A1MHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C17 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C4 | C10 | sing | 1.51Å | 1.43Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O8 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.42Å | |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.53Å | 1.53Å | |
| C7 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C15 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | O9 | sing | 1.36Å | 1.37Å | |
| O9 | C16 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H6T | sing | 1.09Å | 1.10Å | |
| C11 | H6U | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H6R | sing | 1.09Å | 1.10Å | |
| C12 | H6S | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H2A | sing | 1.09Å | 1.10Å | |
| C13 | H2B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H6L | sing | 1.09Å | 1.10Å | |
| C16 | H6M | sing | 1.09Å | 1.10Å | |
| C16 | H6N | sing | 1.09Å | 1.10Å | |
| C17 | H6O | sing | 1.09Å | 1.10Å | |
| C17 | H6P | sing | 1.09Å | 1.10Å | |
| C17 | H6Q | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C10 | C12 | 108.1° | 109.5° |
| C17 | C10 | C11 | 107.5° | 109.5° |
| C17 | C10 | C4 | 113.5° | 109.5° |
| C10 | C17 | H6O | 109.5° | 109.4° |
| C10 | C17 | H6P | 109.5° | 109.5° |
| C10 | C17 | H6Q | 109.5° | 109.4° |
| C12 | C10 | C11 | 109.6° | 109.5° |
| C12 | C10 | C4 | 109.8° | 109.5° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| C10 | C12 | H6R | 109.5° | 109.4° |
| C10 | C12 | H6S | 109.5° | 109.4° |
| C11 | C10 | C4 | 108.3° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C10 | C11 | H6T | 109.5° | 109.5° |
| C10 | C11 | H6U | 109.5° | 109.5° |
| C10 | C4 | C3 | 120.1° | 120.0° |
| C10 | C4 | C5 | 123.0° | 120.0° |
| C3 | C4 | C5 | 116.8° | 120.0° |
| C4 | C3 | C2 | 122.5° | 120.0° |
| C4 | C3 | H3 | 118.7° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C4 | C5 | O9 | 116.7° | 120.0° |
| C3 | C2 | O8 | 120.7° | 120.0° |
| C3 | C2 | C1 | 120.9° | 120.0° |
| C2 | C3 | H3 | 118.8° | 120.0° |
| O8 | C2 | C1 | 118.4° | 120.0° |
| C2 | O8 | H8 | 109.5° | 114.0° |
| C2 | C1 | C7 | 123.2° | 120.0° |
| C2 | C1 | C6 | 116.6° | 120.0° |
| C7 | C1 | C6 | 120.2° | 120.0° |
| C1 | C7 | C14 | 109.0° | 109.4° |
| C1 | C7 | C13 | 112.0° | 109.5° |
| C1 | C7 | C15 | 111.9° | 109.4° |
| C1 | C6 | C5 | 122.6° | 120.0° |
| C1 | C6 | H6 | 118.7° | 120.0° |
| C14 | C7 | C13 | 107.3° | 109.5° |
| C14 | C7 | C15 | 108.4° | 109.5° |
| C7 | C14 | H14 | 109.5° | 109.4° |
| C7 | C14 | H18 | 109.5° | 109.5° |
| C7 | C14 | H19 | 109.5° | 109.4° |
| C13 | C7 | C15 | 108.1° | 109.5° |
| C7 | C13 | H13 | 109.5° | 109.5° |
| C7 | C13 | H2A | 109.5° | 109.4° |
| C7 | C13 | H2B | 109.5° | 109.5° |
| C7 | C15 | H15 | 109.5° | 109.5° |
| C7 | C15 | H16 | 109.5° | 109.4° |
| C7 | C15 | H17 | 109.4° | 109.5° |
| C6 | C5 | O9 | 122.8° | 120.0° |
| C5 | C6 | H6 | 118.7° | 120.0° |
| C5 | O9 | C16 | 116.5° | 117.0° |
| O9 | C16 | H6L | 109.5° | 109.5° |
| O9 | C16 | H6M | 109.5° | 109.5° |
| O9 | C16 | H6N | 109.5° | 109.5° |
| H11 | C11 | H6T | 109.5° | 109.4° |
| H11 | C11 | H6U | 109.5° | 109.5° |
| H6T | C11 | H6U | 109.4° | 109.5° |
| H12 | C12 | H6R | 109.5° | 109.5° |
| H12 | C12 | H6S | 109.5° | 109.5° |
| H6R | C12 | H6S | 109.5° | 109.5° |
| H13 | C13 | H2A | 109.5° | 109.4° |
| H13 | C13 | H2B | 109.4° | 109.5° |
| H2A | C13 | H2B | 109.5° | 109.5° |
| H14 | C14 | H18 | 109.5° | 109.5° |
| H14 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H6L | C16 | H6M | 109.4° | 109.4° |
| H6L | C16 | H6N | 109.5° | 109.5° |
| H6M | C16 | H6N | 109.5° | 109.5° |
| H6O | C17 | H6P | 109.5° | 109.5° |
| H6O | C17 | H6Q | 109.5° | 109.5° |
| H6P | C17 | H6Q | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C10 | C12 | C11 | 116.9° | 120.0° |
| C17 | C10 | C12 | C4 | 124.3° | 120.0° |
| C17 | C10 | C11 | C4 | 123.0° | 120.0° |
| C17 | C10 | C4 | C3 | 127.2° | 0.0° |
| C17 | C10 | C4 | C5 | 54.1° | 180.0° |
| C17 | C10 | C11 | H11 | 180.0° | 180.0° |
| C17 | C10 | C11 | H6T | 60.0° | 60.0° |
| C17 | C10 | C11 | H6U | 60.0° | 60.1° |
| C17 | C10 | C12 | H12 | 180.0° | 60.0° |
| C17 | C10 | C12 | H6R | 60.0° | 60.0° |
| C17 | C10 | C12 | H6S | 60.0° | 180.0° |
| C10 | C17 | H6O | H6P | 120.0° | 120.0° |
| C10 | C17 | H6O | H6Q | 120.0° | 119.9° |
| C10 | C17 | H6P | H6Q | 120.0° | 120.0° |
| C12 | C10 | C11 | C4 | 119.7° | 120.0° |
| C12 | C10 | C4 | C3 | 111.7° | 120.0° |
| C12 | C10 | C4 | C5 | 67.0° | 60.0° |
| C12 | C10 | C11 | H11 | 62.7° | 60.0° |
| C12 | C10 | C11 | H6T | 177.3° | 60.0° |
| C12 | C10 | C11 | H6U | 57.3° | 180.0° |
| C10 | C12 | H12 | H6R | 120.0° | 120.0° |
| C10 | C12 | H12 | H6S | 120.0° | 120.0° |
| C10 | C12 | H6R | H6S | 120.0° | 120.0° |
| C12 | C10 | C17 | H6O | 180.0° | 180.0° |
| C12 | C10 | C17 | H6P | 60.0° | 60.0° |
| C12 | C10 | C17 | H6Q | 60.0° | 60.0° |
| C11 | C10 | C4 | C3 | 7.9° | 120.0° |
| C11 | C10 | C4 | C5 | 173.3° | 60.0° |
| C10 | C11 | H11 | H6T | 120.0° | 120.0° |
| C10 | C11 | H11 | H6U | 120.0° | 120.0° |
| C10 | C11 | H6T | H6U | 120.0° | 120.0° |
| C11 | C10 | C12 | H12 | 63.1° | 179.9° |
| C11 | C10 | C12 | H6R | 56.9° | 60.0° |
| C11 | C10 | C12 | H6S | 176.9° | 60.0° |
| C11 | C10 | C17 | H6O | 61.8° | 60.1° |
| C11 | C10 | C17 | H6P | 178.2° | 59.9° |
| C11 | C10 | C17 | H6Q | 58.2° | 180.0° |
| C10 | C4 | C3 | C5 | 178.8° | 180.0° |
| C10 | C4 | C3 | C2 | 179.3° | 180.0° |
| C10 | C4 | C5 | C6 | 179.2° | 179.5° |
| C10 | C4 | C5 | O9 | 0.7° | 0.0° |
| C4 | C10 | C11 | H11 | 57.0° | 60.0° |
| C4 | C10 | C11 | H6T | 63.0° | 180.0° |
| C4 | C10 | C11 | H6U | 177.0° | 59.9° |
| C4 | C10 | C12 | H12 | 55.7° | 60.0° |
| C4 | C10 | C12 | H6R | 175.7° | 180.0° |
| C4 | C10 | C12 | H6S | 64.3° | 60.0° |
| C4 | C10 | C17 | H6O | 58.0° | 60.0° |
| C4 | C10 | C17 | H6P | 62.0° | 180.0° |
| C4 | C10 | C17 | H6Q | 178.0° | 60.0° |
| C10 | C4 | C3 | H3 | 0.8° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | O8 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.2° |
| C3 | C4 | C5 | C6 | 0.4° | 0.5° |
| C3 | C4 | C5 | O9 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.8° |
| C4 | C5 | C6 | O9 | 179.8° | 179.5° |
| C4 | C5 | O9 | C16 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C3 | C2 | O8 | C1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C7 | 179.7° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C2 | O8 | H8 | 180.0° | 90.0° |
| O8 | C2 | C1 | C7 | 0.3° | 0.2° |
| O8 | C2 | C1 | C6 | 179.9° | 179.7° |
| O8 | C2 | C3 | H3 | 0.2° | 0.0° |
| C2 | C1 | C7 | C6 | 179.6° | 179.9° |
| C2 | C1 | C7 | C14 | 179.1° | 180.0° |
| C2 | C1 | C7 | C13 | 62.2° | 60.0° |
| C2 | C1 | C7 | C15 | 59.3° | 60.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.6° |
| C2 | C1 | C6 | H6 | 179.9° | 179.8° |
| C1 | C2 | C3 | H3 | 179.8° | 179.8° |
| C1 | C2 | O8 | H8 | 0.0° | 89.8° |
| C1 | C7 | C14 | C13 | 121.5° | 120.0° |
| C1 | C7 | C14 | C15 | 122.0° | 119.9° |
| C1 | C7 | C13 | C15 | 123.7° | 120.0° |
| C7 | C1 | C6 | C5 | 179.7° | 179.5° |
| C7 | C1 | C6 | H6 | 0.3° | 0.2° |
| C1 | C7 | C13 | H13 | 180.0° | 180.0° |
| C1 | C7 | C13 | H2A | 60.0° | 60.0° |
| C1 | C7 | C13 | H2B | 60.0° | 60.0° |
| C1 | C7 | C14 | H14 | 180.0° | 60.1° |
| C1 | C7 | C14 | H18 | 60.0° | 60.0° |
| C1 | C7 | C14 | H19 | 60.0° | 180.0° |
| C1 | C7 | C15 | H15 | 180.0° | 60.0° |
| C1 | C7 | C15 | H16 | 60.0° | 60.1° |
| C1 | C7 | C15 | H17 | 60.0° | 180.0° |
| C6 | C1 | C7 | C14 | 1.2° | 0.0° |
| C6 | C1 | C7 | C13 | 117.4° | 120.0° |
| C6 | C1 | C7 | C15 | 121.1° | 120.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.3° |
| C1 | C6 | C5 | O9 | 179.6° | 179.7° |
| C14 | C7 | C13 | C15 | 116.7° | 120.0° |
| C14 | C7 | C13 | H13 | 60.4° | 60.1° |
| C14 | C7 | C13 | H2A | 59.6° | 180.0° |
| C14 | C7 | C13 | H2B | 179.6° | 60.0° |
| C7 | C14 | H14 | H18 | 120.0° | 120.1° |
| C7 | C14 | H14 | H19 | 120.0° | 119.9° |
| C7 | C14 | H18 | H19 | 120.0° | 119.9° |
| C14 | C7 | C15 | H15 | 59.8° | 59.9° |
| C14 | C7 | C15 | H16 | 179.8° | 180.0° |
| C14 | C7 | C15 | H17 | 60.2° | 60.1° |
| C7 | C13 | H13 | H2A | 120.0° | 119.9° |
| C7 | C13 | H13 | H2B | 120.0° | 120.0° |
| C7 | C13 | H2A | H2B | 120.0° | 120.0° |
| C13 | C7 | C14 | H14 | 58.4° | 59.9° |
| C13 | C7 | C14 | H18 | 178.5° | 180.0° |
| C13 | C7 | C14 | H19 | 61.6° | 60.0° |
| C13 | C7 | C15 | H15 | 56.2° | 180.0° |
| C13 | C7 | C15 | H16 | 63.8° | 60.0° |
| C13 | C7 | C15 | H17 | 176.2° | 60.0° |
| C15 | C7 | C13 | H13 | 56.2° | 60.0° |
| C15 | C7 | C13 | H2A | 176.3° | 60.0° |
| C15 | C7 | C13 | H2B | 63.7° | 180.0° |
| C15 | C7 | C14 | H14 | 58.0° | 180.0° |
| C15 | C7 | C14 | H18 | 62.0° | 59.9° |
| C15 | C7 | C14 | H19 | 178.0° | 60.0° |
| C7 | C15 | H15 | H16 | 120.0° | 120.0° |
| C7 | C15 | H15 | H17 | 120.0° | 120.0° |
| C7 | C15 | H16 | H17 | 120.0° | 120.0° |
| C6 | C5 | O9 | C16 | 0.3° | 0.5° |
| O9 | C5 | C6 | H6 | 0.4° | 0.5° |
| C5 | O9 | C16 | H6L | 180.0° | 180.0° |
| C5 | O9 | C16 | H6M | 60.0° | 60.0° |
| C5 | O9 | C16 | H6N | 60.0° | 60.0° |
| O9 | C16 | H6L | H6M | 120.0° | 120.0° |
| O9 | C16 | H6L | H6N | 120.0° | 120.1° |
| O9 | C16 | H6M | H6N | 120.0° | 120.0° |
| H11 | C11 | H6T | H6U | 120.0° | 120.0° |
| H12 | C12 | H6R | H6S | 120.0° | 120.1° |
| H13 | C13 | H2A | H2B | 120.0° | 120.0° |
| H14 | C14 | H18 | H19 | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H6L | C16 | H6M | H6N | 120.0° | 120.0° |
| H6O | C17 | H6P | H6Q | 120.0° | 120.1° |
