CC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| O2 | C7 | sing | 1.36Å | 1.38Å | |
| O3 | C8 | sing | 1.36Å | 1.39Å | |
| C7 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | C2 | doub | 1.36Å | 1.23Å | |
| C2 | C1 | sing | 1.41Å | 1.31Å | |
| C1 | C11 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.22Å | 1.28Å | |
| C18 | O5 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C12 | O4 | doub | 1.22Å | 1.29Å | |
| C12 | C13 | sing | 1.41Å | 1.29Å | |
| O5 | C17 | sing | 1.36Å | 1.41Å | |
| C13 | C14 | doub | 1.36Å | 1.23Å | |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.47Å | 1.43Å | |
| C15 | C21 | doub | 1.40Å | 1.36Å | Aromatic |
| C19 | O6 | sing | 1.36Å | 1.33Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.33Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| O6 | H20 | sing | 0.97Å | 0.95Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O3 | C8 | 120.6° | 117.0° |
| O3 | C9 | H4 | 109.5° | 109.5° |
| O3 | C9 | H5 | 109.5° | 109.4° |
| O3 | C9 | H6 | 109.4° | 109.4° |
| O2 | C7 | C8 | 120.9° | 119.9° |
| O2 | C7 | C6 | 117.7° | 119.9° |
| C7 | O2 | H7 | 109.5° | 114.0° |
| O3 | C8 | C7 | 122.2° | 119.9° |
| O3 | C8 | C10 | 117.2° | 120.0° |
| C8 | C7 | C6 | 121.4° | 120.2° |
| C7 | C8 | C10 | 120.6° | 120.0° |
| C7 | C6 | C5 | 117.9° | 120.2° |
| C7 | C6 | H8 | 121.1° | 119.9° |
| C8 | C10 | C4 | 116.1° | 119.9° |
| C8 | C10 | H3 | 121.9° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C5 | C6 | H8 | 121.1° | 119.9° |
| C6 | C5 | H9 | 119.8° | 120.0° |
| C10 | C4 | C5 | 123.4° | 119.8° |
| C10 | C4 | C3 | 115.6° | 120.1° |
| C4 | C10 | H3 | 121.9° | 120.1° |
| C5 | C4 | C3 | 120.9° | 120.1° |
| C4 | C5 | H9 | 119.7° | 120.0° |
| C4 | C3 | C2 | 116.0° | 120.0° |
| C4 | C3 | H2 | 122.0° | 120.0° |
| C3 | C2 | C1 | 130.0° | 120.0° |
| C3 | C2 | H1 | 115.0° | 120.0° |
| C2 | C3 | H2 | 122.0° | 120.0° |
| C2 | C1 | C11 | 103.2° | 120.0° |
| C2 | C1 | O1 | 123.3° | 120.0° |
| C1 | C2 | H1 | 115.0° | 120.0° |
| C11 | C1 | O1 | 132.3° | 120.0° |
| C1 | C11 | C12 | 132.5° | 109.5° |
| C1 | C11 | H10 | 103.5° | 109.5° |
| C1 | C11 | H11 | 103.4° | 109.4° |
| C18 | O5 | C17 | 130.1° | 117.0° |
| O5 | C18 | H17 | 109.5° | 109.5° |
| O5 | C18 | H18 | 109.5° | 109.4° |
| O5 | C18 | H19 | 109.4° | 109.5° |
| C11 | C12 | O4 | 143.1° | 120.0° |
| C11 | C12 | C13 | 91.8° | 120.0° |
| C12 | C11 | H10 | 103.4° | 109.5° |
| C12 | C11 | H11 | 103.4° | 109.5° |
| O4 | C12 | C13 | 124.5° | 120.0° |
| C12 | C13 | C14 | 133.1° | 120.0° |
| C12 | C13 | H13 | 113.4° | 120.0° |
| O5 | C17 | C16 | 113.6° | 120.0° |
| O5 | C17 | C19 | 135.9° | 120.0° |
| C13 | C14 | C15 | 111.0° | 120.0° |
| C14 | C13 | H13 | 113.5° | 120.0° |
| C13 | C14 | H14 | 124.5° | 120.0° |
| C17 | C16 | C15 | 127.7° | 119.9° |
| C16 | C17 | C19 | 109.3° | 120.0° |
| C17 | C16 | H16 | 116.1° | 120.0° |
| C16 | C15 | C14 | 118.3° | 120.1° |
| C16 | C15 | C21 | 120.6° | 119.8° |
| C15 | C16 | H16 | 116.2° | 120.1° |
| C17 | C19 | O6 | 126.3° | 119.9° |
| C17 | C19 | C20 | 122.9° | 120.2° |
| C14 | C15 | C21 | 120.5° | 120.1° |
| C15 | C14 | H14 | 124.5° | 120.0° |
| C15 | C21 | C20 | 113.1° | 120.0° |
| C15 | C21 | H22 | 123.4° | 120.0° |
| O6 | C19 | C20 | 110.0° | 119.9° |
| C19 | O6 | H20 | 109.5° | 114.0° |
| C19 | C20 | C21 | 124.9° | 120.2° |
| C19 | C20 | H21 | 117.5° | 119.9° |
| C21 | C20 | H21 | 117.5° | 119.9° |
| C20 | C21 | H22 | 123.4° | 120.0° |
| H4 | C9 | H5 | 109.4° | 109.5° |
| H4 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | O3 | C8 | C7 | 97.9° | 180.0° |
| C9 | O3 | C8 | C10 | 81.9° | 0.0° |
| O3 | C9 | H4 | H5 | 120.0° | 120.0° |
| O3 | C9 | H4 | H6 | 120.0° | 120.0° |
| O3 | C9 | H5 | H6 | 120.0° | 119.9° |
| O2 | C7 | C8 | O3 | 1.7° | 0.1° |
| O2 | C7 | C8 | C6 | 179.1° | 180.0° |
| O2 | C7 | C8 | C10 | 178.5° | 180.0° |
| O2 | C7 | C6 | C5 | 178.6° | 179.8° |
| O2 | C7 | C6 | H8 | 1.4° | 0.0° |
| O3 | C8 | C7 | C10 | 179.8° | 180.0° |
| O3 | C8 | C7 | C6 | 179.2° | 180.0° |
| O3 | C8 | C10 | C4 | 178.0° | 180.0° |
| O3 | C8 | C10 | H3 | 2.1° | 0.1° |
| C8 | O3 | C9 | H4 | 180.0° | 60.0° |
| C8 | O3 | C9 | H5 | 60.0° | 60.0° |
| C8 | O3 | C9 | H6 | 60.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.5° | 0.2° |
| C7 | C8 | C10 | C4 | 1.9° | 0.0° |
| C7 | C8 | C10 | H3 | 178.1° | 180.0° |
| C8 | C7 | O2 | H7 | 180.0° | 90.0° |
| C8 | C7 | C6 | H8 | 179.5° | 180.0° |
| C6 | C7 | C8 | C10 | 0.6° | 0.0° |
| C7 | C6 | C5 | H8 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 1.8° | 0.5° |
| C6 | C7 | O2 | H7 | 0.9° | 90.0° |
| C7 | C6 | C5 | H9 | 178.3° | 180.0° |
| C8 | C10 | C4 | H3 | 180.0° | 179.9° |
| C8 | C10 | C4 | C5 | 3.2° | 0.3° |
| C8 | C10 | C4 | C3 | 175.8° | 180.0° |
| C6 | C5 | C4 | C10 | 3.3° | 0.6° |
| C6 | C5 | C4 | H9 | 180.0° | 179.5° |
| C6 | C5 | C4 | C3 | 175.6° | 179.8° |
| C10 | C4 | C5 | C3 | 178.9° | 179.7° |
| C10 | C4 | C3 | C2 | 178.3° | 180.0° |
| C10 | C4 | C3 | H2 | 1.7° | 0.1° |
| C10 | C4 | C5 | H9 | 176.7° | 180.0° |
| C5 | C4 | C3 | C2 | 2.7° | 0.3° |
| C5 | C4 | C3 | H2 | 177.3° | 179.8° |
| C5 | C4 | C10 | H3 | 176.7° | 179.8° |
| C4 | C5 | C6 | H8 | 178.2° | 179.7° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 171.8° | 180.0° |
| C4 | C3 | C2 | H1 | 8.2° | 0.1° |
| C3 | C4 | C10 | H3 | 4.3° | 0.1° |
| C3 | C4 | C5 | H9 | 4.3° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C11 | 177.8° | 180.0° |
| C3 | C2 | C1 | O1 | 9.0° | 0.2° |
| C2 | C1 | C11 | O1 | 167.3° | 179.8° |
| C2 | C1 | C11 | C12 | 88.8° | 179.7° |
| C1 | C2 | C3 | H2 | 8.2° | 0.1° |
| C2 | C1 | C11 | H10 | 148.3° | 60.2° |
| C2 | C1 | C11 | H11 | 34.1° | 59.8° |
| C1 | C11 | C12 | H10 | 122.9° | 120.1° |
| C1 | C11 | C12 | H11 | 122.9° | 119.9° |
| C1 | C11 | C12 | O4 | 56.9° | 0.1° |
| C1 | C11 | C12 | C13 | 132.5° | 180.0° |
| C11 | C1 | C2 | H1 | 2.2° | 0.1° |
| C1 | C11 | H10 | H11 | 109.8° | 120.0° |
| O1 | C1 | C11 | C12 | 104.0° | 0.0° |
| O1 | C1 | C2 | H1 | 171.0° | 179.7° |
| O1 | C1 | C11 | H10 | 18.9° | 120.0° |
| O1 | C1 | C11 | H11 | 133.1° | 120.0° |
| C18 | O5 | C17 | C16 | 104.1° | 0.1° |
| C18 | O5 | C17 | C19 | 89.7° | 180.0° |
| O5 | C18 | H17 | H18 | 120.0° | 119.9° |
| O5 | C18 | H17 | H19 | 120.0° | 120.0° |
| O5 | C18 | H18 | H19 | 120.0° | 119.9° |
| C11 | C12 | O4 | C13 | 168.6° | 180.0° |
| C11 | C12 | C13 | C14 | 173.9° | 180.0° |
| C12 | C11 | H10 | H11 | 109.8° | 120.0° |
| C11 | C12 | C13 | H13 | 6.1° | 0.0° |
| O4 | C12 | C13 | C14 | 12.9° | 0.0° |
| O4 | C12 | C11 | H10 | 179.8° | 120.0° |
| O4 | C12 | C11 | H11 | 66.0° | 120.0° |
| O4 | C12 | C13 | H13 | 167.1° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 174.5° | 180.0° |
| C13 | C12 | C11 | H10 | 9.6° | 60.0° |
| C13 | C12 | C11 | H11 | 104.6° | 60.0° |
| C12 | C13 | C14 | H14 | 5.5° | 0.0° |
| O5 | C17 | C16 | C19 | 169.9° | 180.0° |
| O5 | C17 | C16 | C15 | 175.2° | 179.9° |
| O5 | C17 | C19 | O6 | 13.8° | 0.0° |
| O5 | C17 | C19 | C20 | 177.8° | 180.0° |
| O5 | C17 | C16 | H16 | 4.7° | 0.0° |
| C17 | O5 | C18 | H17 | 180.0° | 60.0° |
| C17 | O5 | C18 | H18 | 60.0° | 180.0° |
| C17 | O5 | C18 | H19 | 60.0° | 60.1° |
| C13 | C14 | C15 | C16 | 0.5° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C21 | 170.9° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 177.0° | 180.0° |
| C17 | C16 | C15 | C21 | 5.6° | 0.2° |
| C16 | C17 | C19 | O6 | 179.6° | 180.0° |
| C16 | C17 | C19 | C20 | 11.2° | 0.0° |
| C15 | C16 | C17 | C19 | 5.3° | 0.0° |
| C16 | C15 | C14 | C21 | 171.4° | 179.7° |
| C16 | C15 | C21 | C20 | 10.1° | 0.5° |
| C16 | C15 | C14 | H14 | 179.4° | 0.2° |
| C16 | C15 | C21 | H22 | 169.9° | 179.7° |
| C17 | C19 | O6 | C20 | 169.7° | 180.0° |
| C17 | C19 | C20 | C21 | 7.2° | 0.2° |
| C19 | C17 | C16 | H16 | 174.6° | 180.0° |
| C17 | C19 | O6 | H20 | 180.0° | 90.0° |
| C17 | C19 | C20 | H21 | 172.8° | 180.0° |
| C14 | C15 | C21 | C20 | 178.7° | 179.8° |
| C15 | C14 | C13 | H13 | 5.5° | 0.0° |
| C14 | C15 | C16 | H16 | 3.0° | 0.1° |
| C14 | C15 | C21 | H22 | 1.3° | 0.0° |
| C15 | C21 | C20 | C19 | 4.3° | 0.5° |
| C15 | C21 | C20 | H22 | 180.0° | 179.8° |
| C21 | C15 | C14 | H14 | 9.1° | 180.0° |
| C21 | C15 | C16 | H16 | 174.4° | 179.8° |
| C15 | C21 | C20 | H21 | 175.7° | 179.8° |
| O6 | C19 | C20 | C21 | 177.3° | 179.8° |
| O6 | C19 | C20 | H21 | 2.7° | 0.0° |
| C19 | C20 | C21 | H21 | 180.0° | 179.7° |
| C20 | C19 | O6 | H20 | 10.3° | 90.0° |
| C19 | C20 | C21 | H22 | 175.7° | 179.7° |
| H1 | C2 | C3 | H2 | 171.8° | 180.0° |
| H4 | C9 | H5 | H6 | 120.0° | 120.1° |
| H8 | C6 | C5 | H9 | 1.8° | 0.2° |
| H13 | C13 | C14 | H14 | 174.5° | 179.9° |
| H17 | C18 | H18 | H19 | 120.0° | 120.1° |
| H21 | C20 | C21 | H22 | 4.3° | 0.0° |
