QA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | doub | 1.21Å | 1.24Å | |
| O07 | C05 | sing | 1.34Å | 1.23Å | |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C08 | sing | 1.51Å | 1.52Å | |
| O11 | C10 | doub | 1.21Å | 1.26Å | |
| C08 | C10 | sing | 1.49Å | 1.49Å | |
| C08 | O09 | doub | 1.21Å | 1.20Å | |
| C10 | O12 | sing | 1.35Å | 1.26Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| O07 | H1 | sing | 0.97Å | 0.95Å | |
| O12 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | O07 | 120.9° | 120.0° |
| O06 | C05 | C04 | 119.4° | 120.0° |
| O07 | C05 | C04 | 119.7° | 120.0° |
| C05 | O07 | H1 | 109.5° | 117.0° |
| C05 | C04 | C03 | 114.4° | 109.5° |
| C05 | C04 | H041 | 108.2° | 109.4° |
| C05 | C04 | H042 | 108.2° | 109.5° |
| C04 | C03 | C02 | 106.0° | 109.5° |
| C04 | C03 | C08 | 113.0° | 109.5° |
| C04 | C03 | H031 | 109.6° | 109.5° |
| C03 | C04 | H041 | 108.3° | 109.5° |
| C03 | C04 | H042 | 108.2° | 109.5° |
| C03 | C02 | C01 | 112.2° | 109.4° |
| C02 | C03 | C08 | 109.1° | 109.5° |
| C03 | C02 | H021 | 108.8° | 109.5° |
| C03 | C02 | H022 | 108.8° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C01 | C02 | H022 | 108.8° | 109.5° |
| C03 | C08 | C10 | 119.3° | 120.0° |
| C03 | C08 | O09 | 124.0° | 120.0° |
| C08 | C03 | H031 | 109.7° | 109.5° |
| O11 | C10 | C08 | 120.1° | 120.0° |
| O11 | C10 | O12 | 124.6° | 120.0° |
| C10 | C08 | O09 | 116.7° | 120.0° |
| C08 | C10 | O12 | 115.3° | 120.0° |
| C10 | O12 | H2 | 109.5° | 117.0° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | O07 | C04 | 179.7° | 180.0° |
| O06 | C05 | C04 | C03 | 154.2° | 0.0° |
| O06 | C05 | C04 | H041 | 33.5° | 120.0° |
| O06 | C05 | C04 | H042 | 85.0° | 120.0° |
| O06 | C05 | O07 | H1 | 0.0° | 0.1° |
| O07 | C05 | C04 | C03 | 25.4° | 180.0° |
| O07 | C05 | C04 | H041 | 146.2° | 60.0° |
| O07 | C05 | C04 | H042 | 95.3° | 59.9° |
| C05 | C04 | C03 | H041 | 120.7° | 120.0° |
| C05 | C04 | C03 | H042 | 120.7° | 120.0° |
| C05 | C04 | C03 | C02 | 57.2° | 65.0° |
| C05 | C04 | C03 | C08 | 176.7° | 175.0° |
| C05 | C04 | C03 | H031 | 60.7° | 55.0° |
| C05 | C04 | H041 | H042 | 117.8° | 120.0° |
| C04 | C05 | O07 | H1 | 179.7° | 180.0° |
| C04 | C03 | C02 | C08 | 122.0° | 120.0° |
| C04 | C03 | C02 | H031 | 118.0° | 120.0° |
| C04 | C03 | C02 | C01 | 178.8° | 175.0° |
| C04 | C03 | C08 | H031 | 122.6° | 120.0° |
| C04 | C03 | C08 | C10 | 48.0° | 155.0° |
| C04 | C03 | C08 | O09 | 132.0° | 25.0° |
| C04 | C03 | C02 | H021 | 60.8° | 65.0° |
| C04 | C03 | C02 | H022 | 58.4° | 55.0° |
| C03 | C04 | H041 | H042 | 117.8° | 120.0° |
| C03 | C02 | C01 | H021 | 120.4° | 120.0° |
| C03 | C02 | C01 | H022 | 120.4° | 120.0° |
| C02 | C03 | C08 | H031 | 119.8° | 120.0° |
| C02 | C03 | C08 | C10 | 165.6° | 85.0° |
| C02 | C03 | C08 | O09 | 14.4° | 95.0° |
| C03 | C02 | C01 | H012 | 180.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 180.0° |
| C03 | C02 | H021 | H022 | 118.7° | 120.0° |
| C02 | C03 | C04 | H041 | 63.5° | 175.0° |
| C02 | C03 | C04 | H042 | 177.9° | 55.0° |
| C01 | C02 | C03 | C08 | 56.8° | 65.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 118.7° | 120.0° |
| C01 | C02 | C03 | H031 | 63.1° | 55.0° |
| C03 | C08 | C10 | O11 | 0.5° | 0.4° |
| C03 | C08 | C10 | O09 | 180.0° | 180.0° |
| C03 | C08 | C10 | O12 | 179.2° | 180.0° |
| C08 | C03 | C02 | H021 | 177.3° | 55.0° |
| C08 | C03 | C02 | H022 | 63.5° | 175.0° |
| C08 | C03 | C04 | H041 | 55.9° | 55.0° |
| C08 | C03 | C04 | H042 | 62.6° | 65.0° |
| O11 | C10 | C08 | O12 | 178.7° | 179.6° |
| O11 | C10 | C08 | O09 | 179.5° | 179.7° |
| O11 | C10 | O12 | H2 | 0.0° | 0.3° |
| C10 | C08 | C03 | H031 | 74.6° | 35.0° |
| C08 | C10 | O12 | H2 | 178.6° | 179.9° |
| O09 | C08 | C10 | O12 | 0.8° | 0.0° |
| O09 | C08 | C03 | H031 | 105.5° | 145.0° |
| H012 | C01 | H013 | H011 | 120.0° | 119.9° |
| H012 | C01 | C02 | H021 | 59.6° | 59.9° |
| H012 | C01 | C02 | H022 | 59.6° | 179.9° |
| H013 | C01 | C02 | H021 | 179.6° | 180.0° |
| H013 | C01 | C02 | H022 | 60.4° | 60.0° |
| H011 | C01 | C02 | H021 | 60.4° | 60.0° |
| H011 | C01 | C02 | H022 | 179.6° | 60.0° |
| H021 | C02 | C03 | H031 | 57.3° | 175.0° |
| H022 | C02 | C03 | H031 | 176.5° | 65.0° |
| H031 | C03 | C04 | H041 | 178.6° | 65.0° |
| H031 | C03 | C04 | H042 | 60.0° | 175.0° |
