9HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | doub | 1.33Å | 1.33Å | |
| C11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | doub | 1.33Å | 1.33Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H23C | sing | 1.09Å | 1.10Å | |
| C4 | H14C | sing | 1.09Å | 1.10Å | |
| C4 | H24C | sing | 1.09Å | 1.10Å | |
| C5 | H15C | sing | 1.09Å | 1.10Å | |
| C5 | H25C | sing | 1.09Å | 1.10Å | |
| C6 | H16C | sing | 1.09Å | 1.10Å | |
| C6 | H26C | sing | 1.09Å | 1.10Å | |
| C7 | H17C | sing | 1.09Å | 1.10Å | |
| C7 | H27C | sing | 1.09Å | 1.10Å | |
| C8 | H18C | sing | 1.09Å | 1.10Å | |
| C8 | H28C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H114 | sing | 1.09Å | 1.10Å | |
| C14 | H214 | sing | 1.09Å | 1.10Å | |
| C15 | H115 | sing | 1.09Å | 1.10Å | |
| C15 | H215 | sing | 1.09Å | 1.10Å | |
| C16 | H116 | sing | 1.09Å | 1.10Å | |
| C16 | H216 | sing | 1.09Å | 1.10Å | |
| C17 | H117 | sing | 1.09Å | 1.10Å | |
| C17 | H217 | sing | 1.09Å | 1.10Å | |
| C18 | H118 | sing | 1.09Å | 1.10Å | |
| C18 | H218 | sing | 1.09Å | 1.10Å | |
| C18 | H318 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 123.0° | 120.1° |
| O2 | C1 | C2 | 118.5° | 120.0° |
| O1 | C1 | C2 | 118.5° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | H12C | 109.5° | 109.5° |
| C1 | C2 | H22C | 109.5° | 109.4° |
| C2 | C3 | C4 | 111.0° | 109.5° |
| C3 | C2 | H12C | 109.5° | 109.5° |
| C3 | C2 | H22C | 109.5° | 109.5° |
| C2 | C3 | H13C | 108.9° | 109.5° |
| C2 | C3 | H23C | 108.6° | 109.5° |
| C3 | C4 | C5 | 111.0° | 109.5° |
| C4 | C3 | H13C | 109.0° | 109.5° |
| C4 | C3 | H23C | 108.6° | 109.4° |
| C3 | C4 | H14C | 109.0° | 109.5° |
| C3 | C4 | H24C | 108.7° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C5 | C4 | H14C | 109.0° | 109.5° |
| C5 | C4 | H24C | 108.6° | 109.4° |
| C4 | C5 | H15C | 109.0° | 109.5° |
| C4 | C5 | H25C | 108.6° | 109.4° |
| C5 | C6 | C7 | 111.0° | 109.4° |
| C6 | C5 | H15C | 109.0° | 109.5° |
| C6 | C5 | H25C | 108.6° | 109.5° |
| C5 | C6 | H16C | 109.0° | 109.5° |
| C5 | C6 | H26C | 108.6° | 109.4° |
| C6 | C7 | C8 | 111.0° | 109.4° |
| C7 | C6 | H16C | 109.0° | 109.5° |
| C7 | C6 | H26C | 108.6° | 109.5° |
| C6 | C7 | H17C | 109.0° | 109.5° |
| C6 | C7 | H27C | 108.6° | 109.5° |
| C7 | C8 | C9 | 111.0° | 109.4° |
| C8 | C7 | H17C | 109.0° | 109.5° |
| C8 | C7 | H27C | 108.6° | 109.4° |
| C7 | C8 | H18C | 108.9° | 109.5° |
| C7 | C8 | H28C | 108.6° | 109.5° |
| C8 | C9 | C10 | 109.5° | 109.4° |
| C8 | C9 | O3 | 109.5° | 109.5° |
| C9 | C8 | H18C | 109.0° | 109.5° |
| C9 | C8 | H28C | 108.6° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | O3 | 109.5° | 109.4° |
| C9 | C10 | C11 | 120.0° | 120.0° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| O3 | C9 | H9 | 109.4° | 109.5° |
| C9 | O3 | H3 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 109.5° | 109.5° |
| C14 | C13 | H13 | 120.0° | 120.1° |
| C13 | C14 | H114 | 109.4° | 109.5° |
| C13 | C14 | H214 | 109.5° | 109.5° |
| C14 | C15 | C16 | 111.0° | 109.5° |
| C15 | C14 | H114 | 109.5° | 109.4° |
| C15 | C14 | H214 | 109.5° | 109.5° |
| C14 | C15 | H115 | 109.0° | 109.4° |
| C14 | C15 | H215 | 108.6° | 109.5° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C16 | C15 | H115 | 108.9° | 109.4° |
| C16 | C15 | H215 | 108.6° | 109.5° |
| C15 | C16 | H116 | 108.9° | 109.5° |
| C15 | C16 | H216 | 108.6° | 109.5° |
| C16 | C17 | C18 | 111.0° | 109.5° |
| C17 | C16 | H116 | 108.9° | 109.5° |
| C17 | C16 | H216 | 108.6° | 109.5° |
| C16 | C17 | H117 | 109.0° | 109.5° |
| C16 | C17 | H217 | 108.6° | 109.5° |
| C18 | C17 | H117 | 108.9° | 109.4° |
| C18 | C17 | H217 | 108.6° | 109.5° |
| C17 | C18 | H118 | 109.5° | 109.5° |
| C17 | C18 | H218 | 109.4° | 109.5° |
| C17 | C18 | H318 | 109.5° | 109.4° |
| H12C | C2 | H22C | 109.5° | 109.5° |
| H13C | C3 | H23C | 110.7° | 109.5° |
| H14C | C4 | H24C | 110.6° | 109.4° |
| H15C | C5 | H25C | 110.7° | 109.5° |
| H16C | C6 | H26C | 110.7° | 109.5° |
| H17C | C7 | H27C | 110.7° | 109.5° |
| H18C | C8 | H28C | 110.7° | 109.5° |
| H114 | C14 | H214 | 109.5° | 109.4° |
| H115 | C15 | H215 | 110.7° | 109.5° |
| H116 | C16 | H216 | 110.7° | 109.4° |
| H117 | C17 | H217 | 110.7° | 109.5° |
| H118 | C18 | H218 | 109.5° | 109.5° |
| H118 | C18 | H318 | 109.4° | 109.5° |
| H218 | C18 | H318 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 180.0° | 179.7° |
| O2 | C1 | C2 | C3 | 61.1° | 0.0° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O2 | C1 | C2 | H12C | 58.8° | 120.0° |
| O2 | C1 | C2 | H22C | 178.8° | 120.0° |
| O1 | C1 | C2 | C3 | 118.9° | 179.7° |
| O1 | C1 | C2 | H12C | 121.2° | 60.3° |
| O1 | C1 | C2 | H22C | 1.2° | 59.8° |
| C1 | C2 | C3 | H12C | 120.0° | 120.0° |
| C1 | C2 | C3 | H22C | 120.0° | 119.9° |
| C1 | C2 | C3 | C4 | 68.0° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 179.8° |
| C1 | C2 | H12C | H22C | 120.0° | 120.0° |
| C1 | C2 | C3 | H13C | 52.0° | 60.0° |
| C1 | C2 | C3 | H23C | 172.6° | 60.1° |
| C2 | C3 | C4 | H13C | 120.0° | 120.1° |
| C2 | C3 | C4 | H23C | 119.4° | 119.9° |
| C2 | C3 | C4 | C5 | 171.5° | 180.0° |
| C3 | C2 | H12C | H22C | 120.0° | 120.0° |
| C2 | C3 | H13C | H23C | 119.4° | 120.0° |
| C2 | C3 | C4 | H14C | 51.5° | 59.9° |
| C2 | C3 | C4 | H24C | 69.1° | 60.1° |
| C3 | C4 | C5 | H14C | 120.0° | 120.1° |
| C3 | C4 | C5 | H24C | 119.4° | 119.9° |
| C3 | C4 | C5 | C6 | 54.0° | 180.0° |
| C4 | C3 | C2 | H12C | 172.0° | 60.0° |
| C4 | C3 | C2 | H22C | 52.0° | 60.1° |
| C4 | C3 | H13C | H23C | 119.4° | 120.0° |
| C3 | C4 | H14C | H24C | 119.4° | 120.0° |
| C3 | C4 | C5 | H15C | 66.0° | 59.9° |
| C3 | C4 | C5 | H25C | 173.4° | 60.1° |
| C4 | C5 | C6 | H15C | 120.0° | 120.0° |
| C4 | C5 | C6 | H25C | 119.4° | 119.9° |
| C4 | C5 | C6 | C7 | 145.2° | 180.0° |
| C5 | C4 | C3 | H13C | 68.5° | 59.9° |
| C5 | C4 | C3 | H23C | 52.1° | 60.1° |
| C5 | C4 | H14C | H24C | 119.4° | 119.9° |
| C4 | C5 | H15C | H25C | 119.4° | 119.9° |
| C4 | C5 | C6 | H16C | 94.8° | 60.0° |
| C4 | C5 | C6 | H26C | 25.8° | 60.1° |
| C5 | C6 | C7 | H16C | 120.0° | 120.0° |
| C5 | C6 | C7 | H26C | 119.4° | 120.0° |
| C5 | C6 | C7 | C8 | 165.3° | 180.0° |
| C6 | C5 | C4 | H14C | 174.0° | 59.9° |
| C6 | C5 | C4 | H24C | 65.4° | 60.0° |
| C6 | C5 | H15C | H25C | 119.4° | 120.1° |
| C5 | C6 | H16C | H26C | 119.4° | 120.0° |
| C5 | C6 | C7 | H17C | 74.7° | 60.0° |
| C5 | C6 | C7 | H27C | 45.9° | 60.0° |
| C6 | C7 | C8 | H17C | 120.0° | 120.0° |
| C6 | C7 | C8 | H27C | 119.3° | 120.0° |
| C6 | C7 | C8 | C9 | 142.6° | 180.0° |
| C7 | C6 | C5 | H15C | 25.2° | 60.0° |
| C7 | C6 | C5 | H25C | 95.5° | 60.1° |
| C7 | C6 | H16C | H26C | 119.4° | 120.0° |
| C6 | C7 | H17C | H27C | 119.4° | 120.0° |
| C6 | C7 | C8 | H18C | 97.4° | 60.0° |
| C6 | C7 | C8 | H28C | 23.2° | 60.1° |
| C7 | C8 | C9 | H18C | 120.0° | 120.0° |
| C7 | C8 | C9 | H28C | 119.4° | 120.0° |
| C7 | C8 | C9 | C10 | 74.4° | 175.0° |
| C7 | C8 | C9 | O3 | 165.6° | 65.0° |
| C8 | C7 | C6 | H16C | 45.3° | 60.0° |
| C8 | C7 | C6 | H26C | 75.3° | 60.0° |
| C8 | C7 | H17C | H27C | 119.4° | 120.0° |
| C7 | C8 | H18C | H28C | 119.4° | 120.0° |
| C7 | C8 | C9 | H9 | 45.6° | 55.0° |
| C8 | C9 | C10 | O3 | 120.0° | 119.9° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | O3 | H9 | 120.0° | 120.1° |
| C8 | C9 | C10 | C11 | 74.4° | 125.0° |
| C9 | C8 | C7 | H17C | 22.6° | 60.0° |
| C9 | C8 | C7 | H27C | 98.1° | 60.0° |
| C9 | C8 | H18C | H28C | 119.4° | 120.0° |
| C8 | C9 | C10 | H10 | 105.6° | 55.1° |
| C8 | C9 | O3 | H3 | 44.4° | 60.0° |
| C10 | C9 | O3 | H9 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | C9 | C8 | H18C | 45.6° | 55.0° |
| C10 | C9 | C8 | H28C | 166.2° | 65.0° |
| C10 | C9 | O3 | H3 | 164.4° | 59.9° |
| C9 | C10 | C11 | H11 | 0.0° | 0.0° |
| O3 | C9 | C10 | C11 | 165.6° | 5.1° |
| O3 | C9 | C8 | H18C | 74.4° | 175.0° |
| O3 | C9 | C8 | H28C | 46.2° | 54.9° |
| O3 | C9 | C10 | H10 | 14.4° | 175.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 164.4° | 175.2° |
| C11 | C10 | C9 | H9 | 45.6° | 115.0° |
| C10 | C11 | C12 | H12 | 15.6° | 4.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 6.2° |
| C12 | C11 | C10 | H10 | 0.0° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 173.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 135.7° | 126.1° |
| C13 | C12 | C11 | H11 | 15.6° | 4.8° |
| C12 | C13 | C14 | H114 | 104.3° | 114.0° |
| C12 | C13 | C14 | H214 | 15.7° | 6.0° |
| C13 | C14 | C15 | H114 | 120.0° | 120.0° |
| C13 | C14 | C15 | H214 | 120.0° | 120.1° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 173.8° |
| C13 | C14 | H114 | H214 | 120.0° | 120.0° |
| C13 | C14 | C15 | H115 | 60.4° | 60.1° |
| C13 | C14 | C15 | H215 | 60.3° | 59.9° |
| C14 | C15 | C16 | H115 | 120.0° | 119.9° |
| C14 | C15 | C16 | H215 | 119.3° | 120.1° |
| C14 | C15 | C16 | C17 | 171.0° | 180.0° |
| C15 | C14 | C13 | H13 | 44.3° | 53.9° |
| C15 | C14 | H114 | H214 | 120.0° | 120.0° |
| C14 | C15 | H115 | H215 | 119.4° | 120.0° |
| C14 | C15 | C16 | H116 | 69.0° | 60.1° |
| C14 | C15 | C16 | H216 | 51.7° | 59.9° |
| C15 | C16 | C17 | H116 | 120.0° | 120.0° |
| C15 | C16 | C17 | H216 | 119.3° | 120.0° |
| C15 | C16 | C17 | C18 | 174.9° | 180.0° |
| C16 | C15 | C14 | H114 | 59.6° | 60.0° |
| C16 | C15 | C14 | H214 | 60.4° | 60.0° |
| C16 | C15 | H115 | H215 | 119.3° | 120.0° |
| C15 | C16 | H116 | H216 | 119.3° | 120.0° |
| C15 | C16 | C17 | H117 | 65.1° | 60.1° |
| C15 | C16 | C17 | H217 | 55.5° | 60.0° |
| C16 | C17 | C18 | H117 | 120.0° | 120.0° |
| C16 | C17 | C18 | H217 | 119.4° | 120.0° |
| C17 | C16 | C15 | H115 | 51.0° | 60.0° |
| C17 | C16 | C15 | H215 | 69.6° | 60.0° |
| C17 | C16 | H116 | H216 | 119.4° | 120.0° |
| C16 | C17 | H117 | H217 | 119.4° | 120.0° |
| C16 | C17 | C18 | H118 | 99.3° | 180.0° |
| C16 | C17 | C18 | H218 | 140.7° | 60.0° |
| C16 | C17 | C18 | H318 | 20.7° | 59.9° |
| C18 | C17 | C16 | H116 | 54.9° | 60.0° |
| C18 | C17 | C16 | H216 | 65.8° | 60.0° |
| C18 | C17 | H117 | H217 | 119.4° | 120.0° |
| C17 | C18 | H118 | H218 | 120.0° | 120.0° |
| C17 | C18 | H118 | H318 | 120.0° | 120.0° |
| C17 | C18 | H218 | H318 | 120.0° | 119.9° |
| H12C | C2 | C3 | H13C | 68.0° | 180.0° |
| H12C | C2 | C3 | H23C | 52.6° | 60.0° |
| H22C | C2 | C3 | H13C | 172.0° | 60.0° |
| H22C | C2 | C3 | H23C | 67.4° | 180.0° |
| H13C | C3 | C4 | H14C | 171.5° | 180.0° |
| H13C | C3 | C4 | H24C | 50.8° | 60.0° |
| H23C | C3 | C4 | H14C | 67.9° | 60.0° |
| H23C | C3 | C4 | H24C | 171.5° | 180.0° |
| H14C | C4 | C5 | H15C | 54.0° | 180.0° |
| H14C | C4 | C5 | H25C | 66.6° | 60.1° |
| H24C | C4 | C5 | H15C | 174.6° | 60.0° |
| H24C | C4 | C5 | H25C | 54.0° | 180.0° |
| H15C | C5 | C6 | H16C | 145.2° | 180.0° |
| H15C | C5 | C6 | H26C | 94.2° | 60.0° |
| H25C | C5 | C6 | H16C | 24.5° | 60.0° |
| H25C | C5 | C6 | H26C | 145.2° | 180.0° |
| H16C | C6 | C7 | H17C | 165.3° | 180.0° |
| H16C | C6 | C7 | H27C | 74.1° | 60.0° |
| H26C | C6 | C7 | H17C | 44.7° | 60.0° |
| H26C | C6 | C7 | H27C | 165.3° | 180.0° |
| H17C | C7 | C8 | H18C | 142.6° | 180.0° |
| H17C | C7 | C8 | H28C | 96.8° | 60.0° |
| H27C | C7 | C8 | H18C | 21.9° | 60.0° |
| H27C | C7 | C8 | H28C | 142.6° | 180.0° |
| H18C | C8 | C9 | H9 | 165.6° | 65.0° |
| H28C | C8 | C9 | H9 | 73.8° | 175.0° |
| H9 | C9 | C10 | H10 | 134.4° | 64.9° |
| H9 | C9 | O3 | H3 | 75.6° | 179.9° |
| H10 | C10 | C11 | H11 | 180.0° | 179.9° |
| H11 | C11 | C12 | H12 | 164.4° | 175.2° |
| H12 | C12 | C13 | H13 | 0.1° | 6.2° |
| H13 | C13 | C14 | H114 | 75.7° | 66.1° |
| H13 | C13 | C14 | H214 | 164.3° | 174.0° |
| H114 | C14 | C15 | H115 | 179.6° | 179.9° |
| H114 | C14 | C15 | H215 | 59.7° | 60.0° |
| H214 | C14 | C15 | H115 | 59.6° | 60.0° |
| H214 | C14 | C15 | H215 | 179.7° | 180.0° |
| H115 | C15 | C16 | H116 | 171.0° | 180.0° |
| H115 | C15 | C16 | H216 | 68.3° | 60.0° |
| H215 | C15 | C16 | H116 | 50.3° | 60.0° |
| H215 | C15 | C16 | H216 | 171.0° | 180.0° |
| H116 | C16 | C17 | H117 | 174.9° | 179.9° |
| H116 | C16 | C17 | H217 | 64.5° | 60.0° |
| H216 | C16 | C17 | H117 | 54.2° | 60.0° |
| H216 | C16 | C17 | H217 | 174.9° | 180.0° |
| H117 | C17 | C18 | H118 | 20.7° | 60.0° |
| H117 | C17 | C18 | H218 | 99.3° | 180.0° |
| H117 | C17 | C18 | H318 | 140.7° | 60.1° |
| H217 | C17 | C18 | H118 | 141.3° | 60.0° |
| H217 | C17 | C18 | H218 | 21.3° | 60.0° |
| H217 | C17 | C18 | H318 | 98.7° | 180.0° |
| H118 | C18 | H218 | H318 | 120.0° | 120.0° |
