A1MHO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.42Å | |
| C9 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.37Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.35Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H6L | sing | 1.09Å | 1.10Å | |
| C11 | H6M | sing | 1.09Å | 1.10Å | |
| C11 | H6N | sing | 1.09Å | 1.10Å | |
| C12 | H6O | sing | 1.09Å | 1.10Å | |
| C12 | H6P | sing | 1.09Å | 1.10Å | |
| C12 | H6Q | sing | 1.09Å | 1.10Å | |
| C13 | H6R | sing | 1.09Å | 1.10Å | |
| C13 | H6S | sing | 1.09Å | 1.10Å | |
| C13 | H6T | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C12 | 105.6° | 109.4° |
| C11 | C10 | C13 | 108.7° | 109.5° |
| C11 | C10 | C9 | 109.5° | 109.5° |
| C10 | C11 | H6L | 109.5° | 109.5° |
| C10 | C11 | H6M | 109.4° | 109.5° |
| C10 | C11 | H6N | 109.4° | 109.4° |
| C12 | C10 | C13 | 110.5° | 109.5° |
| C12 | C10 | C9 | 112.3° | 109.5° |
| C10 | C12 | H6O | 109.5° | 109.5° |
| C10 | C12 | H6P | 109.5° | 109.5° |
| C10 | C12 | H6Q | 109.5° | 109.5° |
| C13 | C10 | C9 | 110.2° | 109.5° |
| C10 | C13 | H6R | 109.5° | 109.5° |
| C10 | C13 | H6S | 109.5° | 109.5° |
| C10 | C13 | H6T | 109.5° | 109.5° |
| C10 | C9 | C14 | 120.0° | 120.0° |
| C10 | C9 | C8 | 123.9° | 120.1° |
| C14 | C9 | C8 | 116.1° | 120.0° |
| C9 | C14 | C5 | 120.5° | 120.2° |
| C9 | C14 | H14 | 119.8° | 119.9° |
| C9 | C8 | C7 | 123.4° | 119.9° |
| C9 | C8 | O2 | 119.3° | 120.0° |
| C14 | C5 | C2 | 119.9° | 120.0° |
| C14 | C5 | C6 | 122.4° | 120.1° |
| C5 | C14 | H14 | 119.8° | 119.9° |
| C2 | C5 | C6 | 117.7° | 119.9° |
| C5 | C2 | C3 | 108.5° | 109.5° |
| C5 | C2 | C4 | 109.4° | 109.5° |
| C5 | C2 | C1 | 109.0° | 109.5° |
| C5 | C6 | C7 | 118.0° | 120.0° |
| C5 | C6 | H6 | 121.0° | 120.0° |
| C3 | C2 | C4 | 109.7° | 109.4° |
| C3 | C2 | C1 | 111.2° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.4° |
| C2 | C3 | H33 | 109.5° | 109.6° |
| C4 | C2 | C1 | 109.0° | 109.5° |
| C2 | C4 | H41 | 109.5° | 109.5° |
| C2 | C4 | H42 | 109.5° | 109.5° |
| C2 | C4 | H43 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C6 | C7 | O1 | 121.4° | 120.1° |
| C6 | C7 | C8 | 119.6° | 119.8° |
| C7 | C6 | H6 | 121.0° | 120.0° |
| O1 | C7 | C8 | 119.1° | 120.1° |
| C7 | O1 | H15 | 109.5° | 114.0° |
| C7 | C8 | O2 | 117.3° | 120.1° |
| C8 | O2 | H2 | 109.5° | 114.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.4° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.4° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H6L | C11 | H6M | 109.5° | 109.5° |
| H6L | C11 | H6N | 109.5° | 109.5° |
| H6M | C11 | H6N | 109.5° | 109.5° |
| H6O | C12 | H6P | 109.4° | 109.4° |
| H6O | C12 | H6Q | 109.4° | 109.5° |
| H6P | C12 | H6Q | 109.5° | 109.5° |
| H6R | C13 | H6S | 109.5° | 109.4° |
| H6R | C13 | H6T | 109.5° | 109.5° |
| H6S | C13 | H6T | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C12 | C13 | 117.4° | 120.0° |
| C11 | C10 | C12 | C9 | 119.2° | 120.0° |
| C11 | C10 | C13 | C9 | 120.0° | 120.1° |
| C11 | C10 | C9 | C14 | 2.2° | 0.0° |
| C11 | C10 | C9 | C8 | 178.3° | 180.0° |
| C10 | C11 | H6L | H6M | 120.0° | 120.0° |
| C10 | C11 | H6L | H6N | 120.0° | 120.0° |
| C10 | C11 | H6M | H6N | 119.9° | 120.0° |
| C11 | C10 | C12 | H6O | 180.0° | 180.0° |
| C11 | C10 | C12 | H6P | 60.0° | 60.0° |
| C11 | C10 | C12 | H6Q | 60.0° | 60.0° |
| C11 | C10 | C13 | H6R | 180.0° | 60.0° |
| C11 | C10 | C13 | H6S | 60.0° | 60.0° |
| C11 | C10 | C13 | H6T | 60.0° | 180.0° |
| C12 | C10 | C13 | C9 | 124.6° | 120.0° |
| C12 | C10 | C9 | C14 | 119.1° | 120.0° |
| C12 | C10 | C9 | C8 | 61.3° | 60.0° |
| C12 | C10 | C11 | H6L | 180.0° | 60.0° |
| C12 | C10 | C11 | H6M | 60.0° | 60.0° |
| C12 | C10 | C11 | H6N | 60.0° | 180.0° |
| C10 | C12 | H6O | H6P | 120.0° | 120.0° |
| C10 | C12 | H6O | H6Q | 120.0° | 120.0° |
| C10 | C12 | H6P | H6Q | 120.0° | 120.0° |
| C12 | C10 | C13 | H6R | 64.6° | 180.0° |
| C12 | C10 | C13 | H6S | 175.4° | 60.0° |
| C12 | C10 | C13 | H6T | 55.4° | 60.0° |
| C13 | C10 | C9 | C14 | 117.4° | 120.0° |
| C13 | C10 | C9 | C8 | 62.2° | 60.0° |
| C13 | C10 | C11 | H6L | 61.4° | 180.0° |
| C13 | C10 | C11 | H6M | 178.5° | 60.0° |
| C13 | C10 | C11 | H6N | 58.6° | 60.0° |
| C13 | C10 | C12 | H6O | 62.6° | 60.0° |
| C13 | C10 | C12 | H6P | 57.4° | 60.0° |
| C13 | C10 | C12 | H6Q | 177.4° | 180.0° |
| C10 | C13 | H6R | H6S | 120.0° | 120.0° |
| C10 | C13 | H6R | H6T | 120.0° | 120.0° |
| C10 | C13 | H6S | H6T | 120.0° | 120.0° |
| C10 | C9 | C14 | C8 | 179.6° | 180.0° |
| C10 | C9 | C14 | C5 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 179.9° | 179.9° |
| C10 | C9 | C8 | O2 | 0.4° | 0.0° |
| C9 | C10 | C11 | H6L | 59.0° | 60.0° |
| C9 | C10 | C11 | H6M | 61.1° | 180.0° |
| C9 | C10 | C11 | H6N | 179.0° | 60.0° |
| C9 | C10 | C12 | H6O | 60.8° | 60.0° |
| C9 | C10 | C12 | H6P | 179.2° | 179.9° |
| C9 | C10 | C12 | H6Q | 59.2° | 60.0° |
| C9 | C10 | C13 | H6R | 60.0° | 60.0° |
| C9 | C10 | C13 | H6S | 60.0° | 180.0° |
| C9 | C10 | C13 | H6T | 179.9° | 60.0° |
| C10 | C9 | C14 | H14 | 0.0° | 0.3° |
| C9 | C14 | C5 | H14 | 180.0° | 179.6° |
| C9 | C14 | C5 | C2 | 179.9° | 179.7° |
| C9 | C14 | C5 | C6 | 0.3° | 0.0° |
| C14 | C9 | C8 | C7 | 0.3° | 0.0° |
| C14 | C9 | C8 | O2 | 180.0° | 180.0° |
| C8 | C9 | C14 | C5 | 0.4° | 0.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.1° |
| C9 | C8 | C7 | O1 | 179.6° | 180.0° |
| C9 | C8 | C7 | O2 | 179.6° | 180.0° |
| C9 | C8 | O2 | H2 | 180.0° | 90.1° |
| C8 | C9 | C14 | H14 | 179.6° | 179.7° |
| C14 | C5 | C2 | C6 | 179.8° | 179.8° |
| C14 | C5 | C2 | C3 | 77.7° | 60.0° |
| C14 | C5 | C2 | C4 | 41.9° | 60.0° |
| C14 | C5 | C2 | C1 | 161.0° | 180.0° |
| C14 | C5 | C6 | C7 | 0.2° | 0.1° |
| C14 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C2 | C3 | C4 | 119.5° | 120.0° |
| C5 | C2 | C3 | C1 | 119.9° | 120.0° |
| C5 | C2 | C4 | C1 | 119.1° | 120.0° |
| C2 | C5 | C6 | C7 | 180.0° | 179.7° |
| C5 | C2 | C1 | H11 | 180.0° | 60.0° |
| C5 | C2 | C1 | H12 | 60.0° | 60.0° |
| C5 | C2 | C1 | H13 | 60.0° | 180.0° |
| C5 | C2 | C3 | H31 | 180.0° | 59.9° |
| C5 | C2 | C3 | H32 | 60.0° | 60.0° |
| C5 | C2 | C3 | H33 | 60.0° | 180.0° |
| C5 | C2 | C4 | H41 | 180.0° | 180.0° |
| C5 | C2 | C4 | H42 | 60.0° | 60.0° |
| C5 | C2 | C4 | H43 | 60.0° | 60.0° |
| C2 | C5 | C6 | H6 | 0.0° | 0.3° |
| C2 | C5 | C14 | H14 | 0.1° | 0.1° |
| C6 | C5 | C2 | C3 | 102.0° | 119.8° |
| C6 | C5 | C2 | C4 | 138.3° | 120.3° |
| C6 | C5 | C2 | C1 | 19.2° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | O1 | 179.7° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C5 | C14 | H14 | 179.7° | 179.7° |
| C3 | C2 | C4 | C1 | 121.9° | 120.0° |
| C3 | C2 | C1 | H11 | 60.3° | 60.0° |
| C3 | C2 | C1 | H12 | 59.7° | 179.9° |
| C3 | C2 | C1 | H13 | 179.6° | 60.0° |
| C2 | C3 | H31 | H32 | 120.0° | 119.9° |
| C2 | C3 | H31 | H33 | 120.0° | 120.1° |
| C2 | C3 | H32 | H33 | 120.0° | 120.1° |
| C3 | C2 | C4 | H41 | 61.0° | 60.0° |
| C3 | C2 | C4 | H42 | 179.0° | 180.0° |
| C3 | C2 | C4 | H43 | 58.9° | 60.0° |
| C4 | C2 | C1 | H11 | 60.7° | 180.0° |
| C4 | C2 | C1 | H12 | 179.3° | 60.0° |
| C4 | C2 | C1 | H13 | 59.4° | 60.0° |
| C4 | C2 | C3 | H31 | 60.5° | 60.1° |
| C4 | C2 | C3 | H32 | 59.5° | 180.0° |
| C4 | C2 | C3 | H33 | 179.5° | 60.0° |
| C2 | C4 | H41 | H42 | 120.0° | 120.0° |
| C2 | C4 | H41 | H43 | 120.0° | 120.0° |
| C2 | C4 | H42 | H43 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | H31 | 60.1° | 179.9° |
| C1 | C2 | C3 | H32 | 179.9° | 60.0° |
| C1 | C2 | C3 | H33 | 60.0° | 60.0° |
| C1 | C2 | C4 | H41 | 60.9° | 60.0° |
| C1 | C2 | C4 | H42 | 59.1° | 60.0° |
| C1 | C2 | C4 | H43 | 179.1° | 180.0° |
| C6 | C7 | O1 | C8 | 179.9° | 179.9° |
| C6 | C7 | C8 | O2 | 179.9° | 180.0° |
| C6 | C7 | O1 | H15 | 180.0° | 90.0° |
| O1 | C7 | C8 | O2 | 0.0° | 0.1° |
| O1 | C7 | C6 | H6 | 0.3° | 0.0° |
| C8 | C7 | O1 | H15 | 0.1° | 90.1° |
| C7 | C8 | O2 | H2 | 0.4° | 89.9° |
| C8 | C7 | C6 | H6 | 179.8° | 179.9° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| H6L | C11 | H6M | H6N | 120.0° | 120.0° |
| H6O | C12 | H6P | H6Q | 119.9° | 120.0° |
| H6R | C13 | H6S | H6T | 120.0° | 119.9° |
