A1D6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | O01 | sing | 1.45Å | 1.41Å | |
| O03 | C08 | doub | 1.21Å | 1.20Å | |
| O01 | C07 | sing | 1.35Å | 1.34Å | |
| O04 | C07 | doub | 1.22Å | 1.21Å | |
| C07 | C05 | sing | 1.48Å | 1.36Å | |
| C08 | O02 | sing | 1.35Å | 1.34Å | |
| C08 | C04 | sing | 1.48Å | 1.35Å | |
| C05 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| O02 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | O01 | 108.3° | 109.4° |
| C10 | C09 | H5 | 109.8° | 109.4° |
| C10 | C09 | H6 | 109.8° | 109.5° |
| C09 | C10 | H7 | 109.5° | 109.5° |
| C09 | C10 | H8 | 109.5° | 109.5° |
| C09 | C10 | H9 | 109.5° | 109.5° |
| C09 | O01 | C07 | 111.6° | 117.0° |
| O01 | C09 | H5 | 109.8° | 109.5° |
| O01 | C09 | H6 | 109.8° | 109.5° |
| O03 | C08 | O02 | 119.6° | 120.0° |
| O03 | C08 | C04 | 122.7° | 120.0° |
| O01 | C07 | O04 | 118.9° | 120.0° |
| O01 | C07 | C05 | 122.0° | 120.0° |
| O04 | C07 | C05 | 119.2° | 119.9° |
| C07 | C05 | C04 | 122.8° | 120.3° |
| C07 | C05 | C06 | 118.8° | 120.2° |
| O02 | C08 | C04 | 117.6° | 120.0° |
| C08 | O02 | H10 | 109.5° | 117.0° |
| C08 | C04 | C05 | 122.3° | 120.2° |
| C08 | C04 | C03 | 117.0° | 120.2° |
| C04 | C05 | C06 | 118.5° | 119.6° |
| C05 | C04 | C03 | 120.6° | 119.6° |
| C05 | C06 | C01 | 120.8° | 120.0° |
| C05 | C06 | H4 | 119.6° | 120.0° |
| C04 | C03 | C02 | 120.6° | 120.0° |
| C04 | C03 | H3 | 119.7° | 120.0° |
| C06 | C01 | C02 | 120.4° | 120.4° |
| C06 | C01 | H1 | 119.8° | 119.8° |
| C01 | C06 | H4 | 119.6° | 120.0° |
| C03 | C02 | C01 | 119.0° | 120.4° |
| C03 | C02 | H2 | 120.5° | 119.8° |
| C02 | C03 | H3 | 119.7° | 120.0° |
| C02 | C01 | H1 | 119.8° | 119.8° |
| C01 | C02 | H2 | 120.5° | 119.8° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | O01 | H5 | 119.8° | 120.0° |
| C10 | C09 | O01 | H6 | 119.8° | 120.0° |
| C10 | C09 | O01 | C07 | 93.2° | 180.0° |
| C10 | C09 | H5 | H6 | 120.6° | 120.0° |
| C09 | C10 | H7 | H8 | 120.0° | 120.0° |
| C09 | C10 | H7 | H9 | 120.0° | 120.0° |
| C09 | C10 | H8 | H9 | 120.0° | 120.0° |
| C09 | O01 | C07 | O04 | 8.5° | 0.1° |
| C09 | O01 | C07 | C05 | 171.9° | 180.0° |
| O01 | C09 | H5 | H6 | 120.5° | 120.1° |
| O01 | C09 | C10 | H7 | 180.0° | 60.0° |
| O01 | C09 | C10 | H8 | 60.0° | 60.0° |
| O01 | C09 | C10 | H9 | 60.0° | 180.0° |
| O03 | C08 | O02 | C04 | 177.8° | 180.0° |
| O03 | C08 | C04 | C05 | 52.4° | 54.7° |
| O03 | C08 | C04 | C03 | 131.3° | 125.3° |
| O03 | C08 | O02 | H10 | 0.0° | 0.0° |
| O01 | C07 | O04 | C05 | 179.6° | 179.9° |
| O01 | C07 | C05 | C04 | 46.5° | 173.6° |
| O01 | C07 | C05 | C06 | 134.8° | 6.1° |
| C07 | O01 | C09 | H5 | 147.0° | 60.0° |
| C07 | O01 | C09 | H6 | 26.6° | 60.0° |
| O04 | C07 | C05 | C04 | 133.0° | 6.5° |
| O04 | C07 | C05 | C06 | 45.6° | 173.8° |
| C07 | C05 | C04 | C08 | 3.7° | 0.0° |
| C07 | C05 | C04 | C06 | 178.6° | 179.7° |
| C07 | C05 | C04 | C03 | 179.8° | 180.0° |
| C07 | C05 | C06 | C01 | 179.4° | 179.8° |
| C07 | C05 | C06 | H4 | 0.6° | 0.3° |
| O02 | C08 | C04 | C05 | 129.9° | 125.3° |
| O02 | C08 | C04 | C03 | 46.4° | 54.7° |
| C08 | C04 | C05 | C03 | 176.1° | 180.0° |
| C08 | C04 | C05 | C06 | 177.7° | 179.7° |
| C08 | C04 | C03 | C02 | 177.7° | 180.0° |
| C08 | C04 | C03 | H3 | 2.3° | 0.0° |
| C04 | C08 | O02 | H10 | 177.8° | 180.0° |
| C04 | C05 | C06 | C01 | 0.7° | 0.6° |
| C05 | C04 | C03 | C02 | 1.4° | 0.0° |
| C05 | C04 | C03 | H3 | 178.6° | 180.0° |
| C04 | C05 | C06 | H4 | 179.3° | 180.0° |
| C06 | C05 | C04 | C03 | 1.6° | 0.3° |
| C05 | C06 | C01 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.3° | 0.6° |
| C05 | C06 | C01 | H1 | 179.7° | 179.7° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.3° | 0.1° |
| C04 | C03 | C02 | H2 | 179.7° | 180.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.3° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | H2 | 179.5° | 179.7° |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | H1 | 179.5° | 179.9° |
| C01 | C02 | C03 | H3 | 179.7° | 180.0° |
| C02 | C01 | C06 | H4 | 179.7° | 180.0° |
| H1 | C01 | C02 | H2 | 0.5° | 0.0° |
| H1 | C01 | C06 | H4 | 0.3° | 0.2° |
| H2 | C02 | C03 | H3 | 0.3° | 0.0° |
| H5 | C09 | C10 | H7 | 60.2° | 60.0° |
| H5 | C09 | C10 | H8 | 59.8° | 180.0° |
| H5 | C09 | C10 | H9 | 179.8° | 59.9° |
| H6 | C09 | C10 | H7 | 60.2° | 180.0° |
| H6 | C09 | C10 | H8 | 179.8° | 60.0° |
| H6 | C09 | C10 | H9 | 59.8° | 60.0° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
