69O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.21Å | 1.22Å | |
| O07 | C06 | doub | 1.21Å | 1.27Å | |
| C04 | C06 | sing | 1.49Å | 1.53Å | |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| C06 | O08 | sing | 1.35Å | 1.26Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C03 | C02 | sing | 1.53Å | 1.51Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| O08 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | C06 | 120.8° | 120.0° |
| O05 | C04 | C03 | 118.2° | 120.0° |
| O07 | C06 | C04 | 121.1° | 120.0° |
| O07 | C06 | O08 | 119.0° | 120.0° |
| C06 | C04 | C03 | 120.9° | 120.0° |
| C04 | C06 | O08 | 119.9° | 120.0° |
| C04 | C03 | C02 | 110.1° | 109.4° |
| C04 | C03 | H031 | 109.3° | 109.5° |
| C04 | C03 | H032 | 109.3° | 109.5° |
| C06 | O08 | H1 | 109.5° | 117.0° |
| C01 | C02 | C03 | 113.6° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H022 | 108.4° | 109.4° |
| C01 | C02 | H021 | 108.4° | 109.4° |
| C03 | C02 | H022 | 108.4° | 109.5° |
| C03 | C02 | H021 | 108.4° | 109.5° |
| C02 | C03 | H031 | 109.3° | 109.5° |
| C02 | C03 | H032 | 109.3° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | C06 | O07 | 14.0° | 180.0° |
| O05 | C04 | C06 | C03 | 179.3° | 180.0° |
| O05 | C04 | C06 | O08 | 166.3° | 0.0° |
| O05 | C04 | C03 | C02 | 83.0° | 0.0° |
| O05 | C04 | C03 | H031 | 37.1° | 120.0° |
| O05 | C04 | C03 | H032 | 156.9° | 120.0° |
| O07 | C06 | C04 | O08 | 179.7° | 180.0° |
| O07 | C06 | C04 | C03 | 166.7° | 0.0° |
| O07 | C06 | O08 | H1 | 0.0° | 0.0° |
| C06 | C04 | C03 | C02 | 96.3° | 180.0° |
| C06 | C04 | C03 | H031 | 143.6° | 60.0° |
| C06 | C04 | C03 | H032 | 23.8° | 60.0° |
| C04 | C06 | O08 | H1 | 179.7° | 180.0° |
| C03 | C04 | C06 | O08 | 13.0° | 180.0° |
| C04 | C03 | C02 | C01 | 117.1° | 180.0° |
| C04 | C03 | C02 | H031 | 120.1° | 120.0° |
| C04 | C03 | C02 | H032 | 120.1° | 120.0° |
| C04 | C03 | C02 | H022 | 3.5° | 60.0° |
| C04 | C03 | C02 | H021 | 122.3° | 60.0° |
| C04 | C03 | H031 | H032 | 119.8° | 120.1° |
| C01 | C02 | C03 | H022 | 120.6° | 120.0° |
| C01 | C02 | C03 | H021 | 120.6° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 118.1° | 119.9° |
| C01 | C02 | C03 | H031 | 3.0° | 60.0° |
| C01 | C02 | C03 | H032 | 122.8° | 60.0° |
| C03 | C02 | C01 | H013 | 180.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | H022 | H021 | 118.1° | 120.1° |
| C02 | C03 | H031 | H032 | 119.7° | 120.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H022 | 59.4° | 60.0° |
| H013 | C01 | C02 | H021 | 59.4° | 60.0° |
| H012 | C01 | C02 | H022 | 60.6° | 60.0° |
| H012 | C01 | C02 | H021 | 179.4° | 180.0° |
| H011 | C01 | C02 | H022 | 179.3° | 180.0° |
| H011 | C01 | C02 | H021 | 60.6° | 60.0° |
| H022 | C02 | C03 | H031 | 123.6° | 180.0° |
| H022 | C02 | C03 | H032 | 116.6° | 60.0° |
| H021 | C02 | C03 | H031 | 117.6° | 60.0° |
| H021 | C02 | C03 | H032 | 2.2° | 180.0° |
