HYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C11 | sing | 1.53Å | 1.61Å | |
| C09 | C05 | sing | 1.54Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.67Å | |
| C10 | C06 | sing | 1.54Å | 1.54Å | |
| C11 | O01 | sing | 1.45Å | 1.29Å | |
| N04 | C12 | sing | 1.47Å | 1.40Å | |
| N04 | C05 | sing | 1.49Å | 1.34Å | |
| N04 | C06 | sing | 1.49Å | 1.35Å | |
| C05 | C07 | sing | 1.55Å | 1.59Å | |
| C06 | C08 | sing | 1.55Å | 1.59Å | |
| O02 | C13 | doub | 1.21Å | 1.18Å | |
| O01 | C13 | sing | 1.34Å | 1.38Å | |
| C19 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.50Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C17 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C07 | C08 | sing | 1.54Å | 1.49Å | |
| C21 | C20 | doub | 1.38Å | 1.51Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C15 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | O03 | sing | 1.43Å | 1.44Å | |
| C20 | C18 | sing | 1.38Å | 1.53Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| O03 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C09 | C05 | 114.0° | 108.9° |
| C09 | C11 | C10 | 106.6° | 109.7° |
| C09 | C11 | O01 | 100.4° | 109.4° |
| C11 | C09 | H12 | 108.3° | 109.5° |
| C11 | C09 | H13 | 108.3° | 109.6° |
| C09 | C11 | H14 | 110.7° | 109.5° |
| C09 | C05 | N04 | 111.6° | 107.2° |
| C09 | C05 | C07 | 111.9° | 107.8° |
| C09 | C05 | H6 | 109.4° | 112.6° |
| C05 | C09 | H12 | 108.3° | 109.6° |
| C05 | C09 | H13 | 108.3° | 109.6° |
| C11 | C10 | C06 | 111.2° | 108.9° |
| C10 | C11 | O01 | 112.1° | 109.4° |
| C11 | C10 | H1 | 109.0° | 109.6° |
| C11 | C10 | H2 | 109.0° | 109.6° |
| C10 | C11 | H14 | 110.0° | 109.4° |
| C10 | C06 | N04 | 110.4° | 107.2° |
| C10 | C06 | C08 | 111.3° | 107.8° |
| C06 | C10 | H1 | 109.0° | 109.6° |
| C06 | C10 | H2 | 109.0° | 109.5° |
| C10 | C06 | H7 | 109.6° | 112.1° |
| C11 | O01 | C13 | 117.9° | 117.0° |
| O01 | C11 | H14 | 116.2° | 109.4° |
| C12 | N04 | C05 | 109.8° | 111.0° |
| C12 | N04 | C06 | 117.2° | 111.0° |
| N04 | C12 | H15 | 109.5° | 109.5° |
| N04 | C12 | H16 | 109.5° | 109.4° |
| N04 | C12 | H17 | 109.5° | 109.5° |
| C05 | N04 | C06 | 107.7° | 103.4° |
| N04 | C05 | C07 | 103.9° | 104.2° |
| N04 | C05 | H6 | 111.8° | 112.2° |
| N04 | C06 | C08 | 103.8° | 104.2° |
| N04 | C06 | H7 | 112.6° | 112.7° |
| C05 | C07 | C08 | 101.7° | 104.8° |
| C07 | C05 | H6 | 108.2° | 112.2° |
| C05 | C07 | H8 | 111.4° | 110.4° |
| C05 | C07 | H9 | 111.4° | 110.4° |
| C06 | C08 | C07 | 103.1° | 104.9° |
| C08 | C06 | H7 | 109.0° | 112.2° |
| C06 | C08 | H10 | 111.0° | 110.4° |
| C06 | C08 | H11 | 111.0° | 110.3° |
| O02 | C13 | O01 | 121.9° | 120.0° |
| O02 | C13 | C14 | 119.8° | 120.0° |
| O01 | C13 | C14 | 118.3° | 120.0° |
| C17 | C19 | C21 | 117.7° | 120.0° |
| C19 | C17 | C15 | 120.8° | 120.0° |
| C19 | C17 | H3 | 119.6° | 120.0° |
| C17 | C19 | H22 | 121.2° | 120.0° |
| C19 | C21 | C20 | 121.7° | 120.0° |
| C19 | C21 | H5 | 119.1° | 120.0° |
| C21 | C19 | H22 | 121.1° | 119.9° |
| C13 | C14 | C15 | 107.4° | 109.5° |
| C13 | C14 | C16 | 109.4° | 109.4° |
| C13 | C14 | H18 | 111.4° | 109.5° |
| C17 | C15 | C14 | 117.9° | 120.0° |
| C17 | C15 | C18 | 121.5° | 120.0° |
| C15 | C17 | H3 | 119.6° | 120.0° |
| C08 | C07 | H8 | 111.4° | 110.4° |
| C08 | C07 | H9 | 111.4° | 110.3° |
| C07 | C08 | H10 | 111.0° | 110.4° |
| C07 | C08 | H11 | 111.0° | 110.4° |
| C21 | C20 | C18 | 120.9° | 120.0° |
| C21 | C20 | H4 | 119.5° | 119.9° |
| C20 | C21 | H5 | 119.2° | 120.0° |
| C14 | C15 | C18 | 120.6° | 120.0° |
| C15 | C14 | C16 | 106.8° | 109.5° |
| C15 | C14 | H18 | 110.8° | 109.5° |
| C15 | C18 | C20 | 117.3° | 120.0° |
| C15 | C18 | H21 | 121.3° | 120.0° |
| C14 | C16 | O03 | 107.8° | 109.5° |
| C16 | C14 | H18 | 110.8° | 109.5° |
| C14 | C16 | H19 | 109.9° | 109.4° |
| C14 | C16 | H20 | 109.9° | 109.5° |
| O03 | C16 | H19 | 109.9° | 109.4° |
| O03 | C16 | H20 | 109.9° | 109.5° |
| C16 | O03 | H24 | 109.5° | 114.0° |
| C18 | C20 | H4 | 119.5° | 120.1° |
| C20 | C18 | H21 | 121.3° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H8 | C07 | H9 | 109.4° | 110.5° |
| H10 | C08 | H11 | 109.5° | 110.4° |
| H12 | C09 | H13 | 109.4° | 109.6° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C09 | C05 | H12 | 120.7° | 119.8° |
| C11 | C09 | C05 | H13 | 120.7° | 119.8° |
| C09 | C11 | C10 | O01 | 108.9° | 120.0° |
| C09 | C11 | C10 | H14 | 120.1° | 120.1° |
| C09 | C11 | C10 | C06 | 33.6° | 54.0° |
| C09 | C11 | O01 | H14 | 119.4° | 119.9° |
| C11 | C09 | C05 | N04 | 54.6° | 64.1° |
| C11 | C09 | C05 | C07 | 61.3° | 47.6° |
| C09 | C11 | O01 | C13 | 166.2° | 89.8° |
| C09 | C11 | C10 | H1 | 153.9° | 65.8° |
| C09 | C11 | C10 | H2 | 86.7° | 173.8° |
| C11 | C09 | C05 | H6 | 178.8° | 172.0° |
| C11 | C09 | H12 | H13 | 117.9° | 120.3° |
| C05 | C09 | C11 | C10 | 33.6° | 54.0° |
| C05 | C09 | C11 | O01 | 83.4° | 66.0° |
| C09 | C05 | N04 | C12 | 156.0° | 168.4° |
| C09 | C05 | N04 | C07 | 120.7° | 114.1° |
| C09 | C05 | N04 | H6 | 122.9° | 124.1° |
| C09 | C05 | N04 | C06 | 75.3° | 72.6° |
| C09 | C05 | C07 | H6 | 120.6° | 124.6° |
| C09 | C05 | C07 | C08 | 93.3° | 88.5° |
| C09 | C05 | C07 | H8 | 148.0° | 152.6° |
| C09 | C05 | C07 | H9 | 25.5° | 30.2° |
| C05 | C09 | H12 | H13 | 117.9° | 120.3° |
| C05 | C09 | C11 | H14 | 153.2° | 174.1° |
| C11 | C10 | C06 | H1 | 120.3° | 119.8° |
| C11 | C10 | C06 | H2 | 120.3° | 119.8° |
| C10 | C11 | O01 | H14 | 127.7° | 119.9° |
| C11 | C10 | C06 | N04 | 55.0° | 64.1° |
| C11 | C10 | C06 | C08 | 59.6° | 47.6° |
| C10 | C11 | O01 | C13 | 81.0° | 150.0° |
| C11 | C10 | H1 | H2 | 119.2° | 120.3° |
| C11 | C10 | C06 | H7 | 179.7° | 171.6° |
| C10 | C11 | C09 | H12 | 87.1° | 173.9° |
| C10 | C11 | C09 | H13 | 154.2° | 65.8° |
| C06 | C10 | C11 | O01 | 75.3° | 66.0° |
| C10 | C06 | N04 | C12 | 159.9° | 168.4° |
| C10 | C06 | N04 | C05 | 75.7° | 72.6° |
| C10 | C06 | N04 | C08 | 119.3° | 114.2° |
| C10 | C06 | N04 | H7 | 122.9° | 123.9° |
| C10 | C06 | C08 | H7 | 121.0° | 124.0° |
| C10 | C06 | C08 | C07 | 95.9° | 88.6° |
| C06 | C10 | H1 | H2 | 119.2° | 120.3° |
| C10 | C06 | C08 | H10 | 23.1° | 30.3° |
| C10 | C06 | C08 | H11 | 145.2° | 152.6° |
| C06 | C10 | C11 | H14 | 153.7° | 174.1° |
| C11 | O01 | C13 | O02 | 1.4° | 0.1° |
| C11 | O01 | C13 | C14 | 178.2° | 180.0° |
| O01 | C11 | C10 | H1 | 44.9° | 174.1° |
| O01 | C11 | C10 | H2 | 164.4° | 53.8° |
| O01 | C11 | C09 | H12 | 155.9° | 53.8° |
| O01 | C11 | C09 | H13 | 37.3° | 174.1° |
| C12 | N04 | C05 | C06 | 128.7° | 119.1° |
| C12 | N04 | C05 | C07 | 83.3° | 77.5° |
| C12 | N04 | C06 | C08 | 80.8° | 77.5° |
| C12 | N04 | C05 | H6 | 33.1° | 44.2° |
| C12 | N04 | C06 | H7 | 37.0° | 44.5° |
| N04 | C12 | H15 | H16 | 120.0° | 120.0° |
| N04 | C12 | H15 | H17 | 120.0° | 120.0° |
| N04 | C12 | H16 | H17 | 120.0° | 120.0° |
| N04 | C05 | C07 | H6 | 118.9° | 121.7° |
| C05 | N04 | C06 | C08 | 43.6° | 41.6° |
| N04 | C05 | C07 | C08 | 27.2° | 25.2° |
| C05 | N04 | C06 | H7 | 161.4° | 163.6° |
| N04 | C05 | C07 | H8 | 91.6° | 93.7° |
| N04 | C05 | C07 | H9 | 145.9° | 144.0° |
| N04 | C05 | C09 | H12 | 66.1° | 176.1° |
| N04 | C05 | C09 | H13 | 175.2° | 55.7° |
| C05 | N04 | C12 | H15 | 180.0° | 60.0° |
| C05 | N04 | C12 | H16 | 60.0° | 180.0° |
| C05 | N04 | C12 | H17 | 60.0° | 60.0° |
| C06 | N04 | C05 | C07 | 45.4° | 41.6° |
| N04 | C06 | C08 | H7 | 120.2° | 122.3° |
| N04 | C06 | C08 | C07 | 22.9° | 25.2° |
| N04 | C06 | C10 | H1 | 175.3° | 55.7° |
| N04 | C06 | C10 | H2 | 65.2° | 176.0° |
| C06 | N04 | C05 | H6 | 161.9° | 163.3° |
| N04 | C06 | C08 | H10 | 141.9° | 144.1° |
| N04 | C06 | C08 | H11 | 96.1° | 93.7° |
| C06 | N04 | C12 | H15 | 56.7° | 54.4° |
| C06 | N04 | C12 | H16 | 176.7° | 65.6° |
| C06 | N04 | C12 | H17 | 63.3° | 174.4° |
| C05 | C07 | C08 | C06 | 2.3° | 0.0° |
| C05 | C07 | C08 | H8 | 118.8° | 118.8° |
| C05 | C07 | C08 | H9 | 118.7° | 118.8° |
| C05 | C07 | H8 | H9 | 123.6° | 122.3° |
| C05 | C07 | C08 | H10 | 116.6° | 118.9° |
| C05 | C07 | C08 | H11 | 121.3° | 118.8° |
| C07 | C05 | C09 | H12 | 178.0° | 72.2° |
| C07 | C05 | C09 | H13 | 59.3° | 167.4° |
| C06 | C08 | C07 | H10 | 119.0° | 118.9° |
| C06 | C08 | C07 | H11 | 118.9° | 118.8° |
| C08 | C06 | C10 | H1 | 60.7° | 167.4° |
| C08 | C06 | C10 | H2 | 179.9° | 72.2° |
| C06 | C08 | C07 | H8 | 116.4° | 118.8° |
| C06 | C08 | C07 | H9 | 121.1° | 118.8° |
| C06 | C08 | H10 | H11 | 122.9° | 122.3° |
| O02 | C13 | O01 | C14 | 179.7° | 179.9° |
| O02 | C13 | C14 | C15 | 91.4° | 0.1° |
| O02 | C13 | C14 | C16 | 24.2° | 120.0° |
| O02 | C13 | C14 | H18 | 147.1° | 120.1° |
| O01 | C13 | C14 | C15 | 89.0° | 180.0° |
| O01 | C13 | C14 | C16 | 155.5° | 60.0° |
| C13 | O01 | C11 | H14 | 46.8° | 30.2° |
| O01 | C13 | C14 | H18 | 32.6° | 60.0° |
| C17 | C19 | C21 | H22 | 180.0° | 180.0° |
| C19 | C17 | C15 | H3 | 180.0° | 180.0° |
| C17 | C19 | C21 | C20 | 1.8° | 0.3° |
| C19 | C17 | C15 | C14 | 179.2° | 179.9° |
| C19 | C17 | C15 | C18 | 1.0° | 0.3° |
| C17 | C19 | C21 | H5 | 178.2° | 180.0° |
| C21 | C19 | C17 | C15 | 0.7° | 0.0° |
| C19 | C21 | C20 | H5 | 180.0° | 179.7° |
| C19 | C21 | C20 | C18 | 3.1° | 0.2° |
| C21 | C19 | C17 | H3 | 179.3° | 180.0° |
| C19 | C21 | C20 | H4 | 176.9° | 179.7° |
| C13 | C14 | C15 | C17 | 44.8° | 59.7° |
| C13 | C14 | C15 | C16 | 117.2° | 120.0° |
| C13 | C14 | C15 | H18 | 121.9° | 120.0° |
| C13 | C14 | C15 | C18 | 136.9° | 120.0° |
| C13 | C14 | C16 | H18 | 123.2° | 120.0° |
| C13 | C14 | C16 | O03 | 171.3° | 65.0° |
| C13 | C14 | C16 | H19 | 51.5° | 175.0° |
| C13 | C14 | C16 | H20 | 69.0° | 55.1° |
| C17 | C15 | C14 | C18 | 178.3° | 179.6° |
| C17 | C15 | C14 | C16 | 72.4° | 60.3° |
| C17 | C15 | C18 | C20 | 2.2° | 0.3° |
| C17 | C15 | C14 | H18 | 166.7° | 179.7° |
| C17 | C15 | C18 | H21 | 177.8° | 179.7° |
| C15 | C17 | C19 | H22 | 179.3° | 180.0° |
| C08 | C07 | C05 | H6 | 146.1° | 146.9° |
| C07 | C08 | C06 | H7 | 143.1° | 147.5° |
| C08 | C07 | H8 | H9 | 123.6° | 122.3° |
| C07 | C08 | H10 | H11 | 123.0° | 122.3° |
| C21 | C20 | C18 | C15 | 3.2° | 0.1° |
| C21 | C20 | C18 | H4 | 180.0° | 180.0° |
| C21 | C20 | C18 | H21 | 176.7° | 180.0° |
| C20 | C21 | C19 | H22 | 178.2° | 179.7° |
| C15 | C14 | C16 | H18 | 120.9° | 120.0° |
| C15 | C14 | C16 | O03 | 55.3° | 175.0° |
| C14 | C15 | C18 | C20 | 179.6° | 180.0° |
| C14 | C15 | C17 | H3 | 0.8° | 0.0° |
| C15 | C14 | C16 | H19 | 64.4° | 55.0° |
| C15 | C14 | C16 | H20 | 175.1° | 65.0° |
| C14 | C15 | C18 | H21 | 0.4° | 0.1° |
| C18 | C15 | C14 | C16 | 105.8° | 120.1° |
| C15 | C18 | C20 | H21 | 180.0° | 179.9° |
| C18 | C15 | C17 | H3 | 179.0° | 179.7° |
| C15 | C18 | C20 | H4 | 176.8° | 179.9° |
| C18 | C15 | C14 | H18 | 15.0° | 0.1° |
| C14 | C16 | O03 | H19 | 119.8° | 120.0° |
| C14 | C16 | O03 | H20 | 119.7° | 120.0° |
| C14 | C16 | H19 | H20 | 120.8° | 120.0° |
| C14 | C16 | O03 | H24 | 180.0° | 180.0° |
| O03 | C16 | C14 | H18 | 65.5° | 55.0° |
| O03 | C16 | H19 | H20 | 120.8° | 120.0° |
| C18 | C20 | C21 | H5 | 176.9° | 180.0° |
| H1 | C10 | C06 | H7 | 60.0° | 68.5° |
| H1 | C10 | C11 | H14 | 86.0° | 54.3° |
| H2 | C10 | C06 | H7 | 59.4° | 51.8° |
| H2 | C10 | C11 | H14 | 33.4° | 66.1° |
| H3 | C17 | C19 | H22 | 0.7° | 0.0° |
| H4 | C20 | C21 | H5 | 3.1° | 0.0° |
| H4 | C20 | C18 | H21 | 3.3° | 0.0° |
| H5 | C21 | C19 | H22 | 1.8° | 0.0° |
| H6 | C05 | C07 | H8 | 27.3° | 28.1° |
| H6 | C05 | C07 | H9 | 95.2° | 94.3° |
| H6 | C05 | C09 | H12 | 58.1° | 52.1° |
| H6 | C05 | C09 | H13 | 60.6° | 68.2° |
| H7 | C06 | C08 | H10 | 97.9° | 93.6° |
| H7 | C06 | C08 | H11 | 24.1° | 28.6° |
| H8 | C07 | C08 | H10 | 124.6° | 122.3° |
| H8 | C07 | C08 | H11 | 2.5° | 0.0° |
| H9 | C07 | C08 | H10 | 2.1° | 0.0° |
| H9 | C07 | C08 | H11 | 120.0° | 122.4° |
| H12 | C09 | C11 | H14 | 32.5° | 66.1° |
| H13 | C09 | C11 | H14 | 86.1° | 54.2° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H18 | C14 | C16 | H19 | 174.7° | 65.0° |
| H18 | C14 | C16 | H20 | 54.2° | 175.0° |
| H19 | C16 | O03 | H24 | 60.3° | 60.0° |
| H20 | C16 | O03 | H24 | 60.2° | 60.0° |
