OX1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.36Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | C6 | doub | 1.36Å | 1.42Å | Aromatic |
| C2 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | C6 | sing | 1.43Å | 1.46Å | Aromatic |
| C3 | C7 | sing | 1.52Å | 1.57Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.10Å | |
| C6 | C8 | sing | 1.52Å | 1.56Å | |
| C7 | C9 | sing | 1.53Å | 1.56Å | |
| C7 | O1 | sing | 1.44Å | 1.46Å | |
| C7 | C11 | sing | 1.52Å | 1.58Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | O2 | sing | 1.44Å | 1.46Å | |
| C8 | C14 | sing | 1.52Å | 1.57Å | |
| C9 | C17 | sing | 1.53Å | 1.53Å | |
| C9 | H12 | sing | 1.09Å | 1.11Å | |
| C9 | H13 | sing | 1.09Å | 1.11Å | |
| O1 | O2 | sing | 1.45Å | 1.63Å | |
| C10 | H5 | sing | 1.09Å | 1.12Å | |
| C10 | H6 | sing | 1.09Å | 1.11Å | |
| C10 | H7 | sing | 1.09Å | 1.11Å | |
| C11 | C13 | sing | 1.36Å | 1.43Å | Aromatic |
| C11 | C14 | doub | 1.39Å | 1.45Å | Aromatic |
| C12 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H9 | sing | 1.08Å | 1.10Å | |
| C13 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | H11 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.36Å | 1.42Å | Aromatic |
| C15 | H8 | sing | 1.08Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | H14 | sing | 1.09Å | 1.12Å | |
| C17 | H15 | sing | 1.09Å | 1.12Å | |
| C18 | O3 | sing | 1.34Å | 1.22Å | |
| C18 | O4 | doub | 1.21Å | 1.39Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C4 | 119.5° | 118.7° |
| C3 | C1 | H1 | 120.3° | 120.7° |
| C1 | C3 | C6 | 119.5° | 121.6° |
| C1 | C3 | C7 | 127.5° | 125.9° |
| C4 | C1 | H1 | 120.2° | 120.6° |
| C1 | C4 | C5 | 120.7° | 120.5° |
| C1 | C4 | H2 | 119.9° | 119.8° |
| C5 | C2 | C6 | 119.6° | 120.3° |
| C5 | C2 | H4 | 120.4° | 120.7° |
| C2 | C5 | C4 | 120.7° | 120.5° |
| C2 | C5 | H3 | 119.9° | 119.7° |
| C6 | C2 | H4 | 120.1° | 119.0° |
| C2 | C6 | C3 | 119.9° | 118.4° |
| C2 | C6 | C8 | 126.9° | 129.1° |
| C6 | C3 | C7 | 113.0° | 112.5° |
| C3 | C6 | C8 | 113.2° | 112.5° |
| C3 | C7 | C9 | 112.7° | 113.1° |
| C3 | C7 | O1 | 104.6° | 105.3° |
| C3 | C7 | C11 | 109.8° | 106.3° |
| C5 | C4 | H2 | 119.3° | 119.8° |
| C4 | C5 | H3 | 119.4° | 119.7° |
| C6 | C8 | C10 | 113.7° | 113.1° |
| C6 | C8 | O2 | 104.9° | 105.3° |
| C6 | C8 | C14 | 109.7° | 106.2° |
| C9 | C7 | O1 | 110.2° | 113.0° |
| C9 | C7 | C11 | 114.5° | 113.1° |
| C7 | C9 | C17 | 116.1° | 109.5° |
| C7 | C9 | H12 | 109.8° | 109.4° |
| C7 | C9 | H13 | 109.8° | 109.5° |
| O1 | C7 | C11 | 104.3° | 105.3° |
| C7 | O1 | O2 | 111.3° | 113.5° |
| C7 | C11 | C13 | 128.1° | 125.9° |
| C7 | C11 | C14 | 112.9° | 113.3° |
| C10 | C8 | O2 | 110.0° | 113.1° |
| C10 | C8 | C14 | 113.4° | 113.1° |
| C8 | C10 | H5 | 113.7° | 109.4° |
| C8 | C10 | H6 | 110.7° | 109.5° |
| C8 | C10 | H7 | 110.7° | 109.5° |
| O2 | C8 | C14 | 104.3° | 105.4° |
| C8 | O2 | O1 | 111.1° | 113.5° |
| C8 | C14 | C11 | 113.2° | 113.3° |
| C8 | C14 | C15 | 126.9° | 125.8° |
| C17 | C9 | H12 | 109.7° | 109.5° |
| C17 | C9 | H13 | 109.7° | 109.5° |
| C9 | C17 | C18 | 110.8° | 109.5° |
| C9 | C17 | H14 | 111.7° | 109.5° |
| C9 | C17 | H15 | 111.7° | 109.5° |
| H12 | C9 | H13 | 100.5° | 109.4° |
| H5 | C10 | H6 | 110.7° | 109.5° |
| H5 | C10 | H7 | 110.6° | 109.5° |
| H6 | C10 | H7 | 99.7° | 109.5° |
| C13 | C11 | C14 | 119.0° | 120.8° |
| C11 | C13 | C16 | 120.3° | 118.6° |
| C11 | C13 | H11 | 120.4° | 120.7° |
| C11 | C14 | C15 | 119.9° | 120.9° |
| C15 | C12 | C16 | 120.4° | 120.5° |
| C15 | C12 | H9 | 120.0° | 119.8° |
| C12 | C15 | C14 | 119.9° | 118.6° |
| C12 | C15 | H8 | 120.0° | 120.6° |
| C16 | C12 | H9 | 119.6° | 119.8° |
| C12 | C16 | C13 | 120.5° | 120.5° |
| C12 | C16 | H10 | 119.7° | 119.7° |
| C16 | C13 | H11 | 119.4° | 120.7° |
| C13 | C16 | H10 | 119.8° | 119.8° |
| C14 | C15 | H8 | 120.1° | 120.7° |
| C18 | C17 | H14 | 111.7° | 109.5° |
| C18 | C17 | H15 | 111.7° | 109.4° |
| C17 | C18 | O3 | 126.2° | 120.0° |
| C17 | C18 | O4 | 122.2° | 120.0° |
| H14 | C17 | H15 | 98.6° | 109.5° |
| O3 | C18 | O4 | 111.6° | 119.9° |
| C18 | O3 | H16 | 126.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C4 | H1 | 180.0° | 180.0° |
| C1 | C3 | C6 | C2 | 0.1° | 1.0° |
| C1 | C3 | C6 | C7 | 178.9° | 179.6° |
| C3 | C1 | C4 | C5 | 0.1° | 0.0° |
| C3 | C1 | C4 | H2 | 180.0° | 179.9° |
| C1 | C3 | C6 | C8 | 178.8° | 179.6° |
| C1 | C3 | C7 | C9 | 0.1° | 0.6° |
| C1 | C3 | C7 | O1 | 119.9° | 124.5° |
| C1 | C3 | C7 | C11 | 128.8° | 124.1° |
| C1 | C4 | C5 | C2 | 0.0° | 0.0° |
| C4 | C1 | C3 | C6 | 0.1° | 0.5° |
| C4 | C1 | C3 | C7 | 178.8° | 180.0° |
| C1 | C4 | C5 | H2 | 180.0° | 180.0° |
| C1 | C4 | C5 | H3 | 179.9° | 180.0° |
| H1 | C1 | C3 | C6 | 179.9° | 179.5° |
| H1 | C1 | C3 | C7 | 1.1° | 0.0° |
| H1 | C1 | C4 | C5 | 179.9° | 180.0° |
| H1 | C1 | C4 | H2 | 0.1° | 0.0° |
| C5 | C2 | C6 | H4 | 179.9° | 179.5° |
| C5 | C2 | C6 | C3 | 0.1° | 1.0° |
| C2 | C5 | C4 | H3 | 179.9° | 180.0° |
| C2 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C2 | C6 | C8 | 178.7° | 179.7° |
| C2 | C6 | C3 | C8 | 178.9° | 179.4° |
| C2 | C6 | C3 | C7 | 179.0° | 179.4° |
| C6 | C2 | C5 | C4 | 0.0° | 0.5° |
| C6 | C2 | C5 | H3 | 179.9° | 179.5° |
| C2 | C6 | C8 | C10 | 0.0° | 0.5° |
| C2 | C6 | C8 | O2 | 120.3° | 123.4° |
| C2 | C6 | C8 | C14 | 128.2° | 125.1° |
| H4 | C2 | C6 | C3 | 180.0° | 179.5° |
| H4 | C2 | C5 | C4 | 180.0° | 180.0° |
| H4 | C2 | C5 | H3 | 0.0° | 0.0° |
| H4 | C2 | C6 | C8 | 1.3° | 0.2° |
| C6 | C3 | C7 | C9 | 178.7° | 179.8° |
| C6 | C3 | C7 | O1 | 58.9° | 56.0° |
| C6 | C3 | C7 | C11 | 52.4° | 55.5° |
| C3 | C6 | C8 | C10 | 178.8° | 179.8° |
| C3 | C6 | C8 | O2 | 58.5° | 55.9° |
| C3 | C6 | C8 | C14 | 53.0° | 55.6° |
| C7 | C3 | C6 | C8 | 0.1° | 0.0° |
| C3 | C7 | C9 | O1 | 116.4° | 119.5° |
| C3 | C7 | C9 | C11 | 126.4° | 120.9° |
| C3 | C7 | O1 | C11 | 115.3° | 112.2° |
| C3 | C7 | C9 | C17 | 164.5° | 64.3° |
| C3 | C7 | C9 | H12 | 39.3° | 55.7° |
| C3 | C7 | C9 | H13 | 70.3° | 175.6° |
| C3 | C7 | O1 | O2 | 57.9° | 56.6° |
| C3 | C7 | C11 | C13 | 128.5° | 124.1° |
| C3 | C7 | C11 | C14 | 52.3° | 55.9° |
| H2 | C4 | C5 | H3 | 0.1° | 0.1° |
| C6 | C8 | C10 | O2 | 117.3° | 119.5° |
| C6 | C8 | C10 | C14 | 126.3° | 120.8° |
| C6 | C8 | O2 | C14 | 115.4° | 112.1° |
| C6 | C8 | O2 | O1 | 57.1° | 56.5° |
| C6 | C8 | C10 | H5 | 180.0° | 179.6° |
| C6 | C8 | C10 | H6 | 54.8° | 60.4° |
| C6 | C8 | C10 | H7 | 54.8° | 59.6° |
| C6 | C8 | C14 | C11 | 53.2° | 56.1° |
| C6 | C8 | C14 | C15 | 127.9° | 124.2° |
| C9 | C7 | O1 | C11 | 123.3° | 123.9° |
| C7 | C9 | C17 | H12 | 125.3° | 120.0° |
| C7 | C9 | C17 | H13 | 125.3° | 120.1° |
| C7 | C9 | H12 | H13 | 115.6° | 120.0° |
| C9 | C7 | O1 | O2 | 179.3° | 179.5° |
| C9 | C7 | C11 | C13 | 0.6° | 0.6° |
| C9 | C7 | C11 | C14 | 179.8° | 179.4° |
| C7 | C9 | C17 | C18 | 152.2° | 176.1° |
| C7 | C9 | C17 | H14 | 26.9° | 56.1° |
| C7 | C9 | C17 | H15 | 82.5° | 63.9° |
| C7 | O1 | O2 | C8 | 0.6° | 0.0° |
| O1 | C7 | C9 | C17 | 48.1° | 55.2° |
| O1 | C7 | C9 | H12 | 77.1° | 175.2° |
| O1 | C7 | C9 | H13 | 173.3° | 64.9° |
| O1 | C7 | C11 | C13 | 119.9° | 124.5° |
| O1 | C7 | C11 | C14 | 59.3° | 55.6° |
| C7 | C11 | C14 | C8 | 0.5° | 0.2° |
| C11 | C7 | C9 | C17 | 69.1° | 174.8° |
| C11 | C7 | C9 | H12 | 165.7° | 65.2° |
| C11 | C7 | C9 | H13 | 56.1° | 54.7° |
| C11 | C7 | O1 | O2 | 57.4° | 55.6° |
| C7 | C11 | C13 | C14 | 179.2° | 179.9° |
| C7 | C11 | C13 | C16 | 179.2° | 179.9° |
| C7 | C11 | C13 | H11 | 0.7° | 0.0° |
| C7 | C11 | C14 | C15 | 179.5° | 179.9° |
| C10 | C8 | O2 | C14 | 122.0° | 124.0° |
| C10 | C8 | O2 | O1 | 179.8° | 179.6° |
| C8 | C10 | H5 | H6 | 125.3° | 120.0° |
| C8 | C10 | H5 | H7 | 125.2° | 120.0° |
| C8 | C10 | H6 | H7 | 116.6° | 120.0° |
| C10 | C8 | C14 | C11 | 178.5° | 179.3° |
| C10 | C8 | C14 | C15 | 0.4° | 0.4° |
| O2 | C8 | C10 | H5 | 62.6° | 60.0° |
| O2 | C8 | C10 | H6 | 172.1° | 180.0° |
| O2 | C8 | C10 | H7 | 62.6° | 59.9° |
| O2 | C8 | C14 | C11 | 58.8° | 55.3° |
| O2 | C8 | C14 | C15 | 120.1° | 124.4° |
| C14 | C8 | O2 | O1 | 58.3° | 55.5° |
| C14 | C8 | C10 | H5 | 53.7° | 59.7° |
| C14 | C8 | C10 | H6 | 71.5° | 60.3° |
| C14 | C8 | C10 | H7 | 178.9° | 179.6° |
| C8 | C14 | C11 | C13 | 178.8° | 179.9° |
| C8 | C14 | C11 | C15 | 179.0° | 179.7° |
| C8 | C14 | C15 | C12 | 178.7° | 179.9° |
| C8 | C14 | C15 | H8 | 1.2° | 0.3° |
| C17 | C9 | H12 | H13 | 115.5° | 120.0° |
| C9 | C17 | C18 | H14 | 125.3° | 120.0° |
| C9 | C17 | C18 | H15 | 125.3° | 120.0° |
| C9 | C17 | H14 | H15 | 117.6° | 120.1° |
| C9 | C17 | C18 | O3 | 179.7° | 179.9° |
| C9 | C17 | C18 | O4 | 0.8° | 0.0° |
| H12 | C9 | C17 | C18 | 82.5° | 63.9° |
| H12 | C9 | C17 | H14 | 152.2° | 176.1° |
| H12 | C9 | C17 | H15 | 42.7° | 56.1° |
| H13 | C9 | C17 | C18 | 27.0° | 56.0° |
| H13 | C9 | C17 | H14 | 98.3° | 64.0° |
| H13 | C9 | C17 | H15 | 152.2° | 176.0° |
| H5 | C10 | H6 | H7 | 116.5° | 120.0° |
| C11 | C13 | C16 | C12 | 0.2° | 0.0° |
| C11 | C13 | C16 | H11 | 179.9° | 179.9° |
| C13 | C11 | C14 | C15 | 0.2° | 0.1° |
| C11 | C13 | C16 | H10 | 179.8° | 180.0° |
| C11 | C14 | C15 | C12 | 0.1° | 0.2° |
| C14 | C11 | C13 | C16 | 0.0° | 0.0° |
| C14 | C11 | C13 | H11 | 179.9° | 179.9° |
| C11 | C14 | C15 | H8 | 179.9° | 180.0° |
| C15 | C12 | C16 | H9 | 180.0° | 179.9° |
| C15 | C12 | C16 | C13 | 0.2° | 0.0° |
| C12 | C15 | C14 | H8 | 179.9° | 179.8° |
| C15 | C12 | C16 | H10 | 179.7° | 179.9° |
| C12 | C16 | C13 | H10 | 180.0° | 179.9° |
| C12 | C16 | C13 | H11 | 179.9° | 180.0° |
| C16 | C12 | C15 | C14 | 0.1° | 0.2° |
| C16 | C12 | C15 | H8 | 179.9° | 180.0° |
| H9 | C12 | C16 | C13 | 179.8° | 179.9° |
| H9 | C12 | C15 | C14 | 180.0° | 179.9° |
| H9 | C12 | C15 | H8 | 0.1° | 0.1° |
| H9 | C12 | C16 | H10 | 0.2° | 0.0° |
| H11 | C13 | C16 | H10 | 0.1° | 0.1° |
| C18 | C17 | H14 | H15 | 117.6° | 119.9° |
| C17 | C18 | O3 | O4 | 179.5° | 179.9° |
| C17 | C18 | O3 | H16 | 180.0° | 180.0° |
| H14 | C17 | C18 | O3 | 54.4° | 59.9° |
| H14 | C17 | C18 | O4 | 126.1° | 120.0° |
| H15 | C17 | C18 | O3 | 55.0° | 60.1° |
| H15 | C17 | C18 | O4 | 124.5° | 120.1° |
| O4 | C18 | O3 | H16 | 0.5° | 0.2° |
