A1H6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C07 | doub | 1.21Å | 1.29Å | |
| O10 | C02 | sing | 1.43Å | 1.39Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C07 | C02 | sing | 1.51Å | 1.53Å | |
| C07 | O08 | sing | 1.34Å | 1.29Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | O06 | doub | 1.21Å | 1.33Å | |
| C04 | O05 | sing | 1.34Å | 1.26Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| O05 | H1 | sing | 0.97Å | 0.95Å | |
| O08 | H2 | sing | 0.97Å | 0.95Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C07 | C02 | 119.4° | 120.0° |
| O09 | C07 | O08 | 123.0° | 120.0° |
| O10 | C02 | C01 | 109.8° | 109.5° |
| O10 | C02 | C07 | 111.9° | 109.5° |
| O10 | C02 | C03 | 114.4° | 109.5° |
| C02 | O10 | H101 | 109.5° | 114.0° |
| C01 | C02 | C07 | 111.7° | 109.4° |
| C01 | C02 | C03 | 101.2° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C07 | O08 | 117.6° | 120.0° |
| C07 | C02 | C03 | 107.5° | 109.5° |
| C07 | O08 | H2 | 109.5° | 117.0° |
| C02 | C03 | C04 | 114.1° | 109.4° |
| C02 | C03 | H032 | 108.3° | 109.4° |
| C02 | C03 | H031 | 108.3° | 109.5° |
| C03 | C04 | O06 | 125.2° | 120.0° |
| C03 | C04 | O05 | 111.1° | 119.9° |
| C04 | C03 | H032 | 108.3° | 109.5° |
| C04 | C03 | H031 | 108.3° | 109.5° |
| O06 | C04 | O05 | 123.7° | 120.0° |
| C04 | O05 | H1 | 109.5° | 116.9° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C07 | C02 | O10 | 0.2° | 145.0° |
| O09 | C07 | C02 | C01 | 123.7° | 95.0° |
| O09 | C07 | C02 | O08 | 178.6° | 179.9° |
| O09 | C07 | C02 | C03 | 126.2° | 24.9° |
| O09 | C07 | O08 | H2 | 0.0° | 0.1° |
| O10 | C02 | C01 | C07 | 124.7° | 120.0° |
| O10 | C02 | C01 | C03 | 121.2° | 120.0° |
| O10 | C02 | C07 | C03 | 126.4° | 120.0° |
| O10 | C02 | C07 | O08 | 178.5° | 34.9° |
| O10 | C02 | C03 | C04 | 81.1° | 60.0° |
| O10 | C02 | C01 | H012 | 180.0° | 180.0° |
| O10 | C02 | C01 | H013 | 60.0° | 60.0° |
| O10 | C02 | C01 | H011 | 60.0° | 60.0° |
| O10 | C02 | C03 | H032 | 158.2° | 60.0° |
| O10 | C02 | C03 | H031 | 39.5° | 180.0° |
| C01 | C02 | C07 | C03 | 110.1° | 120.0° |
| C01 | C02 | C07 | O08 | 54.9° | 85.0° |
| C01 | C02 | C03 | C04 | 160.9° | 60.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C01 | C02 | C03 | H032 | 40.3° | 180.0° |
| C01 | C02 | C03 | H031 | 78.4° | 60.0° |
| C01 | C02 | O10 | H101 | 124.7° | 180.0° |
| C07 | C02 | C03 | C04 | 43.8° | 180.0° |
| C07 | C02 | C01 | H012 | 55.3° | 60.0° |
| C07 | C02 | C01 | H013 | 64.7° | 60.0° |
| C07 | C02 | C01 | H011 | 175.2° | 180.0° |
| C07 | C02 | C03 | H032 | 76.9° | 60.0° |
| C07 | C02 | C03 | H031 | 164.5° | 60.0° |
| C02 | C07 | O08 | H2 | 178.6° | 180.0° |
| C07 | C02 | O10 | H101 | 0.1° | 60.0° |
| O08 | C07 | C02 | C03 | 55.2° | 155.0° |
| C02 | C03 | C04 | H032 | 120.7° | 120.0° |
| C02 | C03 | C04 | H031 | 120.7° | 120.0° |
| C02 | C03 | C04 | O06 | 74.2° | 0.0° |
| C02 | C03 | C04 | O05 | 105.3° | 180.0° |
| C03 | C02 | C01 | H012 | 58.8° | 60.0° |
| C03 | C02 | C01 | H013 | 178.8° | 180.0° |
| C03 | C02 | C01 | H011 | 61.2° | 60.0° |
| C02 | C03 | H032 | H031 | 117.9° | 120.0° |
| C03 | C02 | O10 | H101 | 122.5° | 60.0° |
| C03 | C04 | O06 | O05 | 179.5° | 179.9° |
| C04 | C03 | H032 | H031 | 117.9° | 120.0° |
| C03 | C04 | O05 | H1 | 179.6° | 180.0° |
| O06 | C04 | C03 | H032 | 46.5° | 120.0° |
| O06 | C04 | C03 | H031 | 165.1° | 120.0° |
| O06 | C04 | O05 | H1 | 0.0° | 0.0° |
| O05 | C04 | C03 | H032 | 134.0° | 60.0° |
| O05 | C04 | C03 | H031 | 15.3° | 60.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
