9YW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | O11 | sing | 1.34Å | 1.25Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| O5 | C1 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.46Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | O11 | 119.4° | 120.0° |
| O12 | C10 | C09 | 120.7° | 120.0° |
| O11 | C10 | C09 | 119.9° | 120.0° |
| C10 | O11 | H10 | 109.5° | 117.0° |
| C10 | C09 | O1 | 107.0° | 109.4° |
| C10 | C09 | H8 | 110.1° | 109.4° |
| C10 | C09 | H9 | 110.1° | 109.5° |
| C09 | O1 | C1 | 116.0° | 114.0° |
| O1 | C09 | H8 | 110.1° | 109.5° |
| O1 | C09 | H9 | 110.1° | 109.5° |
| O1 | C1 | O5 | 108.4° | 109.5° |
| O1 | C1 | C2 | 107.4° | 109.5° |
| O1 | C1 | H1 | 110.8° | 109.4° |
| C5 | O5 | C1 | 114.3° | 114.1° |
| O5 | C5 | C6 | 106.4° | 109.5° |
| O5 | C5 | C4 | 115.8° | 109.5° |
| O5 | C5 | H5 | 108.9° | 109.5° |
| O5 | C1 | C2 | 111.1° | 109.4° |
| O5 | C1 | H1 | 110.0° | 109.5° |
| C6 | C5 | C4 | 109.4° | 109.5° |
| C5 | C6 | O6 | 108.1° | 109.5° |
| C5 | C6 | H61 | 109.8° | 109.5° |
| C5 | C6 | H62 | 109.8° | 109.5° |
| C6 | C5 | H5 | 108.0° | 109.4° |
| C5 | C4 | O4 | 108.6° | 109.6° |
| C5 | C4 | C3 | 114.6° | 109.2° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C5 | C4 | H4 | 107.0° | 109.5° |
| O6 | C6 | H61 | 109.8° | 109.4° |
| O6 | C6 | H62 | 109.8° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| C1 | C2 | C3 | 109.1° | 109.2° |
| C1 | C2 | O2 | 110.6° | 109.5° |
| C1 | C2 | H2 | 107.7° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.6° |
| O4 | C4 | C3 | 110.0° | 109.6° |
| O4 | C4 | H4 | 108.7° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 111.1° | 109.1° |
| C4 | C3 | O3 | 110.8° | 109.5° |
| C3 | C4 | H4 | 107.8° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.6° |
| C3 | C2 | O2 | 111.5° | 109.6° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.5° |
| O3 | C3 | H3 | 108.9° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O2 | C2 | H2 | 109.3° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.4° | 109.4° |
| H8 | C09 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | O11 | C09 | 179.7° | 179.6° |
| O12 | C10 | C09 | O1 | 177.6° | 0.3° |
| O12 | C10 | C09 | H8 | 58.0° | 119.7° |
| O12 | C10 | C09 | H9 | 62.8° | 120.3° |
| O12 | C10 | O11 | H10 | 0.0° | 0.3° |
| O11 | C10 | C09 | O1 | 2.7° | 179.9° |
| O11 | C10 | C09 | H8 | 122.3° | 59.9° |
| O11 | C10 | C09 | H9 | 116.9° | 60.1° |
| C10 | C09 | O1 | H8 | 119.6° | 120.0° |
| C10 | C09 | O1 | H9 | 119.6° | 120.0° |
| C10 | C09 | O1 | C1 | 152.9° | 180.0° |
| C10 | C09 | H8 | H9 | 121.1° | 120.0° |
| C09 | C10 | O11 | H10 | 179.7° | 180.0° |
| C09 | O1 | C1 | O5 | 69.1° | 70.0° |
| C09 | O1 | C1 | C2 | 170.9° | 170.0° |
| C09 | O1 | C1 | H1 | 51.7° | 50.0° |
| O1 | C09 | H8 | H9 | 121.2° | 120.0° |
| O1 | C1 | O5 | C5 | 66.6° | 58.9° |
| O1 | C1 | O5 | C2 | 117.8° | 120.0° |
| O1 | C1 | O5 | H1 | 121.3° | 119.9° |
| O1 | C1 | C2 | H1 | 120.2° | 120.0° |
| O1 | C1 | C2 | C3 | 55.2° | 62.4° |
| O1 | C1 | C2 | O2 | 67.9° | 57.5° |
| O1 | C1 | C2 | H2 | 172.8° | 177.6° |
| C1 | O1 | C09 | H8 | 87.5° | 60.1° |
| C1 | O1 | C09 | H9 | 33.3° | 60.0° |
| O5 | C5 | C6 | C4 | 125.8° | 120.0° |
| O5 | C5 | C6 | H5 | 116.8° | 120.0° |
| O5 | C5 | C4 | H5 | 122.4° | 120.0° |
| O5 | C5 | C6 | O6 | 68.7° | 65.0° |
| C5 | O5 | C1 | C2 | 51.2° | 61.1° |
| O5 | C5 | C4 | O4 | 158.7° | 177.5° |
| O5 | C5 | C4 | C3 | 35.3° | 57.6° |
| O5 | C5 | C6 | H61 | 51.1° | 175.0° |
| O5 | C5 | C6 | H62 | 171.5° | 55.0° |
| O5 | C5 | C4 | H4 | 84.1° | 62.3° |
| C5 | O5 | C1 | H1 | 172.1° | 178.8° |
| C1 | O5 | C5 | C6 | 159.4° | 178.9° |
| C1 | O5 | C5 | C4 | 37.5° | 61.1° |
| O5 | C1 | C2 | H1 | 121.4° | 120.0° |
| O5 | C1 | C2 | C3 | 63.2° | 57.6° |
| O5 | C1 | C2 | O2 | 173.8° | 177.5° |
| C1 | O5 | C5 | H5 | 84.4° | 58.9° |
| O5 | C1 | C2 | H2 | 54.4° | 62.4° |
| C6 | C5 | C4 | H5 | 117.3° | 119.9° |
| C5 | C6 | O6 | H61 | 119.8° | 120.1° |
| C5 | C6 | O6 | H62 | 119.8° | 120.0° |
| C6 | C5 | C4 | O4 | 81.0° | 62.5° |
| C6 | C5 | C4 | C3 | 155.6° | 177.6° |
| C5 | C6 | H61 | H62 | 120.6° | 120.0° |
| C6 | C5 | C4 | H4 | 36.1° | 57.7° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 57.1° | 175.0° |
| C5 | C4 | O4 | C3 | 126.1° | 119.7° |
| C5 | C4 | O4 | H4 | 116.1° | 120.1° |
| C5 | C4 | C3 | H4 | 119.0° | 119.8° |
| C5 | C4 | C3 | C2 | 47.2° | 56.9° |
| C5 | C4 | C3 | O3 | 169.8° | 176.8° |
| C4 | C5 | C6 | H61 | 176.9° | 55.0° |
| C4 | C5 | C6 | H62 | 62.7° | 65.0° |
| C5 | C4 | C3 | H3 | 71.1° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| O6 | C6 | H61 | H62 | 120.7° | 119.9° |
| O6 | C6 | C5 | H5 | 174.4° | 55.0° |
| C1 | C2 | C3 | C4 | 60.6° | 56.9° |
| C1 | C2 | C3 | O2 | 122.5° | 119.9° |
| C1 | C2 | C3 | H2 | 117.1° | 119.9° |
| C1 | C2 | C3 | O3 | 176.4° | 176.8° |
| C1 | C2 | O2 | H2 | 118.4° | 120.1° |
| C1 | C2 | C3 | H3 | 57.6° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| O4 | C4 | C3 | H4 | 118.4° | 120.2° |
| O4 | C4 | C3 | C2 | 169.8° | 176.9° |
| O4 | C4 | C3 | O3 | 67.6° | 63.2° |
| O4 | C4 | C5 | H5 | 36.3° | 57.5° |
| O4 | C4 | C3 | H3 | 51.5° | 57.1° |
| C4 | C3 | C2 | O3 | 123.0° | 119.9° |
| C4 | C3 | C2 | H3 | 118.2° | 119.9° |
| C4 | C3 | O3 | H3 | 118.5° | 120.2° |
| C4 | C3 | C2 | O2 | 176.9° | 176.9° |
| C3 | C4 | C5 | H5 | 87.1° | 62.5° |
| C4 | C3 | C2 | H2 | 56.5° | 63.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.9° |
| C3 | C4 | O4 | HO4 | 53.9° | 60.3° |
| C2 | C3 | O3 | H3 | 118.3° | 120.2° |
| C3 | C2 | O2 | H2 | 120.0° | 120.1° |
| C2 | C3 | C4 | H4 | 71.8° | 62.9° |
| C3 | C2 | C1 | H1 | 175.4° | 177.6° |
| C3 | C2 | O2 | HO2 | 58.3° | 180.0° |
| C2 | C3 | O3 | HO3 | 56.8° | 60.5° |
| O3 | C3 | C2 | O2 | 53.9° | 63.2° |
| O3 | C3 | C4 | H4 | 50.8° | 57.0° |
| O3 | C3 | C2 | H2 | 66.5° | 56.9° |
| O2 | C2 | C3 | H3 | 64.9° | 57.0° |
| O2 | C2 | C1 | H1 | 52.3° | 62.5° |
| H61 | C6 | C5 | H5 | 65.8° | 65.0° |
| H61 | C6 | O6 | HO6 | 60.2° | 59.9° |
| H62 | C6 | C5 | H5 | 54.6° | 175.0° |
| H62 | C6 | O6 | HO6 | 60.2° | 60.0° |
| H5 | C5 | C4 | H4 | 153.5° | 177.7° |
| H4 | C4 | C3 | H3 | 169.9° | 177.3° |
| H4 | C4 | O4 | HO4 | 63.9° | 59.9° |
| H3 | C3 | C2 | H2 | 174.7° | 177.1° |
| H3 | C3 | O3 | HO3 | 61.5° | 59.7° |
| H2 | C2 | C1 | H1 | 67.0° | 57.7° |
| H2 | C2 | O2 | HO2 | 61.7° | 59.8° |
