HMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | O8 | sing | 1.34Å | 1.46Å | |
| C7 | C2 | sing | 1.48Å | 1.51Å | |
| O8 | C9 | sing | 1.44Å | 1.42Å | |
| C9 | C25 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C11 | C12 | doub | 1.32Å | 1.53Å | |
| C12 | C13 | sing | 1.44Å | 1.51Å | |
| C2 | C1 | doub | 1.41Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O20 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | O21 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| O21 | C22 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | O31 | sing | 1.44Å | 1.43Å | |
| C18 | C17 | sing | 1.52Å | 1.53Å | |
| O31 | C17 | sing | 1.44Å | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.52Å | 1.53Å | |
| C15 | O29 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | O28 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.50Å | 1.51Å | |
| C13 | O24 | doub | 1.23Å | 1.22Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C10 | H10A | sing | 1.10Å | 1.10Å | |
| C11 | H11 | sing | 1.10Å | 1.08Å | |
| C12 | H12 | sing | 1.11Å | 1.08Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C16 | H16A | sing | 1.10Å | 1.10Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| O28 | HO28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C7 | O8 | 121.4° | 122.0° |
| O23 | C7 | C2 | 120.1° | 118.6° |
| O8 | C7 | C2 | 118.6° | 119.4° |
| C7 | O8 | C9 | 117.6° | 122.2° |
| C7 | C2 | C1 | 118.8° | 119.2° |
| C7 | C2 | C3 | 121.4° | 121.1° |
| O8 | C9 | C25 | 107.9° | 111.4° |
| O8 | C9 | C10 | 109.3° | 110.6° |
| O8 | C9 | H9 | 110.6° | 108.4° |
| C25 | C9 | C10 | 109.6° | 110.8° |
| C25 | C9 | H9 | 110.4° | 107.8° |
| C9 | C25 | H25 | 109.5° | 109.5° |
| C9 | C25 | H25A | 109.4° | 109.5° |
| C9 | C25 | H25B | 109.5° | 109.4° |
| C9 | C10 | C11 | 115.2° | 110.6° |
| C10 | C9 | H9 | 108.9° | 107.8° |
| C9 | C10 | H10 | 107.6° | 110.8° |
| C9 | C10 | H10A | 106.3° | 107.6° |
| C10 | C11 | C12 | 111.4° | 127.4° |
| C11 | C10 | H10 | 107.6° | 112.3° |
| C11 | C10 | H10A | 106.3° | 108.1° |
| C10 | C11 | H11 | 124.3° | 116.6° |
| C11 | C12 | C13 | 114.2° | 130.6° |
| C12 | C11 | H11 | 124.3° | 116.0° |
| C11 | C12 | H12 | 122.9° | 114.2° |
| C12 | C13 | C14 | 120.8° | 126.5° |
| C12 | C13 | O24 | 118.7° | 116.8° |
| C13 | C12 | H12 | 122.9° | 115.1° |
| C1 | C2 | C3 | 119.9° | 119.7° |
| C2 | C1 | O20 | 119.7° | 120.7° |
| C2 | C1 | C6 | 121.3° | 119.9° |
| C2 | C3 | C4 | 118.6° | 119.8° |
| C2 | C3 | C18 | 122.0° | 122.7° |
| O20 | C1 | C6 | 119.0° | 119.4° |
| C1 | O20 | HO20 | 109.5° | 114.0° |
| C1 | C6 | C5 | 118.9° | 119.7° |
| C1 | C6 | H6 | 120.5° | 120.1° |
| C6 | C5 | O21 | 120.1° | 119.8° |
| C6 | C5 | C4 | 120.1° | 120.1° |
| C5 | C6 | H6 | 120.6° | 120.2° |
| O21 | C5 | C4 | 119.7° | 120.1° |
| C5 | O21 | C22 | 118.8° | 117.0° |
| C5 | C4 | C3 | 121.2° | 120.8° |
| C5 | C4 | H4 | 119.4° | 119.8° |
| O21 | C22 | H22 | 109.5° | 109.5° |
| O21 | C22 | H22A | 109.5° | 109.4° |
| O21 | C22 | H22B | 109.5° | 109.5° |
| C4 | C3 | C18 | 119.3° | 117.5° |
| C3 | C4 | H4 | 119.4° | 119.4° |
| C3 | C18 | O31 | 117.7° | 113.1° |
| C3 | C18 | C17 | 126.8° | 120.3° |
| C3 | C18 | H18 | 87.4° | 115.6° |
| O31 | C18 | C17 | 57.4° | 58.3° |
| C18 | O31 | C17 | 64.9° | 63.5° |
| O31 | C18 | H18 | 140.3° | 116.8° |
| C18 | C17 | O31 | 57.7° | 58.2° |
| C18 | C17 | C16 | 120.2° | 122.1° |
| C17 | C18 | H18 | 132.3° | 119.6° |
| C18 | C17 | H17 | 134.9° | 118.2° |
| O31 | C17 | C16 | 117.8° | 113.6° |
| O31 | C17 | H17 | 137.0° | 116.3° |
| C17 | C16 | C15 | 109.9° | 112.9° |
| C16 | C17 | H17 | 91.2° | 115.3° |
| C17 | C16 | H16 | 109.3° | 108.6° |
| C17 | C16 | H16A | 109.2° | 109.0° |
| C16 | C15 | O29 | 107.8° | 110.6° |
| C16 | C15 | C14 | 115.1° | 111.1° |
| C15 | C16 | H16 | 109.3° | 109.1° |
| C15 | C16 | H16A | 109.2° | 109.5° |
| C16 | C15 | H15 | 106.8° | 108.8° |
| O29 | C15 | C14 | 109.7° | 109.9° |
| O29 | C15 | H15 | 112.6° | 108.1° |
| C15 | O29 | HO29 | 109.5° | 114.0° |
| C15 | C14 | O28 | 108.9° | 109.3° |
| C15 | C14 | C13 | 115.6° | 109.2° |
| C14 | C15 | H15 | 104.8° | 108.2° |
| C15 | C14 | H14 | 105.8° | 108.7° |
| O28 | C14 | C13 | 110.2° | 109.1° |
| O28 | C14 | H14 | 111.7° | 109.7° |
| C14 | O28 | HO28 | 109.5° | 114.0° |
| C14 | C13 | O24 | 120.4° | 116.6° |
| C13 | C14 | H14 | 104.5° | 110.8° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.4° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H10 | C10 | H10A | 114.0° | 107.2° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.9° | 107.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C7 | O8 | C2 | 178.5° | 179.2° |
| O23 | C7 | O8 | C9 | 8.5° | 6.7° |
| O23 | C7 | C2 | C1 | 7.0° | 168.5° |
| O23 | C7 | C2 | C3 | 174.1° | 12.1° |
| C7 | O8 | C9 | C25 | 79.0° | 57.4° |
| C7 | O8 | C9 | C10 | 161.9° | 66.2° |
| O8 | C7 | C2 | C1 | 171.6° | 12.2° |
| O8 | C7 | C2 | C3 | 7.3° | 167.2° |
| C7 | O8 | C9 | H9 | 41.9° | 175.9° |
| C2 | C7 | O8 | C9 | 173.0° | 172.5° |
| C7 | C2 | C1 | C3 | 178.9° | 179.4° |
| C7 | C2 | C1 | O20 | 0.4° | 0.7° |
| C7 | C2 | C1 | C6 | 179.3° | 179.1° |
| C7 | C2 | C3 | C4 | 179.8° | 178.8° |
| C7 | C2 | C3 | C18 | 2.3° | 1.7° |
| O8 | C9 | C25 | C10 | 119.0° | 123.5° |
| O8 | C9 | C25 | H9 | 121.0° | 118.8° |
| O8 | C9 | C10 | H9 | 121.0° | 118.3° |
| O8 | C9 | C10 | C11 | 66.3° | 146.6° |
| O8 | C9 | C25 | H25 | 123.8° | 59.9° |
| O8 | C9 | C25 | H25A | 3.8° | 180.0° |
| O8 | C9 | C25 | H25B | 116.3° | 60.0° |
| O8 | C9 | C10 | H10 | 173.6° | 21.4° |
| O8 | C9 | C10 | H10A | 51.1° | 95.6° |
| C25 | C9 | C10 | H9 | 120.9° | 117.7° |
| C25 | C9 | C10 | C11 | 175.6° | 22.6° |
| C9 | C25 | H25 | H25A | 120.0° | 120.0° |
| C9 | C25 | H25 | H25B | 120.0° | 119.9° |
| C9 | C25 | H25A | H25B | 120.0° | 119.9° |
| C25 | C9 | C10 | H10 | 55.6° | 102.6° |
| C25 | C9 | C10 | H10A | 67.0° | 140.5° |
| C9 | C10 | C11 | H10 | 120.0° | 124.4° |
| C9 | C10 | C11 | H10A | 117.4° | 117.6° |
| C9 | C10 | C11 | C12 | 164.7° | 121.6° |
| C10 | C9 | C25 | H25 | 117.3° | 63.6° |
| C10 | C9 | C25 | H25A | 122.7° | 56.5° |
| C10 | C9 | C25 | H25B | 2.7° | 176.5° |
| C9 | C10 | H10 | H10A | 117.6° | 117.2° |
| C9 | C10 | C11 | H11 | 15.3° | 59.3° |
| C10 | C11 | C12 | H11 | 180.0° | 179.1° |
| C10 | C11 | C12 | C13 | 62.3° | 0.8° |
| C11 | C10 | C9 | H9 | 54.7° | 95.2° |
| C11 | C10 | H10 | H10A | 117.7° | 118.6° |
| C10 | C11 | C12 | H12 | 117.7° | 179.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 93.6° | 14.2° |
| C11 | C12 | C13 | O24 | 89.4° | 165.8° |
| C12 | C11 | C10 | H10 | 75.3° | 2.8° |
| C12 | C11 | C10 | H10A | 47.3° | 120.8° |
| C12 | C13 | C14 | C15 | 98.7° | 129.8° |
| C12 | C13 | C14 | O28 | 137.3° | 110.8° |
| C12 | C13 | C14 | O24 | 176.9° | 180.0° |
| C13 | C12 | C11 | H11 | 117.7° | 179.9° |
| C12 | C13 | C14 | H14 | 17.1° | 10.1° |
| C2 | C1 | O20 | C6 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.3° |
| C1 | C2 | C3 | C4 | 1.3° | 1.8° |
| C1 | C2 | C3 | C18 | 178.8° | 177.7° |
| C2 | C1 | O20 | HO20 | 104.7° | 90.0° |
| C2 | C1 | C6 | H6 | 179.6° | 179.7° |
| C3 | C2 | C1 | O20 | 179.3° | 178.7° |
| C3 | C2 | C1 | C6 | 0.4° | 1.5° |
| C2 | C3 | C4 | C5 | 1.4° | 0.9° |
| C2 | C3 | C4 | C18 | 177.6° | 179.5° |
| C2 | C3 | C18 | O31 | 143.2° | 152.0° |
| C2 | C3 | C18 | C17 | 148.4° | 86.4° |
| C2 | C3 | C4 | H4 | 178.6° | 178.8° |
| C2 | C3 | C18 | H18 | 4.6° | 69.6° |
| O20 | C1 | C6 | C5 | 179.8° | 179.9° |
| O20 | C1 | C6 | H6 | 0.2° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | O21 | 179.7° | 179.6° |
| C1 | C6 | C5 | C4 | 0.3° | 0.7° |
| C6 | C1 | O20 | HO20 | 75.1° | 90.2° |
| C6 | C5 | O21 | C4 | 179.4° | 179.8° |
| C6 | C5 | O21 | C22 | 124.9° | 0.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.3° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| O21 | C5 | C4 | C3 | 178.8° | 179.9° |
| O21 | C5 | C6 | H6 | 0.3° | 0.4° |
| C5 | O21 | C22 | H22 | 106.8° | 180.0° |
| C5 | O21 | C22 | H22A | 133.2° | 60.0° |
| C5 | O21 | C22 | H22B | 13.2° | 59.9° |
| O21 | C5 | C4 | H4 | 1.2° | 0.2° |
| C4 | C5 | O21 | C22 | 54.5° | 179.8° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | C18 | 179.0° | 178.6° |
| C4 | C5 | C6 | H6 | 179.7° | 179.4° |
| O21 | C22 | H22 | H22A | 120.0° | 119.9° |
| O21 | C22 | H22 | H22B | 120.0° | 120.1° |
| O21 | C22 | H22A | H22B | 120.0° | 120.0° |
| C4 | C3 | C18 | O31 | 34.4° | 27.5° |
| C4 | C3 | C18 | C17 | 34.0° | 93.1° |
| C4 | C3 | C18 | H18 | 177.8° | 110.8° |
| C3 | C18 | O31 | C17 | 117.9° | 112.4° |
| C3 | C18 | O31 | H18 | 123.5° | 137.8° |
| C3 | C18 | C17 | H18 | 127.2° | 155.1° |
| C3 | C18 | C17 | C16 | 152.2° | 160.4° |
| C18 | C3 | C4 | H4 | 1.0° | 1.7° |
| C3 | C18 | C17 | H17 | 24.3° | 5.0° |
| O31 | C18 | C17 | H18 | 130.8° | 104.9° |
| O31 | C18 | C17 | C16 | 105.7° | 99.6° |
| O31 | C18 | C17 | H17 | 126.4° | 105.0° |
| C18 | C17 | C16 | H17 | 146.1° | 156.0° |
| C18 | C17 | C16 | C15 | 94.1° | 63.7° |
| C18 | C17 | C16 | H16 | 25.9° | 57.4° |
| C18 | C17 | C16 | H16A | 146.1° | 174.3° |
| O31 | C17 | C16 | H17 | 147.0° | 137.8° |
| O31 | C17 | C16 | C15 | 161.0° | 129.9° |
| O31 | C17 | C16 | H16 | 41.0° | 8.8° |
| O31 | C17 | C16 | H16A | 79.2° | 108.1° |
| C17 | C16 | C15 | H16 | 120.0° | 120.9° |
| C17 | C16 | C15 | H16A | 119.8° | 121.7° |
| C17 | C16 | C15 | O29 | 76.2° | 64.6° |
| C17 | C16 | C15 | C14 | 161.0° | 57.7° |
| C16 | C17 | C18 | H18 | 25.1° | 5.3° |
| C17 | C16 | H16 | H16A | 119.8° | 117.8° |
| C17 | C16 | C15 | H15 | 45.0° | 176.8° |
| C16 | C15 | O29 | C14 | 126.1° | 123.1° |
| C16 | C15 | O29 | H15 | 117.6° | 119.0° |
| C16 | C15 | C14 | H15 | 117.1° | 119.4° |
| C16 | C15 | C14 | O28 | 69.8° | 35.3° |
| C16 | C15 | C14 | C13 | 54.9° | 154.6° |
| C15 | C16 | C17 | H17 | 52.0° | 92.3° |
| C15 | C16 | H16 | H16A | 119.8° | 118.7° |
| C16 | C15 | O29 | HO29 | 29.2° | 180.0° |
| C16 | C15 | C14 | H14 | 169.9° | 84.4° |
| O29 | C15 | C14 | H15 | 121.1° | 117.9° |
| O29 | C15 | C14 | O28 | 52.0° | 158.0° |
| O29 | C15 | C14 | C13 | 176.7° | 82.6° |
| O29 | C15 | C16 | H16 | 163.8° | 56.2° |
| O29 | C15 | C16 | H16A | 43.6° | 173.6° |
| O29 | C15 | C14 | H14 | 68.2° | 38.4° |
| C15 | C14 | O28 | C13 | 127.8° | 119.4° |
| C15 | C14 | O28 | H14 | 116.5° | 119.1° |
| C15 | C14 | C13 | H14 | 115.8° | 119.7° |
| C15 | C14 | C13 | O24 | 84.4° | 50.2° |
| C14 | C15 | C16 | H16 | 41.0° | 178.6° |
| C14 | C15 | C16 | H16A | 79.2° | 64.0° |
| C14 | C15 | O29 | HO29 | 96.9° | 56.9° |
| C15 | C14 | O28 | HO28 | 87.7° | 180.0° |
| O28 | C14 | C13 | H14 | 120.1° | 120.8° |
| O28 | C14 | C13 | O24 | 39.7° | 69.2° |
| O28 | C14 | C15 | H15 | 173.1° | 84.1° |
| C14 | C13 | C12 | H12 | 86.4° | 165.8° |
| C13 | C14 | C15 | H15 | 62.2° | 35.2° |
| C13 | C14 | O28 | HO28 | 40.1° | 60.6° |
| O24 | C13 | C12 | H12 | 90.6° | 14.2° |
| O24 | C13 | C14 | H14 | 159.8° | 170.0° |
| H9 | C9 | C25 | H25 | 2.8° | 178.7° |
| H9 | C9 | C25 | H25A | 117.2° | 61.2° |
| H9 | C9 | C25 | H25B | 122.7° | 58.8° |
| H9 | C9 | C10 | H10 | 65.3° | 139.6° |
| H9 | C9 | C10 | H10A | 172.1° | 22.7° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 104.7° | 176.3° |
| H10A | C10 | C11 | H11 | 132.7° | 58.3° |
| H11 | C11 | C12 | H12 | 62.3° | 0.1° |
| H22 | C22 | H22A | H22B | 120.0° | 120.1° |
| H18 | C18 | C17 | H17 | 102.9° | 150.0° |
| H17 | C17 | C16 | H16 | 172.0° | 146.6° |
| H17 | C17 | C16 | H16A | 67.8° | 29.7° |
| H16 | C16 | C15 | H15 | 74.9° | 62.3° |
| H16A | C16 | C15 | H15 | 164.8° | 55.1° |
| H15 | C15 | O29 | HO29 | 146.7° | 61.0° |
| H15 | C15 | C14 | H14 | 52.9° | 156.2° |
| H14 | C14 | O28 | HO28 | 155.7° | 60.9° |
