HO2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | O21 | sing | 1.43Å | 1.43Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | doub | 1.33Å | 1.39Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.47Å | 1.39Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | C10 | doub | 1.33Å | 1.39Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | C09 | sing | 1.51Å | 1.39Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| O20 | C01 | doub | 1.21Å | 1.25Å | |
| C01 | O19 | sing | 1.34Å | 1.25Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.5° | 109.5° |
| C18 | C17 | C16 | 111.4° | 109.5° |
| C18 | C17 | H17 | 108.8° | 109.4° |
| C18 | C17 | H17A | 108.4° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| C16 | C17 | H17 | 108.8° | 109.5° |
| C16 | C17 | H17A | 108.4° | 109.5° |
| C17 | C16 | C15 | 111.0° | 109.5° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H16A | 108.6° | 109.5° |
| H17 | C17 | H17A | 111.0° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.4° |
| C15 | C16 | H16A | 108.6° | 109.4° |
| C16 | C15 | C14 | 111.3° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.4° | 109.5° |
| H16 | C16 | H16A | 110.7° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.5° |
| C14 | C15 | H15A | 108.4° | 109.4° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.4° |
| C15 | C14 | H14A | 108.5° | 109.5° |
| H15 | C15 | H15A | 110.9° | 109.4° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H14A | 108.5° | 109.5° |
| C14 | C13 | C12 | 109.2° | 109.5° |
| C14 | C13 | O21 | 110.4° | 109.5° |
| C14 | C13 | H13 | 108.9° | 109.5° |
| H14 | C14 | H14A | 110.9° | 109.5° |
| C12 | C13 | O21 | 109.2° | 109.5° |
| C12 | C13 | H13 | 110.2° | 109.4° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| O21 | C13 | H13 | 108.9° | 109.5° |
| C13 | O21 | HO21 | 109.5° | 114.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C12 | C11 | H11 | 120.1° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.2° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C09 | C10 | H10 | 119.9° | 120.0° |
| C10 | C09 | C08 | 120.3° | 120.0° |
| C10 | C09 | H09 | 119.8° | 120.0° |
| C08 | C09 | H09 | 119.8° | 120.0° |
| C09 | C08 | C07 | 110.6° | 109.5° |
| C09 | C08 | H08 | 109.1° | 109.6° |
| C09 | C08 | H08A | 108.9° | 109.5° |
| C07 | C08 | H08 | 109.1° | 109.4° |
| C07 | C08 | H08A | 108.9° | 109.4° |
| C08 | C07 | C06 | 111.3° | 109.5° |
| C08 | C07 | H07 | 108.9° | 109.5° |
| C08 | C07 | H07A | 108.5° | 109.4° |
| H08 | C08 | H08A | 110.3° | 109.5° |
| C06 | C07 | H07 | 108.9° | 109.4° |
| C06 | C07 | H07A | 108.4° | 109.5° |
| C07 | C06 | C05 | 109.8° | 109.5° |
| C07 | C06 | H06 | 109.3° | 109.5° |
| C07 | C06 | H06A | 109.3° | 109.4° |
| H07 | C07 | H07A | 110.9° | 109.5° |
| C05 | C06 | H06 | 109.4° | 109.5° |
| C05 | C06 | H06A | 109.3° | 109.5° |
| C06 | C05 | C04 | 113.0° | 109.5° |
| C06 | C05 | H05 | 108.3° | 109.5° |
| C06 | C05 | H05A | 107.5° | 109.4° |
| H06 | C06 | H06A | 109.8° | 109.4° |
| C04 | C05 | H05 | 108.3° | 109.5° |
| C04 | C05 | H05A | 107.5° | 109.5° |
| C05 | C04 | C03 | 112.4° | 109.5° |
| C05 | C04 | H04 | 108.5° | 109.5° |
| C05 | C04 | H04A | 107.8° | 109.4° |
| H05 | C05 | H05A | 112.3° | 109.4° |
| C03 | C04 | H04 | 108.5° | 109.5° |
| C03 | C04 | H04A | 107.8° | 109.5° |
| C04 | C03 | C02 | 111.9° | 109.5° |
| C04 | C03 | H03 | 108.7° | 109.5° |
| C04 | C03 | H03A | 108.1° | 109.5° |
| H04 | C04 | H04A | 111.8° | 109.5° |
| C02 | C03 | H03 | 108.7° | 109.4° |
| C02 | C03 | H03A | 108.1° | 109.5° |
| C03 | C02 | C01 | 110.4° | 109.5° |
| C03 | C02 | H02 | 109.1° | 109.4° |
| C03 | C02 | H02A | 109.0° | 109.5° |
| H03 | C03 | H03A | 111.4° | 109.5° |
| C01 | C02 | H02 | 109.2° | 109.5° |
| C01 | C02 | H02A | 109.0° | 109.5° |
| C02 | C01 | O20 | 117.3° | 120.0° |
| C02 | C01 | O19 | 116.4° | 120.0° |
| H02 | C02 | H02A | 110.2° | 109.5° |
| O20 | C01 | O19 | 126.2° | 120.0° |
| C01 | O19 | HO19 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | H18 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18B | 120.0° | 120.0° |
| C17 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C17 | C16 | H17 | 120.0° | 120.0° |
| C18 | C17 | C16 | H17A | 119.2° | 120.0° |
| C18 | C17 | H17 | H17A | 119.2° | 120.0° |
| C18 | C17 | C16 | C15 | 173.9° | NaN° |
| C18 | C17 | C16 | H16 | 53.9° | 60.0° |
| C18 | C17 | C16 | H16A | 66.7° | 60.0° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
| H18 | C18 | C17 | C16 | 135.2° | 180.0° |
| H18 | C18 | C17 | H17 | 104.8° | 60.0° |
| H18 | C18 | C17 | H17A | 16.1° | 60.0° |
| H18A | C18 | C17 | C16 | 104.8° | 60.0° |
| H18A | C18 | C17 | H17 | 15.2° | 60.0° |
| H18A | C18 | C17 | H17A | 136.0° | 180.0° |
| H18B | C18 | C17 | C16 | 15.2° | 60.0° |
| H18B | C18 | C17 | H17 | 135.2° | 180.0° |
| H18B | C18 | C17 | H17A | 104.0° | 60.0° |
| C16 | C17 | H17 | H17A | 119.2° | 120.0° |
| C17 | C16 | C15 | H16 | 120.0° | 120.0° |
| C17 | C16 | C15 | H16A | 119.4° | 120.0° |
| C17 | C16 | H16 | H16A | 119.4° | 120.1° |
| C17 | C16 | C15 | C14 | 174.6° | 180.0° |
| C17 | C16 | C15 | H15 | 65.4° | 60.0° |
| C17 | C16 | C15 | H15A | 55.3° | 60.0° |
| H17 | C17 | C16 | C15 | 66.1° | 60.0° |
| H17 | C17 | C16 | H16 | 174.0° | 180.0° |
| H17 | C17 | C16 | H16A | 53.3° | 59.9° |
| H17A | C17 | C16 | C15 | 54.8° | 60.0° |
| H17A | C17 | C16 | H16 | 65.2° | 60.0° |
| H17A | C17 | C16 | H16A | 174.1° | 180.0° |
| C15 | C16 | H16 | H16A | 119.3° | 119.9° |
| C16 | C15 | C14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C14 | H15A | 119.2° | 120.0° |
| C16 | C15 | H15 | H15A | 119.2° | 120.0° |
| C16 | C15 | C14 | C13 | 171.7° | 180.0° |
| C16 | C15 | C14 | H14 | 51.8° | 60.0° |
| C16 | C15 | C14 | H14A | 69.0° | 60.0° |
| H16 | C16 | C15 | C14 | 54.6° | 60.0° |
| H16 | C16 | C15 | H15 | 174.6° | 180.0° |
| H16 | C16 | C15 | H15A | 64.6° | 60.0° |
| H16A | C16 | C15 | C14 | 66.1° | 60.0° |
| H16A | C16 | C15 | H15 | 53.9° | 60.1° |
| H16A | C16 | C15 | H15A | 174.7° | 180.0° |
| C14 | C15 | H15 | H15A | 119.2° | 119.9° |
| C15 | C14 | C13 | H14 | 120.0° | 119.9° |
| C15 | C14 | C13 | H14A | 119.2° | 120.0° |
| C15 | C14 | H14 | H14A | 119.2° | 120.0° |
| C15 | C14 | C13 | C12 | 56.9° | 175.0° |
| C15 | C14 | C13 | O21 | 177.0° | 65.0° |
| C15 | C14 | C13 | H13 | 63.5° | 55.0° |
| H15 | C15 | C14 | C13 | 68.2° | 60.0° |
| H15 | C15 | C14 | H14 | 171.8° | 179.9° |
| H15 | C15 | C14 | H14A | 51.0° | 60.0° |
| H15A | C15 | C14 | C13 | 52.6° | 59.9° |
| H15A | C15 | C14 | H14 | 67.4° | 60.0° |
| H15A | C15 | C14 | H14A | 171.8° | 180.0° |
| C13 | C14 | H14 | H14A | 119.3° | 120.1° |
| C14 | C13 | C12 | O21 | 120.8° | 120.0° |
| C14 | C13 | C12 | H13 | 119.6° | 120.0° |
| C14 | C13 | O21 | H13 | 119.6° | 120.1° |
| C14 | C13 | O21 | HO21 | 105.5° | 60.0° |
| C14 | C13 | C12 | C11 | 173.3° | 124.9° |
| C14 | C13 | C12 | H12 | 6.7° | 55.0° |
| H14 | C14 | C13 | C12 | 63.1° | 55.1° |
| H14 | C14 | C13 | O21 | 57.0° | 175.0° |
| H14 | C14 | C13 | H13 | 176.6° | 64.9° |
| H14A | C14 | C13 | C12 | 176.1° | 65.0° |
| H14A | C14 | C13 | O21 | 63.8° | 55.0° |
| H14A | C14 | C13 | H13 | 55.8° | 175.0° |
| C12 | C13 | O21 | H13 | 120.4° | 119.9° |
| C12 | C13 | O21 | HO21 | 14.5° | 60.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.6° | 180.0° |
| C13 | C12 | C11 | H11 | 0.4° | 0.1° |
| O21 | C13 | C12 | C11 | 65.9° | 4.9° |
| O21 | C13 | C12 | H12 | 114.1° | 175.0° |
| H13 | C13 | O21 | HO21 | 134.9° | 180.0° |
| H13 | C13 | C12 | C11 | 53.7° | 115.0° |
| H13 | C13 | C12 | H12 | 126.3° | 65.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.1° | 179.9° |
| C12 | C11 | C10 | H10 | 179.9° | 0.1° |
| H12 | C12 | C11 | C10 | 0.4° | 0.1° |
| H12 | C12 | C11 | H11 | 179.6° | 180.0° |
| C11 | C10 | C09 | H10 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 179.5° | 180.0° |
| C11 | C10 | C09 | H09 | 0.5° | 0.0° |
| H11 | C11 | C10 | C09 | 180.0° | 0.0° |
| H11 | C11 | C10 | H10 | 0.1° | 180.0° |
| C10 | C09 | C08 | H09 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 68.9° | 125.0° |
| C10 | C09 | C08 | H08 | 171.1° | 115.0° |
| C10 | C09 | C08 | H08A | 50.6° | 5.1° |
| H10 | C10 | C09 | C08 | 0.5° | 0.0° |
| H10 | C10 | C09 | H09 | 179.5° | NaN° |
| C09 | C08 | C07 | H08 | 120.0° | 120.1° |
| C09 | C08 | C07 | H08A | 119.6° | 120.0° |
| C09 | C08 | H08 | H08A | 119.6° | 120.1° |
| C09 | C08 | C07 | C06 | 166.2° | 180.0° |
| C09 | C08 | C07 | H07 | 73.8° | 60.0° |
| C09 | C08 | C07 | H07A | 47.0° | 60.0° |
| H09 | C09 | C08 | C07 | 111.1° | 55.0° |
| H09 | C09 | C08 | H08 | 8.9° | 65.0° |
| H09 | C09 | C08 | H08A | 129.4° | 175.0° |
| C07 | C08 | H08 | H08A | 119.6° | 119.9° |
| C08 | C07 | C06 | H07 | 120.0° | 120.0° |
| C08 | C07 | C06 | H07A | 119.2° | 120.0° |
| C08 | C07 | H07 | H07A | 119.3° | 119.9° |
| C08 | C07 | C06 | C05 | 58.3° | 180.0° |
| C08 | C07 | C06 | H06 | 61.7° | 59.9° |
| C08 | C07 | C06 | H06A | 178.1° | 60.0° |
| H08 | C08 | C07 | C06 | 46.2° | 59.9° |
| H08 | C08 | C07 | H07 | 166.2° | 179.9° |
| H08 | C08 | C07 | H07A | 73.0° | 60.1° |
| H08A | C08 | C07 | C06 | 74.3° | 60.0° |
| H08A | C08 | C07 | H07 | 45.7° | 60.0° |
| H08A | C08 | C07 | H07A | 166.5° | 180.0° |
| C06 | C07 | H07 | H07A | 119.2° | 120.0° |
| C07 | C06 | C05 | H06 | 120.0° | 120.1° |
| C07 | C06 | C05 | H06A | 119.8° | 120.0° |
| C07 | C06 | H06 | H06A | 119.8° | 119.9° |
| C07 | C06 | C05 | C04 | 177.2° | 180.0° |
| C07 | C06 | C05 | H05 | 57.2° | 59.9° |
| C07 | C06 | C05 | H05A | 64.3° | 60.0° |
| H07 | C07 | C06 | C05 | 178.3° | 60.0° |
| H07 | C07 | C06 | H06 | 58.3° | 180.0° |
| H07 | C07 | C06 | H06A | 61.9° | 60.0° |
| H07A | C07 | C06 | C05 | 61.0° | 60.0° |
| H07A | C07 | C06 | H06 | 179.0° | 60.0° |
| H07A | C07 | C06 | H06A | 58.9° | 180.0° |
| C05 | C06 | H06 | H06A | 119.9° | 120.0° |
| C06 | C05 | C04 | H05 | 120.0° | 120.1° |
| C06 | C05 | C04 | H05A | 118.5° | 120.0° |
| C06 | C05 | H05 | H05A | 118.5° | 119.9° |
| C06 | C05 | C04 | C03 | 70.5° | 180.0° |
| C06 | C05 | C04 | H04 | 169.5° | 60.0° |
| C06 | C05 | C04 | H04A | 48.2° | 60.1° |
| H06 | C06 | C05 | C04 | 62.8° | 59.9° |
| H06 | C06 | C05 | H05 | 177.2° | 180.0° |
| H06 | C06 | C05 | H05A | 55.7° | 60.1° |
| H06A | C06 | C05 | C04 | 57.4° | 60.0° |
| H06A | C06 | C05 | H05 | 62.6° | 60.0° |
| H06A | C06 | C05 | H05A | 175.9° | 180.0° |
| C04 | C05 | H05 | H05A | 118.6° | 120.0° |
| C05 | C04 | C03 | H04 | 120.0° | 120.0° |
| C05 | C04 | C03 | H04A | 118.7° | 119.9° |
| C05 | C04 | H04 | H04A | 118.8° | 120.0° |
| C05 | C04 | C03 | C02 | 67.0° | 179.9° |
| C05 | C04 | C03 | H03 | 53.0° | 60.0° |
| C05 | C04 | C03 | H03A | 174.0° | 60.0° |
| H05 | C05 | C04 | C03 | 49.5° | 60.0° |
| H05 | C05 | C04 | H04 | 70.5° | 180.0° |
| H05 | C05 | C04 | H04A | 168.2° | 60.0° |
| H05A | C05 | C04 | C03 | 171.0° | 60.0° |
| H05A | C05 | C04 | H04 | 51.0° | 60.0° |
| H05A | C05 | C04 | H04A | 70.2° | 180.0° |
| C03 | C04 | H04 | H04A | 118.8° | 120.0° |
| C04 | C03 | C02 | H03 | 120.0° | 120.0° |
| C04 | C03 | C02 | H03A | 119.0° | 120.0° |
| C04 | C03 | H03 | H03A | 119.0° | 120.0° |
| C04 | C03 | C02 | C01 | 56.5° | 180.0° |
| C04 | C03 | C02 | H02 | 63.5° | 60.0° |
| C04 | C03 | C02 | H02A | 176.1° | 60.0° |
| H04 | C04 | C03 | C02 | 173.0° | 60.0° |
| H04 | C04 | C03 | H03 | 67.0° | 180.0° |
| H04 | C04 | C03 | H03A | 54.0° | 60.0° |
| H04A | C04 | C03 | C02 | 51.8° | 60.0° |
| H04A | C04 | C03 | H03 | 171.7° | 59.9° |
| H04A | C04 | C03 | H03A | 67.2° | 180.0° |
| C02 | C03 | H03 | H03A | 119.0° | 120.0° |
| C03 | C02 | C01 | H02 | 120.0° | 120.0° |
| C03 | C02 | C01 | H02A | 119.6° | 120.1° |
| C03 | C02 | H02 | H02A | 119.6° | 120.0° |
| C03 | C02 | C01 | O20 | 87.7° | 0.1° |
| C03 | C02 | C01 | O19 | 91.7° | 180.0° |
| H03 | C03 | C02 | C01 | 176.5° | 60.0° |
| H03 | C03 | C02 | H02 | 56.5° | NaN° |
| H03 | C03 | C02 | H02A | 63.9° | 60.0° |
| H03A | C03 | C02 | C01 | 62.5° | 60.0° |
| H03A | C03 | C02 | H02 | 177.5° | 60.0° |
| H03A | C03 | C02 | H02A | 57.1° | 180.0° |
| C01 | C02 | H02 | H02A | 119.6° | 120.0° |
| C02 | C01 | O20 | O19 | 179.4° | 179.9° |
| C02 | C01 | O19 | HO19 | 179.4° | 180.0° |
| H02 | C02 | C01 | O20 | 152.3° | 120.0° |
| H02 | C02 | C01 | O19 | 28.2° | 60.1° |
| H02A | C02 | C01 | O20 | 31.9° | 120.0° |
| H02A | C02 | C01 | O19 | 148.6° | 59.9° |
| O20 | C01 | O19 | HO19 | 0.0° | 0.1° |
