A1IH7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C01 | sing | 1.51Å | 1.53Å | |
| C05 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | O04 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| O03 | H9 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C08 | 109.5° | 109.5° |
| O10 | C09 | H7 | 109.5° | 109.4° |
| O10 | C09 | H8 | 109.5° | 109.4° |
| C09 | O10 | H10 | 109.5° | 114.0° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C07 | C06 | C05 | 119.3° | 120.1° |
| C07 | C06 | H5 | 120.3° | 120.0° |
| C06 | C07 | H6 | 119.9° | 120.1° |
| C07 | C08 | C09 | 118.3° | 120.0° |
| C07 | C08 | C11 | 120.9° | 120.0° |
| C08 | C07 | H6 | 119.9° | 119.9° |
| C06 | C05 | C01 | 118.9° | 120.1° |
| C06 | C05 | C12 | 120.5° | 120.0° |
| C05 | C06 | H5 | 120.3° | 120.0° |
| C09 | C08 | C11 | 120.8° | 120.0° |
| C08 | C09 | H7 | 109.5° | 109.5° |
| C08 | C09 | H8 | 109.5° | 109.5° |
| C08 | C11 | C12 | 119.1° | 120.0° |
| C08 | C11 | H1 | 120.5° | 120.1° |
| C01 | C05 | C12 | 120.6° | 120.0° |
| C05 | C01 | C02 | 109.6° | 109.5° |
| C05 | C01 | H3 | 109.5° | 109.5° |
| C05 | C01 | H4 | 109.4° | 109.5° |
| C05 | C12 | C11 | 120.1° | 120.0° |
| C05 | C12 | H2 | 120.0° | 120.0° |
| C01 | C02 | O04 | 121.7° | 120.0° |
| C01 | C02 | O03 | 119.3° | 120.0° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.4° |
| C12 | C11 | H1 | 120.5° | 120.0° |
| C11 | C12 | H2 | 120.0° | 120.0° |
| O04 | C02 | O03 | 119.0° | 120.0° |
| C02 | O03 | H9 | 109.5° | 117.0° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H7 | C09 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C08 | C07 | 116.5° | 90.0° |
| O10 | C09 | C08 | H7 | 120.0° | 120.0° |
| O10 | C09 | C08 | H8 | 120.0° | 119.9° |
| O10 | C09 | C08 | C11 | 64.2° | 90.6° |
| O10 | C09 | H7 | H8 | 120.0° | 119.9° |
| C06 | C07 | C08 | H6 | 180.0° | 179.7° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 180.0° | 180.0° |
| C06 | C07 | C08 | C11 | 0.7° | 0.5° |
| C07 | C06 | C05 | C01 | 179.2° | 180.0° |
| C07 | C06 | C05 | C12 | 0.2° | 0.1° |
| C08 | C07 | C06 | C05 | 0.6° | 0.3° |
| C07 | C08 | C09 | C11 | 179.3° | 179.5° |
| C07 | C08 | C11 | C12 | 0.3° | 0.5° |
| C07 | C08 | C11 | H1 | 179.7° | 179.7° |
| C08 | C07 | C06 | H5 | 179.4° | 179.8° |
| C07 | C08 | C09 | H7 | 3.5° | 150.0° |
| C07 | C08 | C09 | H8 | 123.5° | 30.0° |
| C06 | C05 | C01 | C12 | 179.3° | 179.9° |
| C06 | C05 | C01 | C02 | 91.3° | 89.9° |
| C06 | C05 | C12 | C11 | 0.2° | 0.0° |
| C06 | C05 | C12 | H2 | 179.8° | 179.9° |
| C06 | C05 | C01 | H3 | 148.7° | 150.0° |
| C06 | C05 | C01 | H4 | 28.7° | 30.1° |
| C05 | C06 | C07 | H6 | 179.3° | 180.0° |
| C09 | C08 | C11 | C12 | 179.5° | 180.0° |
| C09 | C08 | C11 | H1 | 0.5° | 0.3° |
| C09 | C08 | C07 | H6 | 0.0° | 0.3° |
| C08 | C09 | H7 | H8 | 120.0° | 120.1° |
| C08 | C09 | O10 | H10 | 180.0° | 180.0° |
| C08 | C11 | C12 | C05 | 0.2° | 0.3° |
| C08 | C11 | C12 | H1 | 180.0° | 179.8° |
| C08 | C11 | C12 | H2 | 179.8° | 179.7° |
| C11 | C08 | C07 | H6 | 179.3° | 179.8° |
| C11 | C08 | C09 | H7 | 175.8° | 29.4° |
| C11 | C08 | C09 | H8 | 55.8° | 149.5° |
| C05 | C01 | C02 | H3 | 120.0° | 120.1° |
| C05 | C01 | C02 | H4 | 120.0° | 120.0° |
| C01 | C05 | C12 | C11 | 179.6° | 180.0° |
| C05 | C01 | C02 | O04 | 135.4° | 0.0° |
| C05 | C01 | C02 | O03 | 43.4° | 180.0° |
| C01 | C05 | C12 | H2 | 0.4° | 0.0° |
| C05 | C01 | H3 | H4 | 119.9° | 120.0° |
| C01 | C05 | C06 | H5 | 0.8° | 0.1° |
| C12 | C05 | C01 | C02 | 88.0° | 90.0° |
| C05 | C12 | C11 | H2 | 180.0° | 180.0° |
| C05 | C12 | C11 | H1 | 179.8° | 180.0° |
| C12 | C05 | C01 | H3 | 32.0° | 30.1° |
| C12 | C05 | C01 | H4 | 152.0° | 150.0° |
| C12 | C05 | C06 | H5 | 179.8° | 180.0° |
| C01 | C02 | O04 | O03 | 178.8° | 180.0° |
| C02 | C01 | H3 | H4 | 119.9° | 119.9° |
| C01 | C02 | O03 | H9 | 178.8° | 180.0° |
| O04 | C02 | C01 | H3 | 104.6° | 120.0° |
| O04 | C02 | C01 | H4 | 15.4° | 120.0° |
| O04 | C02 | O03 | H9 | 0.0° | 0.0° |
| O03 | C02 | C01 | H3 | 76.6° | 59.9° |
| O03 | C02 | C01 | H4 | 163.4° | 60.0° |
| H1 | C11 | C12 | H2 | 0.2° | 0.1° |
| H5 | C06 | C07 | H6 | 0.6° | 0.1° |
| H7 | C09 | O10 | H10 | 60.0° | 60.0° |
| H8 | C09 | O10 | H10 | 60.0° | 60.0° |
