7QD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | doub | 1.21Å | 1.26Å | |
| O05 | C03 | sing | 1.35Å | 1.26Å | |
| C03 | C02 | sing | 1.49Å | 1.49Å | |
| C02 | C06 | sing | 1.51Å | 1.50Å | |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| C06 | C07 | sing | 1.53Å | 1.50Å | |
| O08 | C07 | sing | 1.43Å | 1.38Å | |
| C07 | C12 | sing | 1.53Å | 1.50Å | |
| C07 | C09 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| O15 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | O14 | sing | 1.34Å | 1.26Å | |
| C09 | O10 | doub | 1.21Å | 1.26Å | |
| C09 | O11 | sing | 1.34Å | 1.26Å | |
| O05 | H1 | sing | 0.97Å | 0.95Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O14 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | O05 | 120.1° | 120.0° |
| O04 | C03 | C02 | 120.4° | 120.0° |
| O05 | C03 | C02 | 119.5° | 120.0° |
| C03 | O05 | H1 | 109.5° | 117.0° |
| C03 | C02 | C06 | 120.0° | 120.0° |
| C03 | C02 | O01 | 118.7° | 120.0° |
| C06 | C02 | O01 | 121.3° | 120.0° |
| C02 | C06 | C07 | 119.4° | 109.5° |
| C02 | C06 | H062 | 107.0° | 109.5° |
| C02 | C06 | H061 | 106.9° | 109.5° |
| C06 | C07 | O08 | 110.7° | 109.5° |
| C06 | C07 | C12 | 110.6° | 109.5° |
| C06 | C07 | C09 | 107.7° | 109.5° |
| C07 | C06 | H062 | 106.9° | 109.4° |
| C07 | C06 | H061 | 107.0° | 109.5° |
| O08 | C07 | C12 | 110.3° | 109.5° |
| O08 | C07 | C09 | 109.7° | 109.5° |
| C07 | O08 | H081 | 109.5° | 114.0° |
| C12 | C07 | C09 | 107.7° | 109.4° |
| C07 | C12 | C13 | 118.5° | 109.5° |
| C07 | C12 | H121 | 107.2° | 109.5° |
| C07 | C12 | H122 | 107.2° | 109.4° |
| C07 | C09 | O10 | 119.6° | 120.0° |
| C07 | C09 | O11 | 119.9° | 120.0° |
| C12 | C13 | O15 | 120.3° | 120.0° |
| C12 | C13 | O14 | 120.2° | 120.0° |
| C13 | C12 | H121 | 107.2° | 109.5° |
| C13 | C12 | H122 | 107.2° | 109.4° |
| O15 | C13 | O14 | 119.5° | 120.0° |
| C13 | O14 | H3 | 109.5° | 117.0° |
| O10 | C09 | O11 | 120.5° | 120.0° |
| C09 | O11 | H2 | 109.5° | 117.0° |
| H062 | C06 | H061 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | O05 | C02 | 180.0° | 179.9° |
| O04 | C03 | C02 | C06 | 17.4° | 0.1° |
| O04 | C03 | C02 | O01 | 162.4° | 179.8° |
| O04 | C03 | O05 | H1 | 0.0° | 0.1° |
| O05 | C03 | C02 | C06 | 162.7° | 180.0° |
| O05 | C03 | C02 | O01 | 17.6° | 0.3° |
| C03 | C02 | C06 | O01 | 179.7° | 179.7° |
| C03 | C02 | C06 | C07 | 171.4° | 179.7° |
| C02 | C03 | O05 | H1 | 180.0° | 180.0° |
| C03 | C02 | C06 | H062 | 67.2° | 60.3° |
| C03 | C02 | C06 | H061 | 50.0° | 59.7° |
| C02 | C06 | C07 | H062 | 121.4° | 120.0° |
| C02 | C06 | C07 | H061 | 121.4° | 120.0° |
| C02 | C06 | C07 | O08 | 65.7° | 60.0° |
| C02 | C06 | C07 | C12 | 171.8° | 180.0° |
| C02 | C06 | C07 | C09 | 54.3° | 60.0° |
| C02 | C06 | H062 | H061 | 115.5° | 120.0° |
| O01 | C02 | C06 | C07 | 8.8° | 0.0° |
| O01 | C02 | C06 | H062 | 112.6° | 120.0° |
| O01 | C02 | C06 | H061 | 130.2° | 120.0° |
| C06 | C07 | O08 | C12 | 122.7° | 120.0° |
| C06 | C07 | O08 | C09 | 118.7° | 120.0° |
| C06 | C07 | C12 | C09 | 117.4° | 120.0° |
| C06 | C07 | C12 | C13 | 168.6° | 175.1° |
| C06 | C07 | C09 | O10 | 120.9° | 120.0° |
| C06 | C07 | C09 | O11 | 59.2° | 60.0° |
| C07 | C06 | H062 | H061 | 115.5° | 120.0° |
| C06 | C07 | O08 | H081 | 118.9° | 60.0° |
| C06 | C07 | C12 | H121 | 47.3° | 55.0° |
| C06 | C07 | C12 | H122 | 70.1° | 65.0° |
| O08 | C07 | C12 | C09 | 119.7° | 120.0° |
| O08 | C07 | C12 | C13 | 68.6° | 64.9° |
| O08 | C07 | C09 | O10 | 0.3° | 0.0° |
| O08 | C07 | C09 | O11 | 179.8° | 180.0° |
| O08 | C07 | C06 | H062 | 172.9° | 180.0° |
| O08 | C07 | C06 | H061 | 55.8° | 60.0° |
| O08 | C07 | C12 | H121 | 170.1° | 175.0° |
| O08 | C07 | C12 | H122 | 52.7° | 55.0° |
| C07 | C12 | C13 | H121 | 121.3° | 120.1° |
| C07 | C12 | C13 | H122 | 121.3° | 119.9° |
| C07 | C12 | C13 | O15 | 136.4° | 0.1° |
| C07 | C12 | C13 | O14 | 44.0° | 180.0° |
| C12 | C07 | C09 | O10 | 119.8° | 120.0° |
| C12 | C07 | C09 | O11 | 60.1° | 60.0° |
| C12 | C07 | C06 | H062 | 50.3° | 60.0° |
| C12 | C07 | C06 | H061 | 66.8° | 60.0° |
| C12 | C07 | O08 | H081 | 118.3° | 60.0° |
| C07 | C12 | H121 | H122 | 115.9° | 120.0° |
| C09 | C07 | C12 | C13 | 51.1° | 55.1° |
| C07 | C09 | O10 | O11 | 179.9° | 180.0° |
| C09 | C07 | C06 | H062 | 67.1° | 60.0° |
| C09 | C07 | C06 | H061 | 175.7° | 180.0° |
| C09 | C07 | O08 | H081 | 0.2° | 180.0° |
| C07 | C09 | O11 | H2 | 179.9° | 180.0° |
| C09 | C07 | C12 | H121 | 70.1° | 65.0° |
| C09 | C07 | C12 | H122 | 172.4° | 175.0° |
| C12 | C13 | O15 | O14 | 179.6° | 179.9° |
| C13 | C12 | H121 | H122 | 115.9° | 120.0° |
| C12 | C13 | O14 | H3 | 179.6° | 180.0° |
| O15 | C13 | C12 | H121 | 102.3° | 120.0° |
| O15 | C13 | C12 | H122 | 15.1° | 120.0° |
| O15 | C13 | O14 | H3 | 0.0° | 0.1° |
| O14 | C13 | C12 | H121 | 77.3° | 59.9° |
| O14 | C13 | C12 | H122 | 165.3° | 60.1° |
| O10 | C09 | O11 | H2 | 0.0° | 0.0° |
