A1MHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C08 | C10 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.51Å | 1.39Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.39Å | |
| C04 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.36Å | |
| 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 | |
| C03 | H05 | sing | 1.09Å | 1.10Å | |
| C03 | H06 | sing | 1.09Å | 1.10Å | |
| C03 | H07 | sing | 1.09Å | 1.10Å | |
| C05 | H08 | sing | 1.08Å | 1.08Å | |
| C06 | H09 | sing | 1.08Å | 1.08Å | |
| C08 | H1A | sing | 1.09Å | 1.10Å | |
| C09 | H1B | sing | 1.09Å | 1.10Å | |
| C09 | H1C | sing | 1.09Å | 1.10Å | |
| C09 | H1D | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O12 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C10 | 108.2° | 109.5° |
| C09 | C08 | C07 | 110.2° | 109.5° |
| C09 | C08 | H1A | 109.2° | 109.5° |
| C08 | C09 | H1B | 109.5° | 109.5° |
| C08 | C09 | H1C | 109.5° | 109.4° |
| C08 | C09 | H1D | 109.5° | 109.5° |
| C10 | C08 | C07 | 108.9° | 109.5° |
| C10 | C08 | H1A | 109.1° | 109.5° |
| C08 | C10 | H10 | 109.5° | 109.5° |
| C08 | C10 | H11 | 109.4° | 109.4° |
| C08 | C10 | H12 | 109.5° | 109.4° |
| C08 | C07 | C06 | 119.3° | 120.0° |
| C08 | C07 | C11 | 121.6° | 120.1° |
| C07 | C08 | H1A | 111.1° | 109.5° |
| C06 | C07 | C11 | 119.2° | 120.0° |
| C07 | C06 | C05 | 119.2° | 120.0° |
| C07 | C06 | H09 | 120.4° | 120.0° |
| C07 | C11 | C13 | 121.7° | 119.9° |
| C07 | C11 | O12 | 117.2° | 120.0° |
| C06 | C05 | C04 | 121.3° | 120.2° |
| C06 | C05 | H08 | 119.3° | 119.9° |
| C05 | C06 | H09 | 120.4° | 120.0° |
| C05 | C04 | C02 | 121.8° | 120.0° |
| C05 | C04 | C13 | 119.7° | 120.0° |
| C04 | C05 | H08 | 119.4° | 119.9° |
| C02 | C04 | C13 | 118.5° | 120.0° |
| C04 | C02 | C03 | 107.4° | 109.5° |
| C04 | C02 | C01 | 112.0° | 109.5° |
| C04 | C02 | H04 | 111.5° | 109.5° |
| C04 | C13 | C11 | 118.9° | 119.9° |
| C04 | C13 | H13 | 120.5° | 120.0° |
| C03 | C02 | C01 | 106.6° | 109.5° |
| C03 | C02 | H04 | 109.6° | 109.4° |
| C02 | C03 | H05 | 109.5° | 109.5° |
| C02 | C03 | H06 | 109.5° | 109.5° |
| C02 | C03 | H07 | 109.5° | 109.5° |
| C02 | C01 | H01 | 109.5° | 109.4° |
| C02 | C01 | H02 | 109.5° | 109.4° |
| C02 | C01 | H03 | 109.4° | 109.5° |
| C01 | C02 | H04 | 109.6° | 109.5° |
| C13 | C11 | O12 | 121.1° | 120.1° |
| C11 | C13 | H13 | 120.5° | 120.0° |
| C11 | O12 | H14 | 109.5° | 113.9° |
| H01 | C01 | H02 | 109.5° | 109.5° |
| H01 | C01 | H03 | 109.5° | 109.5° |
| H02 | C01 | H03 | 109.4° | 109.5° |
| H05 | C03 | H06 | 109.5° | 109.5° |
| H05 | C03 | H07 | 109.5° | 109.4° |
| H06 | C03 | H07 | 109.5° | 109.4° |
| H1B | C09 | H1C | 109.5° | 109.5° |
| H1B | C09 | H1D | 109.4° | 109.5° |
| H1C | C09 | H1D | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.6° |
| H11 | C10 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C10 | C07 | 119.8° | 120.0° |
| C09 | C08 | C10 | H1A | 118.7° | 120.0° |
| C09 | C08 | C07 | H1A | 121.2° | 120.0° |
| C09 | C08 | C07 | C06 | 59.9° | 60.0° |
| C09 | C08 | C07 | C11 | 120.8° | 120.0° |
| C08 | C09 | H1B | H1C | 120.0° | 120.0° |
| C08 | C09 | H1B | H1D | 120.0° | 120.1° |
| C08 | C09 | H1C | H1D | 120.0° | 120.0° |
| C09 | C08 | C10 | H10 | 180.0° | 180.0° |
| C09 | C08 | C10 | H11 | 60.0° | 60.0° |
| C09 | C08 | C10 | H12 | 60.0° | 60.0° |
| C10 | C08 | C07 | H1A | 120.2° | 120.0° |
| C10 | C08 | C07 | C06 | 58.7° | 60.0° |
| C10 | C08 | C07 | C11 | 120.6° | 120.0° |
| C10 | C08 | C09 | H1B | 180.0° | 60.0° |
| C10 | C08 | C09 | H1C | 60.0° | 60.0° |
| C10 | C08 | C09 | H1D | 60.0° | 180.0° |
| C08 | C10 | H10 | H11 | 120.0° | 119.9° |
| C08 | C10 | H10 | H12 | 120.0° | 120.0° |
| C08 | C10 | H11 | H12 | 120.0° | 119.9° |
| C08 | C07 | C06 | C11 | 179.3° | 179.9° |
| C08 | C07 | C06 | C05 | 179.4° | 180.0° |
| C08 | C07 | C11 | C13 | 179.4° | 179.7° |
| C08 | C07 | C11 | O12 | 0.6° | 0.1° |
| C08 | C07 | C06 | H09 | 0.6° | 0.1° |
| C07 | C08 | C09 | H1B | 61.0° | 60.0° |
| C07 | C08 | C09 | H1C | 179.0° | 180.0° |
| C07 | C08 | C09 | H1D | 59.0° | 60.0° |
| C07 | C08 | C10 | H10 | 60.2° | 60.0° |
| C07 | C08 | C10 | H11 | 59.8° | 180.0° |
| C07 | C08 | C10 | H12 | 179.8° | 60.1° |
| C07 | C06 | C05 | H09 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C07 | C11 | C13 | 0.1° | 0.2° |
| C06 | C07 | C11 | O12 | 179.9° | 180.0° |
| C07 | C06 | C05 | H08 | 179.8° | 179.9° |
| C06 | C07 | C08 | H1A | 178.9° | 180.0° |
| C11 | C07 | C06 | C05 | 0.1° | 0.1° |
| C07 | C11 | C13 | C04 | 0.2° | 0.6° |
| C07 | C11 | C13 | O12 | 180.0° | 179.8° |
| C11 | C07 | C06 | H09 | 179.9° | 180.0° |
| C11 | C07 | C08 | H1A | 0.4° | 0.0° |
| C07 | C11 | C13 | H13 | 179.8° | 180.0° |
| C07 | C11 | O12 | H14 | 180.0° | 90.0° |
| C06 | C05 | C04 | H08 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 179.4° | 180.0° |
| C06 | C05 | C04 | C13 | 0.5° | 0.3° |
| C05 | C04 | C02 | C13 | 178.9° | 179.7° |
| C05 | C04 | C02 | C03 | 117.0° | 60.0° |
| C05 | C04 | C02 | C01 | 0.3° | 59.9° |
| C05 | C04 | C13 | C11 | 0.5° | 0.6° |
| C05 | C04 | C02 | H04 | 122.9° | 180.0° |
| C04 | C05 | C06 | H09 | 179.8° | 179.9° |
| C05 | C04 | C13 | H13 | 179.5° | 180.0° |
| C04 | C02 | C03 | C01 | 120.2° | 120.0° |
| C04 | C02 | C03 | H04 | 121.3° | 120.0° |
| C04 | C02 | C01 | H04 | 124.3° | 120.1° |
| C02 | C04 | C13 | C11 | 179.4° | 179.7° |
| C04 | C02 | C01 | H01 | 180.0° | 180.0° |
| C04 | C02 | C01 | H02 | 60.0° | 60.0° |
| C04 | C02 | C01 | H03 | 60.0° | 60.0° |
| C04 | C02 | C03 | H05 | 180.0° | 60.0° |
| C04 | C02 | C03 | H06 | 60.0° | 180.0° |
| C04 | C02 | C03 | H07 | 60.0° | 60.0° |
| C02 | C04 | C05 | H08 | 0.6° | 0.1° |
| C02 | C04 | C13 | H13 | 0.6° | 0.3° |
| C13 | C04 | C02 | C03 | 61.9° | 120.3° |
| C13 | C04 | C02 | C01 | 178.6° | 119.7° |
| C04 | C13 | C11 | H13 | 180.0° | 179.4° |
| C04 | C13 | C11 | O12 | 179.8° | 179.6° |
| C13 | C04 | C02 | H04 | 58.2° | 0.3° |
| C13 | C04 | C05 | H08 | 179.5° | 179.7° |
| C03 | C02 | C01 | H04 | 118.5° | 119.9° |
| C03 | C02 | C01 | H01 | 62.7° | 60.0° |
| C03 | C02 | C01 | H02 | 177.2° | 180.0° |
| C03 | C02 | C01 | H03 | 57.3° | 60.0° |
| C02 | C03 | H05 | H06 | 120.0° | 120.0° |
| C02 | C03 | H05 | H07 | 120.0° | 120.0° |
| C02 | C03 | H06 | H07 | 120.0° | 120.0° |
| C02 | C01 | H01 | H02 | 120.0° | 120.0° |
| C02 | C01 | H01 | H03 | 120.0° | 120.0° |
| C02 | C01 | H02 | H03 | 119.9° | 120.0° |
| C01 | C02 | C03 | H05 | 59.8° | 180.0° |
| C01 | C02 | C03 | H06 | 60.2° | 60.0° |
| C01 | C02 | C03 | H07 | 179.8° | 60.0° |
| C13 | C11 | O12 | H14 | 0.0° | 89.7° |
| O12 | C11 | C13 | H13 | 0.2° | 0.3° |
| H01 | C01 | H02 | H03 | 120.0° | 120.0° |
| H01 | C01 | C02 | H04 | 55.8° | 60.0° |
| H02 | C01 | C02 | H04 | 64.3° | 60.0° |
| H03 | C01 | C02 | H04 | 175.8° | 179.9° |
| H04 | C02 | C03 | H05 | 58.7° | 60.0° |
| H04 | C02 | C03 | H06 | 178.7° | 60.0° |
| H04 | C02 | C03 | H07 | 61.3° | 180.0° |
| H05 | C03 | H06 | H07 | 120.0° | 119.9° |
| H08 | C05 | C06 | H09 | 0.2° | 0.0° |
| H1A | C08 | C09 | H1B | 61.3° | 180.0° |
| H1A | C08 | C09 | H1C | 58.7° | 60.0° |
| H1A | C08 | C09 | H1D | 178.7° | 60.0° |
| H1A | C08 | C10 | H10 | 61.3° | 60.0° |
| H1A | C08 | C10 | H11 | 178.7° | 60.0° |
| H1A | C08 | C10 | H12 | 58.8° | 179.9° |
| H1B | C09 | H1C | H1D | 120.0° | 120.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.1° |
