Obsolete: LB2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1D | C1D | sing | 1.43Å | 1.43Å | |
| C1D | O5D | sing | 1.43Å | 1.44Å | |
| C1D | C2D | sing | 1.53Å | 1.54Å | |
| C2D | O2D | sing | 1.43Å | 1.44Å | |
| C2D | C3D | sing | 1.53Å | 1.54Å | |
| O5D | C5D | sing | 1.43Å | 1.40Å | |
| C5D | C4D | sing | 1.53Å | 1.55Å | |
| C5D | C6D | sing | 1.53Å | 1.53Å | |
| C6D | O6D | sing | 1.43Å | 1.43Å | |
| C4D | C3D | sing | 1.53Å | 1.54Å | |
| C4D | O4D | sing | 1.43Å | 1.43Å | |
| C3D | O3D | sing | 1.43Å | 1.45Å | |
| O3D | C1E | sing | 1.43Å | 1.41Å | |
| C1E | C2E | sing | 1.53Å | 1.52Å | |
| C1E | O5E | sing | 1.43Å | 1.44Å | |
| C2E | O2E | sing | 1.43Å | 1.42Å | |
| C2E | C3E | sing | 1.53Å | 1.53Å | |
| C3E | O3E | sing | 1.43Å | 1.43Å | |
| C3E | C4E | sing | 1.53Å | 1.52Å | |
| C4E | C5E | sing | 1.53Å | 1.52Å | |
| C4E | O4E | sing | 1.43Å | 1.42Å | |
| O5E | C5E | sing | 1.43Å | 1.43Å | |
| C5E | C6E | sing | 1.53Å | 1.53Å | |
| C6E | O6E | sing | 1.43Å | 1.44Å | |
| O1D | HO1D | sing | 0.97Å | 0.95Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C6D | H6D | sing | 1.09Å | 1.10Å | |
| C6D | H6DA | sing | 1.09Å | 1.10Å | |
| O6D | HO6D | sing | 0.97Å | 0.95Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | HO4D | sing | 0.97Å | 0.95Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| C1E | H1E | sing | 1.09Å | 1.10Å | |
| C2E | H2E | sing | 1.09Å | 1.10Å | |
| O2E | HO2E | sing | 0.97Å | 0.95Å | |
| C3E | H3E | sing | 1.09Å | 1.10Å | |
| O3E | HO3E | sing | 0.97Å | 0.95Å | |
| C4E | H4E | sing | 1.09Å | 1.10Å | |
| O4E | HO4E | sing | 0.97Å | 0.95Å | |
| C5E | H5E | sing | 1.09Å | 1.10Å | |
| C6E | H6E | sing | 1.09Å | 1.10Å | |
| C6E | H6EA | sing | 1.09Å | 1.10Å | |
| O6E | HO6E | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1D | C1D | O5D | 107.7° | 109.5° |
| O1D | C1D | C2D | 111.0° | 109.4° |
| C1D | O1D | HO1D | 109.5° | 114.0° |
| O1D | C1D | H1D | 110.6° | 109.5° |
| O5D | C1D | C2D | 108.2° | 109.4° |
| C1D | O5D | C5D | 110.9° | 114.0° |
| O5D | C1D | H1D | 110.3° | 109.5° |
| C1D | C2D | O2D | 111.4° | 109.5° |
| C1D | C2D | C3D | 110.1° | 109.2° |
| C2D | C1D | H1D | 109.1° | 109.5° |
| C1D | C2D | H2D | 108.1° | 109.5° |
| O2D | C2D | C3D | 109.4° | 109.5° |
| O2D | C2D | H2D | 109.5° | 109.5° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| C2D | C3D | C4D | 109.1° | 109.0° |
| C2D | C3D | O3D | 108.2° | 109.6° |
| C3D | C2D | H2D | 108.2° | 109.6° |
| C2D | C3D | H3D | 108.0° | 109.5° |
| O5D | C5D | C4D | 107.5° | 109.4° |
| O5D | C5D | C6D | 110.9° | 109.4° |
| O5D | C5D | H5D | 109.6° | 109.5° |
| C4D | C5D | C6D | 113.4° | 109.4° |
| C5D | C4D | C3D | 110.3° | 109.1° |
| C5D | C4D | O4D | 107.7° | 109.5° |
| C4D | C5D | H5D | 107.6° | 109.5° |
| C5D | C4D | H4D | 107.8° | 109.5° |
| C5D | C6D | O6D | 109.8° | 109.5° |
| C6D | C5D | H5D | 107.8° | 109.5° |
| C5D | C6D | H6D | 109.4° | 109.5° |
| C5D | C6D | H6DA | 109.4° | 109.5° |
| O6D | C6D | H6D | 109.4° | 109.4° |
| O6D | C6D | H6DA | 109.4° | 109.5° |
| C6D | O6D | HO6D | 109.5° | 114.0° |
| C3D | C4D | O4D | 113.5° | 109.5° |
| C4D | C3D | O3D | 114.4° | 109.5° |
| C3D | C4D | H4D | 108.0° | 109.5° |
| C4D | C3D | H3D | 108.0° | 109.5° |
| O4D | C4D | H4D | 109.4° | 109.6° |
| C4D | O4D | HO4D | 109.5° | 114.0° |
| C3D | O3D | C1E | 113.5° | 114.0° |
| O3D | C3D | H3D | 109.0° | 109.6° |
| O3D | C1E | C2E | 108.6° | 109.5° |
| O3D | C1E | O5E | 108.5° | 109.5° |
| O3D | C1E | H1E | 111.2° | 109.5° |
| C2E | C1E | O5E | 108.2° | 109.4° |
| C1E | C2E | O2E | 111.0° | 109.5° |
| C1E | C2E | C3E | 106.0° | 109.2° |
| C2E | C1E | H1E | 109.5° | 109.5° |
| C1E | C2E | H2E | 109.1° | 109.5° |
| C1E | O5E | C5E | 112.0° | 114.1° |
| O5E | C1E | H1E | 110.8° | 109.5° |
| O2E | C2E | C3E | 111.2° | 109.5° |
| O2E | C2E | H2E | 110.5° | 109.5° |
| C2E | O2E | HO2E | 109.5° | 114.0° |
| C2E | C3E | O3E | 110.4° | 109.5° |
| C2E | C3E | C4E | 109.9° | 109.1° |
| C3E | C2E | H2E | 109.0° | 109.6° |
| C2E | C3E | H3E | 108.4° | 109.5° |
| O3E | C3E | C4E | 110.0° | 109.6° |
| O3E | C3E | H3E | 109.7° | 109.6° |
| C3E | O3E | HO3E | 109.5° | 114.0° |
| C3E | C4E | C5E | 110.1° | 109.2° |
| C3E | C4E | O4E | 109.7° | 109.5° |
| C4E | C3E | H3E | 108.4° | 109.6° |
| C3E | C4E | H4E | 109.5° | 109.5° |
| C5E | C4E | O4E | 107.3° | 109.5° |
| C4E | C5E | O5E | 110.4° | 109.4° |
| C4E | C5E | C6E | 112.0° | 109.5° |
| C5E | C4E | H4E | 109.4° | 109.5° |
| C4E | C5E | H5E | 108.1° | 109.5° |
| O4E | C4E | H4E | 110.9° | 109.5° |
| C4E | O4E | HO4E | 109.5° | 114.0° |
| O5E | C5E | C6E | 109.2° | 109.5° |
| O5E | C5E | H5E | 109.3° | 109.5° |
| C5E | C6E | O6E | 112.4° | 109.5° |
| C6E | C5E | H5E | 107.9° | 109.5° |
| C5E | C6E | H6E | 108.8° | 109.4° |
| C5E | C6E | H6EA | 108.7° | 109.4° |
| O6E | C6E | H6E | 108.8° | 109.5° |
| O6E | C6E | H6EA | 108.8° | 109.5° |
| C6E | O6E | HO6E | 109.5° | 114.0° |
| H6D | C6D | H6DA | 109.5° | 109.5° |
| H6E | C6E | H6EA | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1D | C1D | O5D | C2D | 120.0° | 119.9° |
| O1D | C1D | O5D | H1D | 120.8° | 120.0° |
| O1D | C1D | C2D | H1D | 122.1° | 120.0° |
| O1D | C1D | C2D | O2D | 62.3° | 62.5° |
| O1D | C1D | C2D | C3D | 176.1° | 177.6° |
| O1D | C1D | O5D | C5D | 172.0° | 178.9° |
| O1D | C1D | C2D | H2D | 58.1° | 57.6° |
| O5D | C1D | C2D | H1D | 120.1° | 120.1° |
| O5D | C1D | C2D | O2D | 179.8° | 177.5° |
| O5D | C1D | C2D | C3D | 58.2° | 57.6° |
| C1D | O5D | C5D | C4D | 68.2° | 61.2° |
| C1D | O5D | C5D | C6D | 167.3° | 178.9° |
| O5D | C1D | O1D | HO1D | 180.0° | 60.1° |
| O5D | C1D | C2D | H2D | 59.8° | 62.4° |
| C1D | O5D | C5D | H5D | 48.4° | 58.9° |
| C1D | C2D | O2D | C3D | 122.0° | 119.7° |
| C1D | C2D | O2D | H2D | 119.6° | 120.1° |
| C1D | C2D | C3D | H2D | 118.0° | 120.0° |
| C2D | C1D | O5D | C5D | 68.0° | 61.2° |
| C1D | C2D | C3D | C4D | 52.0° | 57.0° |
| C1D | C2D | C3D | O3D | 177.0° | 176.8° |
| C2D | C1D | O1D | HO1D | 61.8° | 180.0° |
| C1D | C2D | O2D | HO2D | 180.0° | 60.0° |
| C1D | C2D | C3D | H3D | 65.1° | 62.8° |
| O2D | C2D | C3D | H2D | 119.2° | 120.1° |
| O2D | C2D | C3D | C4D | 174.8° | 176.9° |
| O2D | C2D | C3D | O3D | 60.1° | 63.3° |
| O2D | C2D | C1D | H1D | 59.8° | 57.5° |
| O2D | C2D | C3D | H3D | 57.7° | 57.0° |
| C2D | C3D | C4D | C5D | 52.7° | 57.0° |
| C2D | C3D | C4D | O3D | 121.3° | 119.9° |
| C2D | C3D | C4D | H3D | 117.1° | 119.8° |
| C2D | C3D | C4D | O4D | 173.6° | 176.8° |
| C2D | C3D | O3D | H3D | 117.2° | 120.2° |
| C2D | C3D | O3D | C1E | 148.7° | 90.0° |
| C3D | C2D | C1D | H1D | 61.8° | 62.4° |
| C3D | C2D | O2D | HO2D | 58.0° | 179.7° |
| C2D | C3D | C4D | H4D | 65.0° | 62.9° |
| O5D | C5D | C4D | C6D | 122.9° | 119.9° |
| O5D | C5D | C4D | H5D | 117.9° | 120.1° |
| O5D | C5D | C6D | H5D | 119.9° | 120.0° |
| O5D | C5D | C6D | O6D | 66.5° | 65.0° |
| O5D | C5D | C4D | C3D | 60.1° | 57.7° |
| O5D | C5D | C4D | O4D | 175.5° | 177.5° |
| C5D | O5D | C1D | H1D | 51.2° | 58.8° |
| O5D | C5D | C6D | H6D | 53.6° | 175.0° |
| O5D | C5D | C6D | H6DA | 173.5° | 55.0° |
| O5D | C5D | C4D | H4D | 57.6° | 62.3° |
| C4D | C5D | C6D | H5D | 119.0° | 120.0° |
| C4D | C5D | C6D | O6D | 54.6° | 175.1° |
| C5D | C4D | C3D | O4D | 121.0° | 119.9° |
| C5D | C4D | C3D | H4D | 117.6° | 119.9° |
| C5D | C4D | O4D | H4D | 116.9° | 120.2° |
| C5D | C4D | C3D | O3D | 174.0° | 176.9° |
| C4D | C5D | C6D | H6D | 174.6° | 55.1° |
| C4D | C5D | C6D | H6DA | 65.5° | 64.9° |
| C5D | C4D | O4D | HO4D | 180.0° | 60.1° |
| C5D | C4D | C3D | H3D | 64.4° | 62.9° |
| C5D | C6D | O6D | H6D | 120.0° | 120.0° |
| C5D | C6D | O6D | H6DA | 120.0° | 120.0° |
| C6D | C5D | C4D | C3D | 176.9° | 177.6° |
| C6D | C5D | C4D | O4D | 52.6° | 62.6° |
| C5D | C6D | H6D | H6DA | 119.8° | 120.0° |
| C5D | C6D | O6D | HO6D | 180.0° | 180.0° |
| C6D | C5D | C4D | H4D | 65.3° | 57.7° |
| O6D | C6D | C5D | H5D | 173.6° | 55.0° |
| O6D | C6D | H6D | H6DA | 119.8° | 120.0° |
| C3D | C4D | O4D | H4D | 120.6° | 120.2° |
| C4D | C3D | O3D | H3D | 121.0° | 120.2° |
| C4D | C3D | O3D | C1E | 89.5° | 150.5° |
| C4D | C3D | C2D | H2D | 66.0° | 63.0° |
| C3D | C4D | C5D | H5D | 57.8° | 62.4° |
| C3D | C4D | O4D | HO4D | 57.6° | 179.7° |
| O4D | C4D | C3D | O3D | 65.0° | 63.3° |
| O4D | C4D | C5D | H5D | 66.5° | 57.5° |
| O4D | C4D | C3D | H3D | 56.6° | 57.0° |
| C3D | O3D | C1E | C2E | 152.1° | 175.0° |
| C3D | O3D | C1E | O5E | 90.5° | 65.1° |
| O3D | C3D | C2D | H2D | 59.1° | 56.9° |
| O3D | C3D | C4D | H4D | 56.4° | 57.0° |
| C3D | O3D | C1E | H1E | 31.5° | 54.9° |
| O3D | C1E | C2E | O5E | 117.6° | 120.0° |
| O3D | C1E | C2E | H1E | 121.6° | 120.0° |
| O3D | C1E | O5E | H1E | 122.3° | 120.0° |
| O3D | C1E | C2E | O2E | 56.9° | 62.5° |
| O3D | C1E | C2E | C3E | 177.8° | 177.6° |
| O3D | C1E | O5E | C5E | 175.6° | 178.8° |
| C1E | O3D | C3D | H3D | 31.5° | 30.3° |
| O3D | C1E | C2E | H2E | 65.0° | 57.6° |
| C2E | C1E | O5E | H1E | 120.1° | 120.0° |
| C1E | C2E | O2E | C3E | 117.7° | 119.7° |
| C1E | C2E | O2E | H2E | 121.2° | 120.1° |
| C1E | C2E | C3E | H2E | 117.3° | 119.9° |
| C1E | C2E | C3E | O3E | 178.6° | 176.9° |
| C1E | C2E | C3E | C4E | 59.8° | 57.0° |
| C2E | C1E | O5E | C5E | 66.7° | 61.2° |
| C1E | C2E | O2E | HO2E | 180.0° | 60.0° |
| C1E | C2E | C3E | H3E | 58.4° | 63.0° |
| O5E | C1E | C2E | O2E | 174.5° | 177.5° |
| O5E | C1E | C2E | C3E | 64.6° | 57.6° |
| C1E | O5E | C5E | C4E | 60.1° | 61.2° |
| C1E | O5E | C5E | C6E | 176.5° | 178.9° |
| O5E | C1E | C2E | H2E | 52.5° | 62.3° |
| C1E | O5E | C5E | H5E | 58.7° | 58.8° |
| O2E | C2E | C3E | H2E | 122.0° | 120.2° |
| O2E | C2E | C3E | O3E | 57.9° | 63.3° |
| O2E | C2E | C3E | C4E | 179.4° | 176.8° |
| O2E | C2E | C1E | H1E | 64.6° | 57.5° |
| O2E | C2E | C3E | H3E | 62.3° | 56.9° |
| C2E | C3E | O3E | C4E | 121.5° | 119.6° |
| C2E | C3E | O3E | H3E | 119.4° | 120.1° |
| C2E | C3E | C4E | H3E | 118.3° | 119.9° |
| C2E | C3E | C4E | C5E | 54.7° | 57.0° |
| C2E | C3E | C4E | O4E | 172.5° | 176.9° |
| C3E | C2E | C1E | H1E | 56.2° | 62.4° |
| C3E | C2E | O2E | HO2E | 62.3° | 179.7° |
| C2E | C3E | O3E | HO3E | 180.0° | 60.0° |
| C2E | C3E | C4E | H4E | 65.6° | 62.9° |
| O3E | C3E | C4E | H3E | 120.0° | 120.2° |
| O3E | C3E | C4E | C5E | 176.5° | 176.9° |
| O3E | C3E | C4E | O4E | 65.7° | 63.2° |
| O3E | C3E | C2E | H2E | 64.1° | 56.9° |
| O3E | C3E | C4E | H4E | 56.2° | 56.9° |
| C3E | C4E | C5E | O4E | 119.3° | 119.9° |
| C3E | C4E | C5E | H4E | 120.3° | 119.9° |
| C3E | C4E | O4E | H4E | 121.0° | 120.2° |
| C3E | C4E | C5E | O5E | 53.1° | 57.6° |
| C3E | C4E | C5E | C6E | 175.0° | 177.6° |
| C4E | C3E | C2E | H2E | 57.4° | 63.0° |
| C4E | C3E | O3E | HO3E | 58.5° | 179.6° |
| C3E | C4E | O4E | HO4E | 180.0° | 60.0° |
| C3E | C4E | C5E | H5E | 66.3° | 62.4° |
| C5E | C4E | O4E | H4E | 119.4° | 120.1° |
| C4E | C5E | O5E | C6E | 123.4° | 120.0° |
| C4E | C5E | O5E | H5E | 118.7° | 120.0° |
| C4E | C5E | C6E | H5E | 118.9° | 120.0° |
| C4E | C5E | C6E | O6E | 63.2° | 175.0° |
| C5E | C4E | C3E | H3E | 63.5° | 62.9° |
| C5E | C4E | O4E | HO4E | 60.5° | 179.7° |
| C4E | C5E | C6E | H6E | 176.3° | 55.0° |
| C4E | C5E | C6E | H6EA | 57.2° | 65.0° |
| O4E | C4E | C5E | O5E | 172.5° | 177.5° |
| O4E | C4E | C5E | C6E | 65.7° | 62.5° |
| O4E | C4E | C3E | H3E | 54.3° | 57.0° |
| O4E | C4E | C5E | H5E | 53.0° | 57.5° |
| O5E | C5E | C6E | H5E | 118.7° | 120.0° |
| O5E | C5E | C6E | O6E | 59.3° | 65.1° |
| C5E | O5E | C1E | H1E | 53.3° | 58.8° |
| O5E | C5E | C4E | H4E | 67.2° | 62.3° |
| O5E | C5E | C6E | H6E | 61.2° | 174.9° |
| O5E | C5E | C6E | H6EA | 179.7° | 54.9° |
| C5E | C6E | O6E | H6E | 120.5° | 120.0° |
| C5E | C6E | O6E | H6EA | 120.4° | 120.0° |
| C6E | C5E | C4E | H4E | 54.6° | 57.6° |
| C5E | C6E | H6E | H6EA | 118.7° | 120.0° |
| C5E | C6E | O6E | HO6E | 180.0° | 180.0° |
| O6E | C6E | C5E | H5E | 177.9° | 55.0° |
| O6E | C6E | H6E | H6EA | 118.7° | 120.0° |
| HO1D | O1D | C1D | H1D | 59.4° | 60.0° |
| H1D | C1D | C2D | H2D | 179.8° | 177.6° |
| H2D | C2D | O2D | HO2D | 60.4° | 60.1° |
| H2D | C2D | C3D | H3D | 176.9° | 177.2° |
| H5D | C5D | C6D | H6D | 66.4° | 64.9° |
| H5D | C5D | C6D | H6DA | 53.5° | 175.0° |
| H5D | C5D | C4D | H4D | 175.5° | 177.7° |
| H6D | C6D | O6D | HO6D | 59.9° | 60.0° |
| H6DA | C6D | O6D | HO6D | 60.0° | 60.0° |
| H4D | C4D | O4D | HO4D | 63.1° | 60.1° |
| H4D | C4D | C3D | H3D | 178.0° | 177.3° |
| H1E | C1E | C2E | H2E | 173.4° | 177.7° |
| H2E | C2E | O2E | HO2E | 58.8° | 60.1° |
| H2E | C2E | C3E | H3E | 175.7° | 177.1° |
| H3E | C3E | O3E | HO3E | 60.7° | 60.1° |
| H3E | C3E | C4E | H4E | 176.2° | 177.2° |
| H4E | C4E | O4E | HO4E | 59.0° | 60.2° |
| H4E | C4E | C5E | H5E | 173.4° | 177.7° |
| H5E | C5E | C6E | H6E | 57.5° | 65.1° |
| H5E | C5E | C6E | H6EA | 61.6° | 174.9° |
| H6E | C6E | O6E | HO6E | 59.5° | 60.1° |
| H6EA | C6E | O6E | HO6E | 59.6° | 60.0° |
