65S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| C04 | F05 | sing | 1.40Å | 1.34Å | |
| O06 | C03 | doub | 1.21Å | 1.22Å | |
| C03 | C02 | sing | 1.49Å | 1.52Å | |
| C02 | O07 | doub | 1.21Å | 1.25Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | F05 | 106.1° | 109.5° |
| C04 | C03 | O06 | 120.1° | 120.0° |
| C04 | C03 | C02 | 118.3° | 120.0° |
| C03 | C04 | H2 | 110.3° | 109.5° |
| C03 | C04 | H3 | 110.3° | 109.5° |
| F05 | C04 | H2 | 110.3° | 109.5° |
| F05 | C04 | H3 | 110.3° | 109.5° |
| O06 | C03 | C02 | 121.6° | 120.0° |
| C03 | C02 | O07 | 120.0° | 120.0° |
| C03 | C02 | O01 | 121.0° | 120.0° |
| O07 | C02 | O01 | 119.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| H2 | C04 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | F05 | H2 | 119.5° | 120.0° |
| C03 | C04 | F05 | H3 | 119.5° | 120.0° |
| C04 | C03 | O06 | C02 | 179.3° | 180.0° |
| C04 | C03 | C02 | O07 | 100.2° | 0.0° |
| C04 | C03 | C02 | O01 | 79.1° | 180.0° |
| C03 | C04 | H2 | H3 | 121.5° | 120.0° |
| F05 | C04 | C03 | O06 | 172.3° | 0.0° |
| F05 | C04 | C03 | C02 | 7.0° | 180.0° |
| F05 | C04 | H2 | H3 | 121.5° | 120.0° |
| O06 | C03 | C02 | O07 | 79.2° | 180.0° |
| O06 | C03 | C02 | O01 | 101.6° | 0.0° |
| O06 | C03 | C04 | H2 | 68.2° | 120.0° |
| O06 | C03 | C04 | H3 | 52.8° | 120.0° |
| C03 | C02 | O07 | O01 | 179.3° | 180.0° |
| C03 | C02 | O01 | H1 | 179.3° | 180.0° |
| C02 | C03 | C04 | H2 | 112.5° | 60.0° |
| C02 | C03 | C04 | H3 | 126.5° | 60.0° |
| O07 | C02 | O01 | H1 | 0.0° | 0.0° |
