A1MHM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C03 | sing | 1.51Å | 1.44Å | |
| C06 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.36Å | |
| C08 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C14 | sing | 1.51Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C02 | H05 | sing | 1.09Å | 1.10Å | |
| C04 | H06 | sing | 1.09Å | 1.10Å | |
| C04 | H07 | sing | 1.09Å | 1.10Å | |
| C04 | H08 | sing | 1.09Å | 1.10Å | |
| C05 | H09 | sing | 1.09Å | 1.10Å | |
| C05 | H1A | sing | 1.09Å | 1.10Å | |
| C05 | H1B | sing | 1.09Å | 1.10Å | |
| C07 | H1C | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H2A | sing | 1.09Å | 1.10Å | |
| C17 | H2B | sing | 1.09Å | 1.10Å | |
| C17 | H2C | sing | 1.09Å | 1.10Å | |
| C18 | H2D | sing | 1.09Å | 1.10Å | |
| C18 | H2E | sing | 1.09Å | 1.10Å | |
| C18 | H2F | sing | 1.09Å | 1.10Å | |
| O09 | H2G | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 110.4° | 109.5° |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H02 | 109.5° | 109.5° |
| C02 | C01 | H03 | 109.5° | 109.5° |
| C01 | C02 | H04 | 109.2° | 109.5° |
| C01 | C02 | H05 | 109.2° | 109.5° |
| C02 | C03 | C04 | 108.8° | 109.5° |
| C02 | C03 | C05 | 108.9° | 109.5° |
| C02 | C03 | C06 | 110.8° | 109.4° |
| C03 | C02 | H04 | 109.2° | 109.5° |
| C03 | C02 | H05 | 109.2° | 109.5° |
| C04 | C03 | C05 | 109.3° | 109.5° |
| C04 | C03 | C06 | 109.5° | 109.4° |
| C03 | C04 | H06 | 109.5° | 109.5° |
| C03 | C04 | H07 | 109.5° | 109.5° |
| C03 | C04 | H08 | 109.5° | 109.5° |
| C05 | C03 | C06 | 109.6° | 109.5° |
| C03 | C05 | H09 | 109.5° | 109.5° |
| C03 | C05 | H1A | 109.5° | 109.4° |
| C03 | C05 | H1B | 109.4° | 109.5° |
| C03 | C06 | C12 | 121.2° | 120.0° |
| C03 | C06 | C07 | 120.7° | 120.0° |
| C12 | C06 | C07 | 117.9° | 120.0° |
| C06 | C12 | C11 | 121.9° | 120.0° |
| C06 | C12 | O13 | 116.0° | 120.0° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C06 | C07 | H1C | 120.0° | 120.0° |
| C11 | C12 | O13 | 122.0° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C12 | O13 | H13 | 109.5° | 113.9° |
| C11 | C10 | C08 | 118.1° | 120.0° |
| C11 | C10 | C14 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C07 | C08 | O09 | 122.0° | 120.0° |
| C07 | C08 | C10 | 121.9° | 120.0° |
| C08 | C07 | H1C | 120.0° | 120.0° |
| O09 | C08 | C10 | 116.0° | 120.0° |
| C08 | O09 | H2G | 109.5° | 114.0° |
| C08 | C10 | C14 | 121.7° | 120.0° |
| C10 | C14 | C15 | 109.3° | 109.5° |
| C10 | C14 | C16 | 109.7° | 109.5° |
| C10 | C14 | C17 | 110.6° | 109.4° |
| C15 | C14 | C16 | 109.1° | 109.5° |
| C15 | C14 | C17 | 108.8° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H16 | 109.4° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C16 | C14 | C17 | 109.4° | 109.5° |
| C14 | C16 | H18 | 109.5° | 109.5° |
| C14 | C16 | H19 | 109.4° | 109.5° |
| C14 | C16 | H2A | 109.5° | 109.5° |
| C14 | C17 | C18 | 109.9° | 109.5° |
| C14 | C17 | H2B | 109.4° | 109.5° |
| C14 | C17 | H2C | 109.4° | 109.5° |
| C18 | C17 | H2B | 109.4° | 109.5° |
| C18 | C17 | H2C | 109.4° | 109.5° |
| C17 | C18 | H2D | 109.5° | 109.5° |
| C17 | C18 | H2E | 109.5° | 109.5° |
| C17 | C18 | H2F | 109.5° | 109.5° |
| H01 | C01 | H02 | 109.5° | 109.4° |
| H01 | C01 | H03 | 109.5° | 109.5° |
| H02 | C01 | H03 | 109.5° | 109.4° |
| H04 | C02 | H05 | 109.5° | 109.5° |
| H06 | C04 | H07 | 109.4° | 109.5° |
| H06 | C04 | H08 | 109.5° | 109.4° |
| H07 | C04 | H08 | 109.5° | 109.5° |
| H09 | C05 | H1A | 109.5° | 109.5° |
| H09 | C05 | H1B | 109.5° | 109.5° |
| H1A | C05 | H1B | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H2A | 109.4° | 109.5° |
| H19 | C16 | H2A | 109.5° | 109.4° |
| H2B | C17 | H2C | 109.5° | 109.5° |
| H2D | C18 | H2E | 109.5° | 109.5° |
| H2D | C18 | H2F | 109.5° | 109.4° |
| H2E | C18 | H2F | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H04 | 120.2° | 120.0° |
| C01 | C02 | C03 | H05 | 120.1° | 120.0° |
| C01 | C02 | C03 | C04 | 48.8° | 60.0° |
| C01 | C02 | C03 | C05 | 167.8° | 60.0° |
| C01 | C02 | C03 | C06 | 71.5° | 180.0° |
| C02 | C01 | H01 | H02 | 120.0° | 120.0° |
| C02 | C01 | H01 | H03 | 120.0° | 120.0° |
| C02 | C01 | H02 | H03 | 120.0° | 120.0° |
| C01 | C02 | H04 | H05 | 119.6° | 120.0° |
| C02 | C03 | C04 | C05 | 118.8° | 120.0° |
| C02 | C03 | C04 | C06 | 121.1° | 120.0° |
| C02 | C03 | C05 | C06 | 121.3° | 120.0° |
| C02 | C03 | C06 | C12 | 177.7° | 180.0° |
| C02 | C03 | C06 | C07 | 2.6° | 0.2° |
| C03 | C02 | C01 | H01 | 180.0° | 180.0° |
| C03 | C02 | C01 | H02 | 60.0° | 60.0° |
| C03 | C02 | C01 | H03 | 60.0° | 60.0° |
| C03 | C02 | H04 | H05 | 119.6° | 120.0° |
| C02 | C03 | C04 | H06 | 180.0° | 60.0° |
| C02 | C03 | C04 | H07 | 60.0° | 180.0° |
| C02 | C03 | C04 | H08 | 60.0° | 60.0° |
| C02 | C03 | C05 | H09 | 180.0° | 60.0° |
| C02 | C03 | C05 | H1A | 60.0° | 180.0° |
| C02 | C03 | C05 | H1B | 60.0° | 60.0° |
| C04 | C03 | C05 | C06 | 120.0° | 120.0° |
| C04 | C03 | C06 | C12 | 62.3° | 60.0° |
| C04 | C03 | C06 | C07 | 122.5° | 119.7° |
| C04 | C03 | C02 | H04 | 71.4° | 180.0° |
| C04 | C03 | C02 | H05 | 168.9° | 60.0° |
| C03 | C04 | H06 | H07 | 120.0° | 120.0° |
| C03 | C04 | H06 | H08 | 120.0° | 120.0° |
| C03 | C04 | H07 | H08 | 120.0° | 120.0° |
| C04 | C03 | C05 | H09 | 61.3° | 180.0° |
| C04 | C03 | C05 | H1A | 58.7° | 60.0° |
| C04 | C03 | C05 | H1B | 178.7° | 60.0° |
| C05 | C03 | C06 | C12 | 57.6° | 60.0° |
| C05 | C03 | C06 | C07 | 117.6° | 120.3° |
| C05 | C03 | C02 | H04 | 47.7° | 60.0° |
| C05 | C03 | C02 | H05 | 72.0° | 180.0° |
| C05 | C03 | C04 | H06 | 61.3° | 60.0° |
| C05 | C03 | C04 | H07 | 178.8° | 60.0° |
| C05 | C03 | C04 | H08 | 58.7° | 180.0° |
| C03 | C05 | H09 | H1A | 120.0° | 120.0° |
| C03 | C05 | H09 | H1B | 120.0° | 120.0° |
| C03 | C05 | H1A | H1B | 120.0° | 120.0° |
| C03 | C06 | C12 | C07 | 175.3° | 179.8° |
| C03 | C06 | C12 | C11 | 178.5° | 179.7° |
| C03 | C06 | C12 | O13 | 3.1° | 0.1° |
| C03 | C06 | C07 | C08 | 179.4° | 179.9° |
| C06 | C03 | C02 | H04 | 168.3° | 60.0° |
| C06 | C03 | C02 | H05 | 48.6° | 60.0° |
| C06 | C03 | C04 | H06 | 58.8° | 180.0° |
| C06 | C03 | C04 | H07 | 61.1° | 60.0° |
| C06 | C03 | C04 | H08 | 178.8° | 60.0° |
| C06 | C03 | C05 | H09 | 58.7° | 60.0° |
| C06 | C03 | C05 | H1A | 178.7° | 60.0° |
| C06 | C03 | C05 | H1B | 61.3° | 180.0° |
| C03 | C06 | C07 | H1C | 0.6° | 0.0° |
| C06 | C12 | C11 | O13 | 178.3° | 179.8° |
| C06 | C12 | C11 | C10 | 2.9° | 0.5° |
| C12 | C06 | C07 | C08 | 4.1° | 0.3° |
| C12 | C06 | C07 | H1C | 175.9° | 179.8° |
| C06 | C12 | C11 | H11 | 177.1° | 179.7° |
| C06 | C12 | O13 | H13 | 180.0° | 90.0° |
| C07 | C06 | C12 | C11 | 3.2° | 0.5° |
| C07 | C06 | C12 | O13 | 178.4° | 179.7° |
| C06 | C07 | C08 | H1C | 180.0° | 179.9° |
| C06 | C07 | C08 | O09 | 178.5° | 180.0° |
| C06 | C07 | C08 | C10 | 4.9° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C08 | 3.3° | 0.2° |
| C12 | C11 | C10 | C14 | 177.8° | 179.8° |
| C11 | C12 | O13 | H13 | 1.6° | 89.7° |
| O13 | C12 | C11 | C10 | 178.9° | 179.7° |
| O13 | C12 | C11 | H11 | 1.1° | 0.1° |
| C11 | C10 | C08 | C07 | 4.3° | 0.1° |
| C11 | C10 | C08 | O09 | 178.8° | 180.0° |
| C11 | C10 | C08 | C14 | 174.5° | 180.0° |
| C11 | C10 | C14 | C15 | 9.1° | 120.0° |
| C11 | C10 | C14 | C16 | 110.4° | 120.0° |
| C11 | C10 | C14 | C17 | 128.9° | 0.0° |
| C07 | C08 | O09 | C10 | 176.8° | 180.0° |
| C07 | C08 | C10 | C14 | 178.8° | 180.0° |
| C07 | C08 | O09 | H2G | 180.0° | 89.9° |
| O09 | C08 | C10 | C14 | 4.4° | 0.0° |
| O09 | C08 | C07 | H1C | 1.5° | 0.1° |
| C08 | C10 | C14 | C15 | 176.5° | 60.0° |
| C08 | C10 | C14 | C16 | 63.9° | 60.0° |
| C08 | C10 | C14 | C17 | 56.7° | 180.0° |
| C10 | C08 | C07 | H1C | 175.2° | 179.9° |
| C08 | C10 | C11 | H11 | 176.7° | 179.9° |
| C10 | C08 | O09 | H2G | 3.1° | 90.1° |
| C10 | C14 | C15 | C16 | 119.9° | 120.0° |
| C10 | C14 | C15 | C17 | 120.9° | 120.0° |
| C10 | C14 | C16 | C17 | 121.4° | 120.0° |
| C10 | C14 | C17 | C18 | 64.5° | 180.0° |
| C14 | C10 | C11 | H11 | 2.2° | 0.1° |
| C10 | C14 | C15 | H15 | 180.0° | 60.0° |
| C10 | C14 | C15 | H16 | 60.0° | 180.0° |
| C10 | C14 | C15 | H17 | 60.0° | 59.9° |
| C10 | C14 | C16 | H18 | 180.0° | 60.0° |
| C10 | C14 | C16 | H19 | 60.0° | 180.0° |
| C10 | C14 | C16 | H2A | 60.0° | 60.1° |
| C10 | C14 | C17 | H2B | 55.6° | 60.0° |
| C10 | C14 | C17 | H2C | 175.5° | 60.0° |
| C15 | C14 | C16 | C17 | 118.9° | 120.0° |
| C15 | C14 | C17 | C18 | 55.6° | 60.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C15 | C14 | C16 | H18 | 60.3° | 180.0° |
| C15 | C14 | C16 | H19 | 179.7° | 59.9° |
| C15 | C14 | C16 | H2A | 59.7° | 60.0° |
| C15 | C14 | C17 | H2B | 175.7° | 180.0° |
| C15 | C14 | C17 | H2C | 64.4° | 60.0° |
| C16 | C14 | C17 | C18 | 174.7° | 60.0° |
| C16 | C14 | C15 | H15 | 60.1° | 60.0° |
| C16 | C14 | C15 | H16 | 59.9° | 60.0° |
| C16 | C14 | C15 | H17 | 179.9° | 180.0° |
| C14 | C16 | H18 | H19 | 120.0° | 120.0° |
| C14 | C16 | H18 | H2A | 120.0° | 120.0° |
| C14 | C16 | H19 | H2A | 120.0° | 120.0° |
| C16 | C14 | C17 | H2B | 65.2° | 60.0° |
| C16 | C14 | C17 | H2C | 54.7° | 180.0° |
| C14 | C17 | C18 | H2B | 120.1° | 120.0° |
| C14 | C17 | C18 | H2C | 120.0° | 120.0° |
| C17 | C14 | C15 | H15 | 59.2° | 180.0° |
| C17 | C14 | C15 | H16 | 179.2° | 60.0° |
| C17 | C14 | C15 | H17 | 60.9° | 60.0° |
| C17 | C14 | C16 | H18 | 58.7° | 60.0° |
| C17 | C14 | C16 | H19 | 61.4° | 60.1° |
| C17 | C14 | C16 | H2A | 178.6° | 180.0° |
| C14 | C17 | H2B | H2C | 119.8° | 120.0° |
| C14 | C17 | C18 | H2D | 180.0° | 180.0° |
| C14 | C17 | C18 | H2E | 60.0° | 60.0° |
| C14 | C17 | C18 | H2F | 60.0° | 60.0° |
| C18 | C17 | H2B | H2C | 119.8° | 120.0° |
| C17 | C18 | H2D | H2E | 120.0° | 120.0° |
| C17 | C18 | H2D | H2F | 120.0° | 120.0° |
| C17 | C18 | H2E | H2F | 120.0° | 120.0° |
| H01 | C01 | H02 | H03 | 120.0° | 120.0° |
| H01 | C01 | C02 | H04 | 59.8° | 60.0° |
| H01 | C01 | C02 | H05 | 59.9° | 60.0° |
| H02 | C01 | C02 | H04 | 60.2° | 60.0° |
| H02 | C01 | C02 | H05 | 179.9° | 180.0° |
| H03 | C01 | C02 | H04 | 179.8° | 180.0° |
| H03 | C01 | C02 | H05 | 60.1° | 60.0° |
| H06 | C04 | H07 | H08 | 120.0° | 120.0° |
| H09 | C05 | H1A | H1B | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C16 | H19 | H2A | 120.0° | 120.0° |
| H2B | C17 | C18 | H2D | 59.9° | 60.0° |
| H2B | C17 | C18 | H2E | 179.9° | NaN° |
| H2B | C17 | C18 | H2F | 60.1° | 60.0° |
| H2C | C17 | C18 | H2D | 60.0° | 60.0° |
| H2C | C17 | C18 | H2E | 60.1° | 60.0° |
| H2C | C17 | C18 | H2F | 179.9° | 180.0° |
| H2D | C18 | H2E | H2F | 120.0° | 120.0° |
