A1C6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | doub | 1.21Å | 1.21Å | |
| C01 | C03 | sing | 1.41Å | 1.65Å | |
| O06 | C05 | sing | 1.36Å | 1.36Å | |
| C03 | C04 | doub | 1.36Å | 1.32Å | |
| C05 | C04 | sing | 1.46Å | 1.51Å | |
| C05 | C07 | doub | 1.34Å | 1.34Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| O06 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C01 | C03 | 120.4° | 120.0° |
| O02 | C01 | H1 | 119.8° | 120.0° |
| C01 | C03 | C04 | 126.2° | 120.0° |
| C03 | C01 | H1 | 119.8° | 120.0° |
| C01 | C03 | H2 | 116.9° | 120.0° |
| O06 | C05 | C04 | 115.9° | 120.0° |
| O06 | C05 | C07 | 125.6° | 120.0° |
| C05 | O06 | H6 | 109.5° | 114.0° |
| C03 | C04 | C05 | 127.8° | 120.0° |
| C04 | C03 | H2 | 116.9° | 120.0° |
| C03 | C04 | H3 | 116.2° | 120.0° |
| C04 | C05 | C07 | 118.6° | 120.0° |
| C05 | C04 | H3 | 116.1° | 120.0° |
| C05 | C07 | H4 | 120.0° | 120.0° |
| C05 | C07 | H5 | 120.0° | 120.0° |
| H4 | C07 | H5 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C01 | C03 | H1 | 180.0° | 179.7° |
| O02 | C01 | C03 | C04 | 93.8° | 173.4° |
| O02 | C01 | C03 | H2 | 86.2° | 6.6° |
| C01 | C03 | C04 | H2 | 180.0° | 179.9° |
| C01 | C03 | C04 | C05 | 0.5° | 8.6° |
| C01 | C03 | C04 | H3 | 179.5° | 171.4° |
| O06 | C05 | C04 | C03 | 39.4° | 6.1° |
| O06 | C05 | C04 | C07 | 179.5° | 180.0° |
| O06 | C05 | C04 | H3 | 140.6° | 173.9° |
| O06 | C05 | C07 | H4 | 179.5° | 0.0° |
| O06 | C05 | C07 | H5 | 0.5° | 180.0° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C07 | 141.1° | 173.9° |
| C04 | C03 | C01 | H1 | 86.2° | 7.0° |
| C05 | C04 | C03 | H2 | 179.5° | 171.4° |
| C04 | C05 | C07 | H4 | 0.0° | 180.0° |
| C04 | C05 | C07 | H5 | 180.0° | 0.0° |
| C04 | C05 | O06 | H6 | 180.0° | 180.0° |
| C07 | C05 | C04 | H3 | 38.9° | 6.1° |
| C05 | C07 | H4 | H5 | 180.0° | 179.9° |
| C07 | C05 | O06 | H6 | 0.5° | 0.0° |
| H1 | C01 | C03 | H2 | 93.8° | 173.1° |
| H2 | C03 | C04 | H3 | 0.5° | 8.7° |
