CD9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | sing | 1.44Å | 1.44Å | |
| O23 | C15 | sing | 1.36Å | 1.40Å | |
| C22 | O21 | sing | 1.44Å | 1.45Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.36Å | Aromatic |
| O21 | C16 | sing | 1.36Å | 1.38Å | |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.46Å | |
| O19 | C18 | sing | 1.35Å | 1.26Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C18 | O20 | doub | 1.22Å | 1.28Å | |
| C11 | N10 | sing | 1.47Å | 1.44Å | |
| O9 | C8 | doub | 1.21Å | 1.22Å | |
| N10 | C8 | sing | 1.34Å | 1.38Å | |
| N10 | C4 | sing | 1.40Å | 1.39Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| CL24 | C2 | sing | 1.74Å | 1.74Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H211 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H122 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O23 | C15 | 101.2° | 105.4° |
| O23 | C22 | O21 | 112.4° | 103.7° |
| O23 | C22 | H122 | 108.5° | 110.6° |
| O23 | C22 | H222 | 108.5° | 110.7° |
| O23 | C15 | C14 | 128.9° | 131.5° |
| O23 | C15 | C16 | 111.4° | 108.6° |
| C22 | O21 | C16 | 101.2° | 105.5° |
| O21 | C22 | H122 | 108.5° | 110.6° |
| O21 | C22 | H222 | 108.5° | 110.6° |
| C14 | C15 | C16 | 119.8° | 119.9° |
| C15 | C14 | C13 | 118.7° | 120.4° |
| C15 | C14 | H14 | 120.7° | 119.8° |
| C15 | C16 | O21 | 112.6° | 108.7° |
| C15 | C16 | C17 | 121.5° | 119.7° |
| O21 | C16 | C17 | 125.8° | 131.6° |
| C14 | C13 | C12 | 122.4° | 120.3° |
| C14 | C13 | H13 | 118.8° | 119.9° |
| C13 | C14 | H14 | 120.7° | 119.8° |
| C16 | C17 | C12 | 120.6° | 119.6° |
| C16 | C17 | C18 | 116.4° | 120.2° |
| C13 | C12 | C17 | 117.0° | 120.0° |
| C13 | C12 | C11 | 122.0° | 120.0° |
| C12 | C13 | H13 | 118.8° | 119.8° |
| C12 | C17 | C18 | 122.9° | 120.2° |
| C17 | C12 | C11 | 121.0° | 120.0° |
| C17 | C18 | O19 | 114.5° | 120.0° |
| C17 | C18 | O20 | 114.6° | 120.0° |
| O19 | C18 | O20 | 130.7° | 120.0° |
| C18 | O19 | HO19 | 109.5° | 117.0° |
| C12 | C11 | N10 | 115.0° | 109.5° |
| C12 | C11 | H111 | 107.7° | 109.5° |
| C12 | C11 | H211 | 107.7° | 109.5° |
| C11 | N10 | C8 | 128.3° | 123.8° |
| C11 | N10 | C4 | 121.6° | 123.9° |
| N10 | C11 | H111 | 107.6° | 109.4° |
| N10 | C11 | H211 | 107.7° | 109.5° |
| O9 | C8 | N10 | 126.4° | 126.5° |
| O9 | C8 | C7 | 124.9° | 126.4° |
| C8 | N10 | C4 | 109.7° | 112.3° |
| N10 | C8 | C7 | 108.6° | 107.1° |
| N10 | C4 | C3 | 126.5° | 130.8° |
| N10 | C4 | C5 | 110.1° | 110.2° |
| C8 | C7 | C5 | 101.5° | 104.1° |
| C8 | C7 | H17 | 112.2° | 110.5° |
| C8 | C7 | H27 | 112.2° | 110.6° |
| C4 | C3 | C2 | 117.3° | 120.1° |
| C3 | C4 | C5 | 123.3° | 119.0° |
| C4 | C3 | H3 | 121.3° | 120.0° |
| C3 | C2 | CL24 | 115.9° | 119.8° |
| C3 | C2 | C1 | 120.2° | 120.3° |
| C2 | C3 | H3 | 121.4° | 119.9° |
| C4 | C5 | C7 | 110.0° | 106.3° |
| C4 | C5 | C6 | 119.6° | 120.8° |
| CL24 | C2 | C1 | 123.9° | 119.8° |
| C2 | C1 | C6 | 121.6° | 119.8° |
| C2 | C1 | H1 | 119.2° | 120.1° |
| C7 | C5 | C6 | 130.4° | 132.9° |
| C5 | C7 | H17 | 112.2° | 110.5° |
| C5 | C7 | H27 | 112.2° | 110.5° |
| C5 | C6 | C1 | 117.9° | 120.0° |
| C5 | C6 | H6 | 121.0° | 120.0° |
| C6 | C1 | H1 | 119.2° | 120.1° |
| C1 | C6 | H6 | 121.0° | 120.0° |
| H17 | C7 | H27 | 106.6° | 110.4° |
| H111 | C11 | H211 | 111.2° | 109.4° |
| H122 | C22 | H222 | 110.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | O21 | H122 | 120.0° | 118.5° |
| O23 | C22 | O21 | H222 | 120.0° | 118.7° |
| C22 | O23 | C15 | C14 | 173.2° | 162.7° |
| C22 | O23 | C15 | C16 | 6.3° | 17.2° |
| O23 | C22 | O21 | C16 | 10.6° | 27.1° |
| O23 | C22 | H122 | H222 | 118.8° | 122.9° |
| C15 | O23 | C22 | O21 | 10.6° | 27.1° |
| O23 | C15 | C14 | C16 | 179.5° | 180.0° |
| O23 | C15 | C16 | O21 | 0.0° | 0.0° |
| O23 | C15 | C14 | C13 | 179.2° | 180.0° |
| O23 | C15 | C16 | C17 | 179.9° | 179.8° |
| O23 | C15 | C14 | H14 | 0.8° | 0.1° |
| C15 | O23 | C22 | H122 | 130.6° | 91.5° |
| C15 | O23 | C22 | H222 | 109.4° | 145.7° |
| C22 | O21 | C16 | C15 | 6.3° | 17.3° |
| C22 | O21 | C16 | C17 | 173.6° | 162.5° |
| O21 | C22 | H122 | H222 | 118.8° | 122.8° |
| C14 | C15 | C16 | O21 | 179.6° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.2° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | H13 | 179.4° | 180.0° |
| C15 | C16 | O21 | C17 | 179.9° | 179.8° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C16 | C17 | C12 | 0.5° | 0.5° |
| C15 | C16 | C17 | C18 | 178.5° | 180.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| O21 | C16 | C17 | C12 | 179.4° | 179.8° |
| O21 | C16 | C17 | C18 | 1.6° | 0.3° |
| C16 | O21 | C22 | H122 | 130.7° | 91.4° |
| C16 | O21 | C22 | H222 | 109.3° | 145.8° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.4° | 0.2° |
| C14 | C13 | C12 | C11 | 179.1° | 180.0° |
| C16 | C17 | C12 | C13 | 0.1° | 0.5° |
| C16 | C17 | C12 | C18 | 179.0° | 179.5° |
| C16 | C17 | C18 | O19 | 29.0° | 85.3° |
| C16 | C17 | C12 | C11 | 179.6° | 179.8° |
| C16 | C17 | C18 | O20 | 147.1° | 94.7° |
| C13 | C12 | C17 | C11 | 179.5° | 179.7° |
| C13 | C12 | C17 | C18 | 178.8° | 180.0° |
| C13 | C12 | C11 | N10 | 25.6° | 5.8° |
| C13 | C12 | C11 | H111 | 94.4° | 114.2° |
| C13 | C12 | C11 | H211 | 145.6° | 125.8° |
| C12 | C13 | C14 | H14 | 179.4° | 179.9° |
| C12 | C17 | C18 | O19 | 152.1° | 94.2° |
| C12 | C17 | C18 | O20 | 31.9° | 85.8° |
| C17 | C12 | C11 | N10 | 154.9° | 174.5° |
| C17 | C12 | C11 | H111 | 85.1° | 65.6° |
| C17 | C12 | C11 | H211 | 34.9° | 54.4° |
| C17 | C12 | C13 | H13 | 179.6° | 179.8° |
| C17 | C18 | O19 | O20 | 175.3° | 180.0° |
| C18 | C17 | C12 | C11 | 0.7° | 0.3° |
| C17 | C18 | O19 | HO19 | 175.3° | 180.0° |
| C12 | C11 | N10 | H111 | 120.0° | 120.0° |
| C12 | C11 | N10 | H211 | 120.0° | 120.0° |
| C12 | C11 | N10 | C8 | 89.7° | 85.7° |
| C12 | C11 | N10 | C4 | 98.7° | 94.2° |
| C12 | C11 | H111 | H211 | 117.7° | 120.0° |
| C11 | C12 | C13 | H13 | 0.9° | 0.0° |
| O20 | C18 | O19 | HO19 | 0.0° | 0.0° |
| C11 | N10 | C8 | O9 | 9.7° | 0.0° |
| C11 | N10 | C8 | C4 | 172.4° | 180.0° |
| C11 | N10 | C8 | C7 | 170.8° | 179.9° |
| C11 | N10 | C4 | C3 | 8.8° | 0.0° |
| C11 | N10 | C4 | C5 | 171.6° | 179.9° |
| N10 | C11 | H111 | H211 | 117.7° | 119.9° |
| O9 | C8 | N10 | C7 | 179.5° | 180.0° |
| O9 | C8 | N10 | C4 | 177.9° | 180.0° |
| O9 | C8 | C7 | C5 | 178.3° | 180.0° |
| O9 | C8 | C7 | H17 | 61.7° | 61.3° |
| O9 | C8 | C7 | H27 | 58.3° | 61.3° |
| C8 | N10 | C4 | C3 | 178.2° | 180.0° |
| C8 | N10 | C4 | C5 | 1.4° | 0.0° |
| N10 | C8 | C7 | C5 | 1.2° | 0.0° |
| N10 | C8 | C7 | H17 | 118.8° | 118.7° |
| N10 | C8 | C7 | H27 | 121.2° | 118.7° |
| C8 | N10 | C11 | H111 | 150.3° | 154.2° |
| C8 | N10 | C11 | H211 | 30.3° | 34.3° |
| C4 | N10 | C8 | C7 | 1.6° | 0.0° |
| N10 | C4 | C3 | C5 | 179.5° | 179.9° |
| N10 | C4 | C3 | C2 | 179.3° | 180.0° |
| N10 | C4 | C5 | C7 | 0.6° | 0.0° |
| N10 | C4 | C5 | C6 | 179.0° | 180.0° |
| N10 | C4 | C3 | H3 | 0.7° | 0.0° |
| C4 | N10 | C11 | H111 | 21.4° | 25.8° |
| C4 | N10 | C11 | H211 | 141.3° | 145.7° |
| C8 | C7 | C5 | C4 | 0.4° | 0.0° |
| C8 | C7 | C5 | H17 | 120.0° | 118.7° |
| C8 | C7 | C5 | H27 | 120.0° | 118.8° |
| C8 | C7 | C5 | C6 | 177.8° | 180.0° |
| C8 | C7 | H17 | H27 | 123.3° | 122.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | CL24 | 179.6° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C3 | C4 | C5 | C7 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | CL24 | C1 | 179.9° | 179.9° |
| C3 | C2 | C1 | C6 | 0.5° | 0.1° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C4 | C5 | C7 | C6 | 178.2° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.0° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.6° | 179.7° |
| C4 | C5 | C7 | H17 | 119.6° | 118.6° |
| C4 | C5 | C7 | H27 | 120.4° | 118.8° |
| CL24 | C2 | C1 | C6 | 179.4° | 180.0° |
| CL24 | C2 | C1 | H1 | 0.6° | 0.3° |
| CL24 | C2 | C3 | H3 | 0.4° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| C7 | C5 | C6 | C1 | 178.5° | 180.0° |
| C7 | C5 | C6 | H6 | 1.6° | 0.2° |
| C5 | C7 | H17 | H27 | 123.2° | 122.6° |
| C5 | C6 | C1 | H6 | 180.0° | 179.8° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C6 | C5 | C7 | H17 | 62.2° | 61.3° |
| C6 | C5 | C7 | H27 | 57.8° | 61.2° |
| H1 | C1 | C6 | H6 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.6° | 0.1° |
