9CX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | O5 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.42Å | |
| O5 | C11 | sing | 1.43Å | 1.48Å | |
| C15 | C11 | sing | 1.53Å | 1.58Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.40Å | |
| C7 | O3 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| O3 | C8 | sing | 1.36Å | 1.38Å | |
| O2 | C3 | sing | 1.36Å | 1.34Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.48Å | |
| C9 | C1 | doub | 1.40Å | 1.44Å | Aromatic |
| C8 | O4 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.35Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C12 | C13 | 106.0° | 109.5° |
| C16 | C12 | O5 | 109.1° | 109.5° |
| C16 | C12 | H11 | 109.7° | 109.5° |
| C12 | C16 | H12 | 109.5° | 109.5° |
| C12 | C16 | H13 | 109.5° | 109.4° |
| C12 | C16 | H14 | 109.4° | 109.5° |
| C12 | C13 | C14 | 113.5° | 109.2° |
| C13 | C12 | O5 | 111.6° | 109.4° |
| C12 | C13 | H9 | 108.4° | 109.5° |
| C12 | C13 | H10 | 108.4° | 109.5° |
| C13 | C12 | H11 | 109.6° | 109.5° |
| C13 | C14 | C15 | 105.0° | 109.1° |
| C13 | C14 | H7 | 110.6° | 109.6° |
| C13 | C14 | H8 | 110.6° | 109.6° |
| C14 | C13 | H9 | 108.4° | 109.5° |
| C14 | C13 | H10 | 108.5° | 109.5° |
| C12 | O5 | C11 | 114.3° | 114.1° |
| O5 | C12 | H11 | 110.7° | 109.5° |
| C14 | C15 | C11 | 109.2° | 109.1° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.6° |
| C15 | C14 | H7 | 110.5° | 109.5° |
| C15 | C14 | H8 | 110.5° | 109.5° |
| O5 | C11 | C15 | 115.3° | 109.4° |
| O5 | C11 | C10 | 114.2° | 109.5° |
| O5 | C11 | H15 | 106.4° | 109.5° |
| C15 | C11 | C10 | 109.0° | 109.5° |
| C11 | C15 | H5 | 109.5° | 109.5° |
| C11 | C15 | H6 | 109.5° | 109.5° |
| C15 | C11 | H15 | 105.4° | 109.4° |
| C11 | C10 | C7 | 108.4° | 109.5° |
| C10 | C11 | H15 | 105.8° | 109.5° |
| C11 | C10 | H16 | 109.7° | 109.5° |
| C11 | C10 | H17 | 109.7° | 109.5° |
| C10 | C7 | C6 | 108.6° | 109.5° |
| C10 | C7 | O3 | 108.3° | 109.7° |
| C7 | C10 | H16 | 109.7° | 109.5° |
| C7 | C10 | H17 | 109.7° | 109.5° |
| C10 | C7 | H18 | 109.3° | 109.6° |
| C7 | C6 | C5 | 109.7° | 110.4° |
| C6 | C7 | O3 | 111.3° | 109.2° |
| C7 | C6 | H1 | 109.4° | 109.3° |
| C7 | C6 | H2 | 109.4° | 109.4° |
| C6 | C7 | H18 | 109.2° | 109.5° |
| C6 | C5 | C4 | 114.7° | 119.8° |
| C6 | C5 | C9 | 123.1° | 120.5° |
| C5 | C6 | H1 | 109.4° | 109.5° |
| C5 | C6 | H2 | 109.4° | 109.0° |
| C7 | O3 | C8 | 123.0° | 114.5° |
| O3 | C7 | H18 | 110.1° | 109.3° |
| C5 | C4 | C3 | 122.0° | 120.4° |
| C4 | C5 | C9 | 122.2° | 119.7° |
| C5 | C4 | H4 | 119.0° | 119.8° |
| C4 | C3 | O2 | 118.0° | 119.8° |
| C4 | C3 | C2 | 118.7° | 120.5° |
| C3 | C4 | H4 | 119.0° | 119.8° |
| C5 | C9 | C8 | 117.1° | 119.5° |
| C5 | C9 | C1 | 113.7° | 120.2° |
| O3 | C8 | C9 | 115.8° | 117.1° |
| O3 | C8 | O4 | 117.1° | 121.5° |
| O2 | C3 | C2 | 123.3° | 119.8° |
| C3 | O2 | H19 | 109.5° | 114.0° |
| C3 | C2 | C1 | 120.6° | 119.8° |
| C3 | C2 | H3 | 119.7° | 120.1° |
| C8 | C9 | C1 | 129.2° | 120.3° |
| C9 | C8 | O4 | 127.1° | 121.4° |
| C9 | C1 | C2 | 122.8° | 119.5° |
| C9 | C1 | O1 | 121.7° | 120.3° |
| C2 | C1 | O1 | 115.5° | 120.2° |
| C1 | C2 | H3 | 119.7° | 120.1° |
| C1 | O1 | H20 | 109.5° | 114.0° |
| H1 | C6 | H2 | 109.4° | 109.2° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.6° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C12 | C13 | O5 | 118.7° | 120.0° |
| C16 | C12 | C13 | H11 | 118.3° | 120.0° |
| C16 | C12 | C13 | C14 | 173.7° | 62.4° |
| C16 | C12 | O5 | H11 | 120.8° | 120.1° |
| C16 | C12 | O5 | C11 | 157.9° | 58.8° |
| C16 | C12 | C13 | H9 | 65.7° | 57.5° |
| C16 | C12 | C13 | H10 | 53.1° | 177.7° |
| C12 | C16 | H12 | H13 | 120.0° | 120.0° |
| C12 | C16 | H12 | H14 | 120.0° | 120.0° |
| C12 | C16 | H13 | H14 | 119.9° | 120.0° |
| C12 | C13 | C14 | H9 | 120.6° | 119.9° |
| C12 | C13 | C14 | H10 | 120.6° | 119.9° |
| C13 | C12 | O5 | H11 | 122.4° | 120.0° |
| C12 | C13 | C14 | C15 | 66.4° | 57.0° |
| C13 | C12 | O5 | C11 | 41.1° | 61.2° |
| C12 | C13 | C14 | H7 | 52.8° | 62.9° |
| C12 | C13 | C14 | H8 | 174.3° | 176.9° |
| C12 | C13 | H9 | H10 | 118.1° | 120.2° |
| C13 | C12 | C16 | H12 | 180.0° | 60.0° |
| C13 | C12 | C16 | H13 | 60.0° | 180.0° |
| C13 | C12 | C16 | H14 | 60.0° | 60.0° |
| C14 | C13 | C12 | O5 | 55.0° | 57.6° |
| C13 | C14 | C15 | H7 | 119.3° | 119.9° |
| C13 | C14 | C15 | H8 | 119.3° | 120.0° |
| C13 | C14 | C15 | C11 | 61.7° | 57.0° |
| C13 | C14 | C15 | H5 | 178.3° | 62.9° |
| C13 | C14 | C15 | H6 | 58.2° | 176.9° |
| C13 | C14 | H7 | H8 | 122.1° | 120.3° |
| C14 | C13 | H9 | H10 | 118.2° | 120.1° |
| C14 | C13 | C12 | H11 | 68.0° | 177.6° |
| C12 | O5 | C11 | C15 | 41.1° | 61.2° |
| C12 | O5 | C11 | C10 | 86.2° | 178.8° |
| O5 | C12 | C13 | H9 | 175.6° | 177.5° |
| O5 | C12 | C13 | H10 | 65.6° | 62.3° |
| O5 | C12 | C16 | H12 | 59.7° | 179.9° |
| O5 | C12 | C16 | H13 | 60.3° | 60.1° |
| O5 | C12 | C16 | H14 | 179.7° | 59.9° |
| C12 | O5 | C11 | H15 | 157.5° | 58.7° |
| C14 | C15 | C11 | O5 | 53.4° | 57.6° |
| C14 | C15 | C11 | H5 | 120.0° | 119.9° |
| C14 | C15 | C11 | H6 | 119.9° | 120.0° |
| C14 | C15 | C11 | C10 | 76.5° | 177.5° |
| C14 | C15 | H5 | H6 | 120.1° | 120.2° |
| C15 | C14 | H7 | H8 | 122.0° | 120.1° |
| C15 | C14 | C13 | H9 | 173.0° | 176.9° |
| C15 | C14 | C13 | H10 | 54.2° | 62.9° |
| C14 | C15 | C11 | H15 | 170.3° | 62.4° |
| O5 | C11 | C15 | C10 | 129.9° | 119.9° |
| O5 | C11 | C15 | H15 | 117.0° | 120.0° |
| O5 | C11 | C10 | H15 | 116.6° | 120.1° |
| O5 | C11 | C10 | C7 | 82.8° | 65.1° |
| O5 | C11 | C15 | H5 | 173.3° | 62.3° |
| O5 | C11 | C15 | H6 | 66.6° | 177.6° |
| C11 | O5 | C12 | H11 | 81.3° | 178.8° |
| O5 | C11 | C10 | H16 | 37.0° | 54.9° |
| O5 | C11 | C10 | H17 | 157.3° | 174.9° |
| C15 | C11 | C10 | H15 | 112.9° | 120.0° |
| C15 | C11 | C10 | C7 | 146.6° | 175.0° |
| C11 | C15 | H5 | H6 | 120.1° | 120.1° |
| C11 | C15 | C14 | H7 | 57.6° | 62.9° |
| C11 | C15 | C14 | H8 | 179.0° | 177.0° |
| C15 | C11 | C10 | H16 | 93.5° | 65.0° |
| C15 | C11 | C10 | H17 | 26.8° | 55.0° |
| C11 | C10 | C7 | H16 | 119.8° | 120.0° |
| C11 | C10 | C7 | H17 | 119.8° | 120.0° |
| C11 | C10 | C7 | C6 | 93.1° | 175.0° |
| C11 | C10 | C7 | O3 | 27.9° | 65.2° |
| C10 | C11 | C15 | H5 | 43.4° | 57.7° |
| C10 | C11 | C15 | H6 | 163.5° | 62.5° |
| C11 | C10 | H16 | H17 | 120.5° | 120.0° |
| C11 | C10 | C7 | H18 | 147.8° | 54.9° |
| C10 | C7 | C6 | O3 | 119.1° | 120.2° |
| C10 | C7 | C6 | H18 | 119.1° | 120.2° |
| C10 | C7 | C6 | C5 | 168.6° | 169.7° |
| C10 | C7 | O3 | H18 | 119.4° | 120.2° |
| C10 | C7 | O3 | C8 | 151.8° | 177.2° |
| C10 | C7 | C6 | H1 | 48.6° | 69.8° |
| C10 | C7 | C6 | H2 | 71.3° | 49.7° |
| C7 | C10 | C11 | H15 | 33.8° | 55.0° |
| C7 | C10 | H16 | H17 | 120.5° | 120.0° |
| C7 | C6 | C5 | H1 | 120.0° | 120.4° |
| C7 | C6 | C5 | H2 | 120.1° | 120.2° |
| C6 | C7 | O3 | H18 | 121.3° | 119.8° |
| C7 | C6 | C5 | C4 | 144.4° | 159.2° |
| C7 | C6 | C5 | C9 | 36.3° | 20.9° |
| C6 | C7 | O3 | C8 | 32.5° | 62.7° |
| C7 | C6 | H1 | H2 | 119.9° | 119.6° |
| C6 | C7 | C10 | H16 | 26.7° | 65.0° |
| C6 | C7 | C10 | H17 | 147.1° | 55.0° |
| C5 | C6 | C7 | O3 | 49.6° | 49.5° |
| C6 | C5 | C4 | C9 | 179.3° | 179.9° |
| C6 | C5 | C4 | C3 | 179.5° | 179.8° |
| C6 | C5 | C9 | C8 | 1.7° | 0.3° |
| C6 | C5 | C9 | C1 | 180.0° | 179.7° |
| C5 | C6 | H1 | H2 | 119.9° | 119.3° |
| C6 | C5 | C4 | H4 | 0.5° | 0.2° |
| C5 | C6 | C7 | H18 | 72.3° | 70.2° |
| C7 | O3 | C8 | C9 | 2.4° | 42.1° |
| C7 | O3 | C8 | O4 | 179.9° | 138.1° |
| O3 | C7 | C6 | H1 | 70.5° | 170.0° |
| O3 | C7 | C6 | H2 | 169.6° | 70.5° |
| O3 | C7 | C10 | H16 | 147.7° | 54.9° |
| O3 | C7 | C10 | H17 | 92.0° | 174.9° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | O2 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C4 | C5 | C9 | C8 | 179.0° | 179.8° |
| C4 | C5 | C9 | C1 | 0.7° | 0.2° |
| C4 | C5 | C6 | H1 | 95.6° | 38.8° |
| C4 | C5 | C6 | H2 | 24.3° | 80.6° |
| C3 | C4 | C5 | C9 | 1.2° | 0.1° |
| C4 | C3 | O2 | C2 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | H3 | 179.6° | 179.9° |
| C4 | C3 | O2 | H19 | 180.0° | 90.0° |
| C5 | C9 | C8 | O3 | 19.4° | 9.9° |
| C5 | C9 | C8 | C1 | 178.0° | 180.0° |
| C5 | C9 | C8 | O4 | 163.2° | 170.3° |
| C5 | C9 | C1 | C2 | 0.3° | 0.2° |
| C5 | C9 | C1 | O1 | 179.1° | 179.8° |
| C9 | C5 | C6 | H1 | 83.7° | 141.4° |
| C9 | C5 | C6 | H2 | 156.4° | 99.3° |
| C9 | C5 | C4 | H4 | 178.8° | 179.9° |
| O3 | C8 | C9 | O4 | 177.4° | 179.8° |
| O3 | C8 | C9 | C1 | 158.6° | 170.1° |
| C8 | O3 | C7 | H18 | 88.7° | 57.0° |
| O2 | C3 | C2 | C1 | 179.4° | 180.0° |
| O2 | C3 | C2 | H3 | 0.6° | 0.0° |
| O2 | C3 | C4 | H4 | 0.5° | 0.0° |
| C3 | C2 | C1 | C9 | 0.9° | 0.1° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 179.8° | 180.0° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C2 | C3 | O2 | H19 | 0.1° | 90.1° |
| C8 | C9 | C1 | C2 | 177.8° | 179.8° |
| C8 | C9 | C1 | O1 | 1.0° | 0.2° |
| C1 | C9 | C8 | O4 | 18.8° | 9.7° |
| C9 | C1 | C2 | O1 | 178.9° | 180.0° |
| C9 | C1 | C2 | H3 | 179.1° | 179.9° |
| C9 | C1 | O1 | H20 | 180.0° | 90.0° |
| C2 | C1 | O1 | H20 | 1.1° | 90.0° |
| O1 | C1 | C2 | H3 | 0.2° | 0.0° |
| H1 | C6 | C7 | H18 | 167.7° | 50.4° |
| H2 | C6 | C7 | H18 | 47.8° | 169.9° |
| H5 | C15 | C14 | H7 | 62.4° | 177.2° |
| H5 | C15 | C14 | H8 | 59.0° | 57.1° |
| H5 | C15 | C11 | H15 | 69.7° | 177.7° |
| H6 | C15 | C14 | H7 | 177.5° | 57.0° |
| H6 | C15 | C14 | H8 | 61.1° | 63.1° |
| H6 | C15 | C11 | H15 | 50.4° | 57.6° |
| H7 | C14 | C13 | H9 | 67.7° | 57.0° |
| H7 | C14 | C13 | H10 | 173.4° | 177.2° |
| H8 | C14 | C13 | H9 | 53.7° | 63.1° |
| H8 | C14 | C13 | H10 | 65.1° | 57.0° |
| H9 | C13 | C12 | H11 | 52.6° | 62.5° |
| H10 | C13 | C12 | H11 | 171.4° | 57.7° |
| H11 | C12 | C16 | H12 | 61.7° | 60.0° |
| H11 | C12 | C16 | H13 | 178.2° | 60.0° |
| H11 | C12 | C16 | H14 | 58.3° | 180.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H15 | C11 | C10 | H16 | 153.6° | 175.0° |
| H15 | C11 | C10 | H17 | 86.1° | 65.0° |
| H16 | C10 | C7 | H18 | 92.4° | 174.9° |
| H17 | C10 | C7 | H18 | 28.0° | 65.1° |
