A1CLK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C01 | sing | 1.43Å | 1.43Å | |
| C01 | C02 | sing | 1.51Å | 1.57Å | |
| C02 | C03 | sing | 1.51Å | 1.50Å | |
| C02 | O02 | doub | 1.21Å | 1.25Å | |
| C03 | S01 | sing | 1.81Å | 1.77Å | |
| S01 | O03 | sing | 1.52Å | 1.46Å | |
| S01 | O04 | doub | 1.42Å | 1.48Å | |
| S01 | O05 | doub | 1.42Å | 1.43Å | |
| O01 | H01 | sing | 0.97Å | 0.95Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H04 | sing | 1.09Å | 1.10Å | |
| C03 | H05 | sing | 1.09Å | 1.10Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C01 | C02 | 122.1° | 109.4° |
| C01 | O01 | H01 | 109.5° | 114.0° |
| O01 | C01 | H02 | 106.2° | 109.4° |
| O01 | C01 | H03 | 106.2° | 109.4° |
| C01 | C02 | C03 | 122.1° | 120.0° |
| C01 | C02 | O02 | 120.8° | 120.1° |
| C02 | C01 | H02 | 106.2° | 109.5° |
| C02 | C01 | H03 | 106.2° | 109.5° |
| C03 | C02 | O02 | 117.1° | 120.0° |
| C02 | C03 | S01 | 117.1° | 109.5° |
| C02 | C03 | H04 | 107.5° | 109.4° |
| C02 | C03 | H05 | 107.5° | 109.4° |
| C03 | S01 | O03 | 104.7° | 104.4° |
| C03 | S01 | O04 | 103.1° | 110.6° |
| C03 | S01 | O05 | 106.6° | 110.6° |
| S01 | C03 | H04 | 107.5° | 109.5° |
| S01 | C03 | H05 | 107.5° | 109.5° |
| O03 | S01 | O04 | 117.3° | 104.3° |
| O03 | S01 | O05 | 113.4° | 104.3° |
| S01 | O03 | H1 | 109.5° | 114.0° |
| O04 | S01 | O05 | 110.5° | 121.0° |
| H02 | C01 | H03 | 109.5° | 109.5° |
| H04 | C03 | H05 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C01 | C02 | H02 | 121.8° | 120.0° |
| O01 | C01 | C02 | H03 | 121.7° | 120.0° |
| O01 | C01 | C02 | C03 | 155.8° | 180.0° |
| O01 | C01 | C02 | O02 | 22.4° | 0.0° |
| O01 | C01 | H02 | H03 | 114.3° | 119.9° |
| C01 | C02 | C03 | O02 | 178.3° | 180.0° |
| C01 | C02 | C03 | S01 | 84.7° | 180.0° |
| C02 | C01 | O01 | H01 | 180.0° | 180.0° |
| C02 | C01 | H02 | H03 | 114.3° | 120.1° |
| C01 | C02 | C03 | H04 | 36.4° | 60.0° |
| C01 | C02 | C03 | H05 | 154.2° | 60.0° |
| C02 | C03 | S01 | H04 | 121.1° | 120.0° |
| C02 | C03 | S01 | H05 | 121.1° | 120.0° |
| C02 | C03 | S01 | O03 | 34.8° | 180.0° |
| C02 | C03 | S01 | O04 | 158.0° | 68.4° |
| C02 | C03 | S01 | O05 | 85.6° | 68.4° |
| C03 | C02 | C01 | H02 | 82.5° | 60.0° |
| C03 | C02 | C01 | H03 | 34.0° | 60.0° |
| C02 | C03 | H04 | H05 | 116.5° | 119.9° |
| O02 | C02 | C03 | S01 | 97.0° | 0.0° |
| O02 | C02 | C01 | H02 | 99.3° | 120.0° |
| O02 | C02 | C01 | H03 | 144.2° | 120.0° |
| O02 | C02 | C03 | H04 | 141.9° | 120.0° |
| O02 | C02 | C03 | H05 | 24.1° | 120.0° |
| C03 | S01 | O03 | O04 | 113.6° | 116.1° |
| C03 | S01 | O03 | O05 | 115.8° | 116.1° |
| C03 | S01 | O04 | O05 | 113.5° | 131.5° |
| S01 | C03 | H04 | H05 | 116.6° | 120.1° |
| C03 | S01 | O03 | H1 | 115.8° | 180.0° |
| O03 | S01 | O04 | O05 | 132.0° | 116.8° |
| O03 | S01 | C03 | H04 | 86.3° | 60.0° |
| O03 | S01 | C03 | H05 | 155.9° | 60.0° |
| O04 | S01 | C03 | H04 | 36.9° | 171.7° |
| O04 | S01 | C03 | H05 | 80.9° | 51.6° |
| O04 | S01 | O03 | H1 | 130.7° | 63.9° |
| O05 | S01 | C03 | H04 | 153.3° | 51.6° |
| O05 | S01 | C03 | H05 | 35.5° | 171.7° |
| O05 | S01 | O03 | H1 | 0.0° | 63.9° |
| H01 | O01 | C01 | H02 | 58.3° | 60.0° |
| H01 | O01 | C01 | H03 | 58.2° | 60.0° |
