 120.2° |
| C21 | C15 | H15 | 120.0° | 119.8° |
| C15 | C21 | H17 | 121.2° | 120.0° |
| C23 | O1 | C17 | 101.0° | 105.5° |
| O1 | C23 | H19 | 108.5° | 110.5° |
| O1 | C23 | H21 | 108.5° | 110.6° |
| C19 | C17 | O1 | 112.3° | 108.6° |
| C19 | C17 | C13 | 121.7° | 119.8° |
| C15 | C11 | C13 | 121.9° | 120.1° |
| C15 | C11 | C7 | 119.0° | 119.9° |
| C11 | C15 | H15 | 120.0° | 120.0° |
| O1 | C17 | C13 | 126.0° | 131.6° |
| C17 | C13 | C11 | 117.0° | 120.1° |
| C17 | C13 | H13 | 121.5° | 120.0° |
| C10 | C6 | C5 | 113.0° | 109.5° |
| C10 | C6 | C8 | 108.7° | 109.5° |
| C10 | C6 | H2 | 107.1° | 109.4° |
| C6 | C10 | H10 | 109.5° | 109.4° |
| C6 | C10 | H11 | 109.5° | 109.5° |
| C6 | C10 | H12 | 109.5° | 109.5° |
| C13 | C11 | C7 | 119.1° | 120.0° |
| C11 | C13 | H13 | 121.5° | 119.9° |
| C11 | C7 | C5 | 113.8° | 109.5° |
| C11 | C7 | H3 | 108.4° | 109.5° |
| C11 | C7 | H4 | 108.4° | 109.5° |
| C9 | C5 | C6 | 110.6° | 109.5° |
| C9 | C5 | C7 | 110.8° | 109.4° |
| C9 | C5 | H1 | 107.4° | 109.5° |
| C5 | C9 | H7 | 109.5° | 109.4° |
| C5 | C9 | H8 | 109.5° | 109.5° |
| C5 | C9 | H9 | 109.5° | 109.5° |
| C6 | C5 | C7 | 113.3° | 109.5° |
| C5 | C6 | C8 | 113.8° | 109.5° |
| C6 | C5 | H1 | 107.1° | 109.5° |
| C5 | C6 | H2 | 106.8° | 109.5° |
| C7 | C5 | H1 | 107.3° | 109.5° |
| C5 | C7 | H3 | 108.4° | 109.4° |
| C5 | C7 | H4 | 108.4° | 109.5° |
| C6 | C8 | C12 | 114.6° | 109.5° |
| C8 | C6 | H2 | 107.0° | 109.5° |
| C6 | C8 | H5 | 108.2° | 109.5° |
| C6 | C8 | H6 | 108.2° | 109.5° |
| C8 | C12 | C14 | 119.2° | 120.0° |
| C8 | C12 | C16 | 119.0° | 119.9° |
| C12 | C8 | H5 | 108.2° | 109.5° |
| C12 | C8 | H6 | 108.2° | 109.5° |
| C14 | C12 | C16 | 121.9° | 120.1° |
| C12 | C14 | C18 | 117.0° | 120.0° |
| C12 | C14 | H14 | 121.5° | 120.0° |
| C12 | C16 | C22 | 119.9° | 120.1° |
| C12 | C16 | H16 | 120.1° | 119.9° |
| C14 | C18 | O2 | 125.9° | 131.5° |
| C14 | C18 | C20 | 121.8° | 119.8° |
| C18 | C14 | H14 | 121.5° | 120.0° |
| C16 | C22 | C20 | 117.7° | 120.1° |
| C22 | C16 | H16 | 120.0° | 119.9° |
| C16 | C22 | H18 | 121.2° | 120.0° |
| O2 | C18 | C20 | 112.3° | 108.6° |
| C18 | O2 | C24 | 101.0° | 105.5° |
| C18 | C20 | C22 | 121.8° | 119.8° |
| C18 | C20 | O4 | 112.3° | 108.6° |
| O2 | C24 | O4 | 113.3° | 103.7° |
| O2 | C24 | H20 | 108.5° | 110.5° |
| O2 | C24 | H22 | 108.5° | 110.6° |
| C22 | C20 | O4 | 125.9° | 131.6° |
| C20 | C22 | H18 | 121.2° | 119.9° |
| C20 | O4 | C24 | 101.0° | 105.5° |
| O4 | C24 | H20 | 108.5° | 110.6° |
| O4 | C24 | H22 | 108.5° | 110.6° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H7 | C9 | H8 | 109.4° | 109.5° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H19 | C23 | H21 | 109.5° | 110.6° |
| H20 | C24 | H22 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O3 | C19 | C21 | 179.9° | 162.7° |
| O3 | C23 | O1 | H19 | 120.6° | 118.6° |
| O3 | C23 | O1 | H21 | 120.6° | 118.6° |
| C23 | O3 | C19 | C17 | 0.0° | 17.3° |
| O3 | C23 | O1 | C17 | 0.1° | 27.2° |
| O3 | C23 | H19 | H21 | 118.3° | 122.9° |
| O3 | C19 | C21 | C17 | 179.9° | 180.0° |
| O3 | C19 | C21 | C15 | 179.9° | 179.9° |
| C19 | O3 | C23 | O1 | 0.1° | 27.1° |
| O3 | C19 | C17 | O1 | 0.0° | 0.0° |
| O3 | C19 | C17 | C13 | 179.9° | 180.0° |
| O3 | C19 | C21 | H17 | 0.1° | 0.0° |
| C19 | O3 | C23 | H19 | 120.5° | 145.7° |
| C19 | O3 | C23 | H21 | 120.7° | 91.4° |
| C19 | C21 | C15 | H17 | 180.0° | 179.8° |
| C19 | C21 | C15 | C11 | 0.1° | 0.2° |
| C21 | C19 | C17 | O1 | 179.9° | 180.0° |
| C21 | C19 | C17 | C13 | 0.0° | 0.0° |
| C19 | C21 | C15 | H15 | 179.9° | 180.0° |
| C15 | C21 | C19 | C17 | 0.1° | 0.1° |
| C21 | C15 | C11 | H15 | 180.0° | 179.8° |
| C21 | C15 | C11 | C13 | 0.0° | 0.2° |
| C21 | C15 | C11 | C7 | 180.0° | 179.8° |
| C23 | O1 | C17 | C19 | 0.1° | 17.3° |
| C23 | O1 | C17 | C13 | 179.9° | 162.7° |
| O1 | C23 | H19 | H21 | 118.2° | 122.8° |
| C19 | C17 | O1 | C13 | 179.9° | 180.0° |
| C19 | C17 | C13 | C11 | 0.0° | 0.0° |
| C19 | C17 | C13 | H13 | 180.0° | 179.9° |
| C17 | C19 | C21 | H17 | 179.9° | 179.9° |
| C15 | C11 | C13 | C17 | 0.0° | 0.1° |
| C15 | C11 | C13 | C7 | 179.9° | 180.0° |
| C15 | C11 | C7 | C5 | 90.0° | 90.1° |
| C15 | C11 | C7 | H3 | 149.4° | 150.0° |
| C15 | C11 | C7 | H4 | 30.7° | 30.0° |
| C15 | C11 | C13 | H13 | 180.0° | 180.0° |
| C11 | C15 | C21 | H17 | 179.9° | 180.0° |
| O1 | C17 | C13 | C11 | 179.9° | 180.0° |
| O1 | C17 | C13 | H13 | 0.1° | 0.1° |
| C17 | O1 | C23 | H19 | 120.5° | 145.7° |
| C17 | O1 | C23 | H21 | 120.7° | 91.5° |
| C17 | C13 | C11 | H13 | 180.0° | 179.9° |
| C17 | C13 | C11 | C7 | 180.0° | 179.9° |
| C10 | C6 | C5 | C9 | 63.0° | 180.0° |
| C10 | C6 | C5 | C8 | 124.7° | 120.0° |
| C10 | C6 | C5 | H2 | 117.5° | 120.0° |
| C10 | C6 | C5 | C7 | 171.8° | 60.0° |
| C10 | C6 | C8 | H2 | 115.4° | 120.0° |
| C10 | C6 | C8 | C12 | 74.9° | 65.0° |
| C10 | C6 | C5 | H1 | 53.7° | 60.0° |
| C10 | C6 | C8 | H5 | 45.9° | 55.0° |
| C10 | C6 | C8 | H6 | 164.4° | 175.0° |
| C6 | C10 | H10 | H11 | 120.0° | 120.0° |
| C6 | C10 | H10 | H12 | 120.0° | 120.0° |
| C6 | C10 | H11 | H12 | 120.0° | 120.0° |
| C13 | C11 | C7 | C5 | 90.0° | 90.0° |
| C13 | C11 | C7 | H3 | 30.6° | 30.0° |
| C13 | C11 | C7 | H4 | 149.4° | 150.0° |
| C13 | C11 | C15 | H15 | 179.9° | 180.0° |
| C11 | C7 | C5 | C9 | 75.7° | 65.0° |
| C11 | C7 | C5 | C6 | 159.3° | 175.0° |
| C11 | C7 | C5 | H3 | 120.6° | 120.0° |
| C11 | C7 | C5 | H4 | 120.6° | 120.1° |
| C11 | C7 | C5 | H1 | 41.2° | 54.9° |
| C11 | C7 | H3 | H4 | 118.1° | 120.0° |
| C7 | C11 | C13 | H13 | 0.0° | 0.0° |
| C7 | C11 | C15 | H15 | 0.0° | 0.1° |
| C9 | C5 | C6 | C7 | 125.1° | 120.0° |
| C9 | C5 | C6 | H1 | 116.7° | 120.0° |
| C9 | C5 | C7 | H1 | 116.9° | 119.9° |
| C9 | C5 | C6 | C8 | 61.6° | 60.0° |
| C9 | C5 | C6 | H2 | 179.4° | 60.0° |
| C9 | C5 | C7 | H3 | 44.9° | 175.0° |
| C9 | C5 | C7 | H4 | 163.6° | 55.1° |
| C5 | C9 | H7 | H8 | 120.0° | 120.0° |
| C5 | C9 | H7 | H9 | 120.0° | 120.0° |
| C5 | C9 | H8 | H9 | 120.0° | 120.1° |
| C6 | C5 | C7 | H1 | 118.0° | 120.0° |
| C5 | C6 | C8 | H2 | 117.7° | 120.0° |
| C5 | C6 | C8 | C12 | 158.2° | 175.0° |
| C6 | C5 | C7 | H3 | 80.1° | 55.0° |
| C6 | C5 | C7 | H4 | 38.6° | 64.9° |
| C5 | C6 | C8 | H5 | 81.0° | 65.0° |
| C5 | C6 | C8 | H6 | 37.5° | 55.0° |
| C6 | C5 | C9 | H7 | 180.0° | 60.0° |
| C6 | C5 | C9 | H8 | 60.0° | 180.0° |
| C6 | C5 | C9 | H9 | 60.0° | 60.0° |
| C5 | C6 | C10 | H10 | 180.0° | 60.0° |
| C5 | C6 | C10 | H11 | 60.0° | 180.0° |
| C5 | C6 | C10 | H12 | 60.0° | 60.0° |
| C7 | C5 | C6 | C8 | 63.5° | 180.0° |
| C7 | C5 | C6 | H2 | 54.3° | 60.0° |
| C5 | C7 | H3 | H4 | 118.0° | 120.0° |
| C7 | C5 | C9 | H7 | 53.4° | 180.0° |
| C7 | C5 | C9 | H8 | 66.6° | 60.0° |
| C7 | C5 | C9 | H9 | 173.5° | 60.1° |
| C6 | C8 | C12 | H5 | 120.8° | 120.0° |
| C6 | C8 | C12 | H6 | 120.8° | 120.0° |
| C6 | C8 | C12 | C14 | 90.0° | 89.9° |
| C6 | C8 | C12 | C16 | 90.0° | 89.9° |
| C8 | C6 | C5 | H1 | 178.3° | 60.0° |
| C6 | C8 | H5 | H6 | 117.7° | 120.0° |
| C8 | C6 | C10 | H10 | 52.6° | 60.0° |
| C8 | C6 | C10 | H11 | 172.6° | 60.0° |
| C8 | C6 | C10 | H12 | 67.4° | 180.0° |
| C8 | C12 | C14 | C16 | 180.0° | 179.9° |
| C8 | C12 | C14 | C18 | 180.0° | 180.0° |
| C8 | C12 | C16 | C22 | 180.0° | 179.9° |
| C12 | C8 | C6 | H2 | 40.5° | 55.0° |
| C12 | C8 | H5 | H6 | 117.7° | 120.0° |
| C8 | C12 | C14 | H14 | 0.0° | 0.1° |
| C8 | C12 | C16 | H16 | 0.0° | 0.1° |
| C12 | C14 | C18 | H14 | 180.0° | 179.9° |
| C14 | C12 | C16 | C22 | 0.0° | 0.2° |
| C12 | C14 | C18 | O2 | 179.9° | 179.9° |
| C12 | C14 | C18 | C20 | 0.0° | 0.0° |
| C14 | C12 | C8 | H5 | 30.8° | 30.0° |
| C14 | C12 | C8 | H6 | 149.2° | 150.0° |
| C14 | C12 | C16 | H16 | 180.0° | 180.0° |
| C16 | C12 | C14 | C18 | 0.0° | 0.1° |
| C12 | C16 | C22 | H16 | 180.0° | 179.8° |
| C12 | C16 | C22 | C20 | 0.0° | 0.1° |
| C16 | C12 | C8 | H5 | 149.2° | 150.1° |
| C16 | C12 | C8 | H6 | 30.8° | 30.1° |
| C16 | C12 | C14 | H14 | 180.0° | 180.0° |
| C12 | C16 | C22 | H18 | 180.0° | 179.9° |
| C14 | C18 | O2 | C20 | 179.9° | 179.9° |
| C14 | C18 | O2 | C24 | 180.0° | 162.8° |
| C14 | C18 | C20 | C22 | 0.0° | 0.1° |
| C14 | C18 | C20 | O4 | 179.9° | 180.0° |
| C16 | C22 | C20 | C18 | 0.0° | 0.0° |
| C16 | C22 | C20 | H18 | 180.0° | 180.0° |
| C16 | C22 | C20 | O4 | 179.9° | 179.9° |
| O2 | C18 | C20 | C22 | 179.9° | 180.0° |
| O2 | C18 | C20 | O4 | 0.0° | 0.0° |
| C18 | O2 | C24 | O4 | 0.1° | 27.1° |
| O2 | C18 | C14 | H14 | 0.1° | 0.1° |
| C18 | O2 | C24 | H20 | 120.6° | 91.4° |
| C18 | O2 | C24 | H22 | 120.5° | 145.7° |
| C20 | C18 | O2 | C24 | 0.1° | 17.3° |
| C18 | C20 | C22 | O4 | 179.9° | 179.9° |
| C18 | C20 | O4 | C24 | 0.0° | 17.3° |
| C20 | C18 | C14 | H14 | 180.0° | 179.9° |
| C18 | C20 | C22 | H18 | 180.0° | 180.0° |
| O2 | C24 | O4 | C20 | 0.1° | 27.1° |
| O2 | C24 | O4 | H20 | 120.6° | 118.5° |
| O2 | C24 | O4 | H22 | 120.6° | 118.6° |
| O2 | C24 | H20 | H22 | 118.3° | 122.8° |
| C22 | C20 | O4 | C24 | 180.0° | 162.7° |
| C20 | C22 | C16 | H16 | 180.0° | 179.9° |
| O4 | C20 | C22 | H18 | 0.1° | 0.1° |
| C20 | O4 | C24 | H20 | 120.6° | 91.4° |
| C20 | O4 | C24 | H22 | 120.5° | 145.7° |
| O4 | C24 | H20 | H22 | 118.2° | 122.9° |
| H1 | C5 | C6 | H2 | 63.9° | 180.0° |
| H1 | C5 | C7 | H3 | 161.9° | 65.0° |
| H1 | C5 | C7 | H4 | 79.4° | 175.0° |
| H1 | C5 | C9 | H7 | 63.4° | 60.0° |
| H1 | C5 | C9 | H8 | 176.6° | 60.0° |
| H1 | C5 | C9 | H9 | 56.6° | 180.0° |
| H2 | C6 | C8 | H5 | 161.3° | 175.0° |
| H2 | C6 | C8 | H6 | 80.2° | 65.0° |
| H2 | C6 | C10 | H10 | 62.7° | 180.0° |
| H2 | C6 | C10 | H11 | 57.3° | 60.0° |
| H2 | C6 | C10 | H12 | 177.3° | 60.0° |
| H7 | C9 | H8 | H9 | 119.9° | 120.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H15 | C15 | C21 | H17 | 0.1° | 0.2° |
| H16 | C16 | C22 | H18 | 0.0° | 0.1° |
