7DH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C02 | C03 | doub | 1.34Å | 1.34Å | |
| O08 | C04 | doub | 1.21Å | 1.22Å | |
| C03 | C04 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | sing | 1.49Å | 1.50Å | |
| C05 | O06 | doub | 1.21Å | 1.26Å | |
| C05 | O07 | sing | 1.35Å | 1.26Å | |
| C01 | O1 | sing | 1.43Å | 1.29Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| O07 | H7 | sing | 0.97Å | 0.95Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 117.8° | 120.0° |
| C02 | C01 | O1 | 138.9° | 109.5° |
| C02 | C01 | H1 | 101.7° | 109.5° |
| C02 | C01 | H2 | 101.7° | 109.5° |
| C01 | C02 | H3 | 121.1° | 120.0° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C03 | C02 | H3 | 121.1° | 120.0° |
| C02 | C03 | H5 | 120.0° | 120.0° |
| O08 | C04 | C03 | 123.2° | 120.0° |
| O08 | C04 | C05 | 120.2° | 120.0° |
| C03 | C04 | C05 | 116.5° | 120.0° |
| C04 | C03 | H5 | 120.0° | 120.0° |
| C04 | C05 | O06 | 119.8° | 120.0° |
| C04 | C05 | O07 | 119.0° | 120.0° |
| O06 | C05 | O07 | 121.2° | 119.9° |
| C05 | O07 | H7 | 109.5° | 117.1° |
| O1 | C01 | H1 | 101.7° | 109.5° |
| O1 | C01 | H2 | 101.7° | 109.4° |
| C01 | O1 | H8 | 109.5° | 114.1° |
| H1 | C01 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 131.6° | 179.9° |
| C02 | C01 | O1 | H1 | 123.5° | 120.1° |
| C02 | C01 | O1 | H2 | 123.5° | 120.0° |
| C02 | C01 | H1 | H2 | 107.0° | 120.0° |
| C01 | C02 | C03 | H5 | 48.4° | 0.0° |
| C02 | C01 | O1 | H8 | 180.0° | 179.9° |
| C02 | C03 | C04 | O08 | 17.1° | 0.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 163.2° | 180.0° |
| C03 | C02 | C01 | O1 | 66.7° | 135.0° |
| C03 | C02 | C01 | H1 | 56.8° | 105.0° |
| C03 | C02 | C01 | H2 | 169.8° | 15.0° |
| O08 | C04 | C03 | C05 | 179.6° | 180.0° |
| O08 | C04 | C05 | O06 | 9.8° | 180.0° |
| O08 | C04 | C05 | O07 | 170.5° | 0.0° |
| O08 | C04 | C03 | H5 | 162.8° | 180.0° |
| C03 | C04 | C05 | O06 | 170.6° | 0.0° |
| C03 | C04 | C05 | O07 | 9.1° | 180.0° |
| C04 | C03 | C02 | H3 | 48.4° | 0.0° |
| C04 | C05 | O06 | O07 | 179.7° | 180.0° |
| C05 | C04 | C03 | H5 | 16.8° | 0.0° |
| C04 | C05 | O07 | H7 | 179.7° | 180.0° |
| O06 | C05 | O07 | H7 | 0.0° | 0.1° |
| O1 | C01 | H1 | H2 | 107.0° | 119.9° |
| O1 | C01 | C02 | H3 | 113.3° | 45.1° |
| H1 | C01 | C02 | H3 | 123.2° | 74.9° |
| H1 | C01 | O1 | H8 | 56.5° | 60.0° |
| H2 | C01 | C02 | H3 | 10.2° | 165.1° |
| H2 | C01 | O1 | H8 | 56.5° | 60.0° |
| H3 | C02 | C03 | H5 | 131.5° | 179.9° |
