9TY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C08 | C03 | sing | 1.53Å | 1.53Å | |
| O06 | C04 | doub | 1.21Å | 1.26Å | |
| C07 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.51Å | 1.52Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C04 | O05 | sing | 1.34Å | 1.27Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O09 | sing | 1.34Å | 1.26Å | |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| O05 | H5 | sing | 0.97Å | 0.95Å | |
| O09 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C03 | 60.3° | 60.0° |
| C08 | C07 | C03 | 59.9° | 60.0° |
| C08 | C07 | H1 | 120.0° | 117.5° |
| C08 | C07 | H2 | 120.0° | 117.5° |
| C07 | C08 | H3 | 119.9° | 117.5° |
| C07 | C08 | H4 | 119.9° | 117.5° |
| C08 | C03 | C07 | 59.7° | 60.0° |
| C08 | C03 | C04 | 115.3° | 117.5° |
| C08 | C03 | C02 | 117.0° | 117.5° |
| C03 | C08 | H3 | 120.0° | 117.5° |
| C03 | C08 | H4 | 119.9° | 117.5° |
| O06 | C04 | C03 | 114.6° | 120.0° |
| O06 | C04 | O05 | 123.4° | 120.0° |
| C07 | C03 | C04 | 117.4° | 117.5° |
| C07 | C03 | C02 | 115.2° | 117.5° |
| C03 | C07 | H1 | 120.0° | 117.4° |
| C03 | C07 | H2 | 120.0° | 117.5° |
| C04 | C03 | C02 | 118.7° | 115.6° |
| C03 | C04 | O05 | 122.0° | 120.0° |
| C03 | C02 | O01 | 118.8° | 120.0° |
| C03 | C02 | O09 | 121.0° | 120.0° |
| C04 | O05 | H5 | 109.5° | 117.0° |
| O01 | C02 | O09 | 120.2° | 120.0° |
| C02 | O09 | H6 | 109.5° | 117.0° |
| H1 | C07 | H2 | 109.4° | 115.6° |
| H3 | C08 | H4 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C03 | H3 | 109.6° | 107.5° |
| C07 | C08 | C03 | H4 | 109.6° | 107.5° |
| C08 | C07 | C03 | H1 | 109.4° | 107.5° |
| C08 | C07 | C03 | H2 | 109.5° | 107.5° |
| C07 | C08 | C03 | C04 | 108.2° | 107.5° |
| C07 | C08 | C03 | C02 | 104.9° | 107.5° |
| C08 | C07 | H1 | H2 | 144.8° | 145.7° |
| C07 | C08 | H3 | H4 | 144.6° | 145.7° |
| C08 | C03 | C04 | O06 | 51.1° | 68.7° |
| C08 | C03 | C04 | C02 | 146.3° | 145.7° |
| C08 | C03 | C04 | O05 | 129.4° | 111.3° |
| C08 | C03 | C02 | O01 | 44.0° | 68.7° |
| C08 | C03 | C02 | O09 | 136.9° | 111.0° |
| C03 | C08 | H3 | H4 | 144.5° | 145.7° |
| O06 | C04 | C03 | C07 | 16.4° | 0.0° |
| O06 | C04 | C03 | O05 | 179.5° | 179.9° |
| O06 | C04 | C03 | C02 | 162.6° | 145.6° |
| O06 | C04 | O05 | H5 | 0.0° | 0.0° |
| C07 | C03 | C04 | C02 | 146.2° | 145.6° |
| C07 | C03 | C04 | O05 | 163.1° | 179.9° |
| C07 | C03 | C02 | O01 | 23.4° | 0.1° |
| C07 | C03 | C02 | O09 | 155.8° | 179.7° |
| C03 | C07 | H1 | H2 | 144.8° | 145.7° |
| C04 | C03 | C02 | O01 | 170.3° | 145.5° |
| C04 | C03 | C02 | O09 | 8.9° | 34.7° |
| C04 | C03 | C07 | H1 | 4.6° | 145.0° |
| C04 | C03 | C07 | H2 | 145.7° | 0.0° |
| C04 | C03 | C08 | H3 | 142.2° | 0.0° |
| C04 | C03 | C08 | H4 | 1.4° | 145.0° |
| C03 | C04 | O05 | H5 | 179.5° | 180.0° |
| C02 | C03 | C04 | O05 | 17.0° | 34.4° |
| C03 | C02 | O01 | O09 | 179.2° | 179.8° |
| C02 | C03 | C07 | H1 | 142.7° | 0.1° |
| C02 | C03 | C07 | H2 | 1.7° | 145.0° |
| C02 | C03 | C08 | H3 | 4.7° | 145.0° |
| C02 | C03 | C08 | H4 | 145.6° | 0.0° |
| C03 | C02 | O09 | H6 | 179.2° | 179.8° |
| O01 | C02 | O09 | H6 | 0.0° | 0.0° |
| H1 | C07 | C08 | H3 | 140.9° | 145.1° |
| H1 | C07 | C08 | H4 | 0.1° | 0.0° |
| H2 | C07 | C08 | H3 | 0.1° | 0.0° |
| H2 | C07 | C08 | H4 | 141.0° | 145.1° |
