A1AU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | sing | 1.43Å | 1.42Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | N04 | sing | 1.47Å | 1.45Å | |
| N04 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | O03 | doub | 1.21Å | 1.19Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| N04 | H6 | sing | 0.97Å | 1.00Å | |
| O07 | H7 | sing | 0.97Å | 0.95Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | C05 | 111.0° | 109.5° |
| C06 | O07 | H7 | 109.5° | 114.0° |
| O07 | C06 | H8 | 109.1° | 109.5° |
| O07 | C06 | H9 | 109.1° | 109.5° |
| C06 | C05 | N04 | 104.8° | 109.4° |
| C06 | C05 | H4 | 110.6° | 109.5° |
| C06 | C05 | H5 | 110.7° | 109.4° |
| C05 | C06 | H8 | 109.1° | 109.4° |
| C05 | C06 | H9 | 109.1° | 109.4° |
| C05 | N04 | C02 | 121.3° | 120.0° |
| N04 | C05 | H4 | 110.7° | 109.5° |
| N04 | C05 | H5 | 110.6° | 109.5° |
| C05 | N04 | H6 | 119.3° | 120.0° |
| N04 | C02 | C01 | 118.0° | 120.0° |
| N04 | C02 | O03 | 119.7° | 120.0° |
| C02 | N04 | H6 | 119.3° | 120.0° |
| C01 | C02 | O03 | 122.3° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | C05 | H8 | 120.2° | 120.0° |
| O07 | C06 | C05 | H9 | 120.2° | 120.0° |
| O07 | C06 | C05 | N04 | 58.0° | 65.0° |
| O07 | C06 | C05 | H4 | 177.3° | 175.0° |
| O07 | C06 | C05 | H5 | 61.2° | 55.0° |
| O07 | C06 | H8 | H9 | 119.3° | 120.1° |
| C06 | C05 | N04 | H4 | 119.2° | 120.0° |
| C06 | C05 | N04 | H5 | 119.3° | 120.0° |
| C06 | C05 | N04 | C02 | 155.9° | 180.0° |
| C06 | C05 | H4 | H5 | 122.2° | 120.0° |
| C06 | C05 | N04 | H6 | 24.1° | 0.0° |
| C05 | C06 | O07 | H7 | 180.0° | 180.0° |
| C05 | C06 | H8 | H9 | 119.3° | 119.9° |
| C05 | N04 | C02 | H6 | 180.0° | 179.9° |
| C05 | N04 | C02 | C01 | 179.6° | 180.0° |
| C05 | N04 | C02 | O03 | 0.2° | 0.1° |
| N04 | C05 | H4 | H5 | 122.2° | 120.1° |
| N04 | C05 | C06 | H8 | 62.2° | 175.0° |
| N04 | C05 | C06 | H9 | 178.2° | 55.0° |
| N04 | C02 | C01 | O03 | 179.3° | 180.0° |
| N04 | C02 | C01 | H1 | 179.3° | 90.1° |
| N04 | C02 | C01 | H2 | 59.3° | 30.0° |
| N04 | C02 | C01 | H3 | 60.6° | 150.0° |
| C02 | N04 | C05 | H4 | 36.6° | 60.1° |
| C02 | N04 | C05 | H5 | 84.9° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N04 | H6 | 0.4° | 0.1° |
| O03 | C02 | C01 | H1 | 0.0° | 90.0° |
| O03 | C02 | C01 | H2 | 120.0° | 149.9° |
| O03 | C02 | C01 | H3 | 120.0° | 30.0° |
| O03 | C02 | N04 | H6 | 179.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C05 | N04 | H6 | 143.4° | 120.0° |
| H4 | C05 | C06 | H8 | 57.1° | 55.0° |
| H4 | C05 | C06 | H9 | 62.5° | 65.0° |
| H5 | C05 | N04 | H6 | 95.1° | 119.9° |
| H5 | C05 | C06 | H8 | 178.6° | 65.1° |
| H5 | C05 | C06 | H9 | 59.0° | 175.0° |
| H7 | O07 | C06 | H8 | 59.7° | 60.1° |
| H7 | O07 | C06 | H9 | 59.8° | 60.0° |
