Obsolete: QPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2D | C2D | sing | 1.43Å | 1.41Å | |
| O1D | C1D | sing | 1.43Å | 1.42Å | |
| C2D | C1D | sing | 1.53Å | 1.53Å | |
| C2D | C3D | sing | 1.53Å | 1.53Å | |
| O3D | C3D | sing | 1.43Å | 1.42Å | |
| C1D | O5D | sing | 1.43Å | 1.44Å | |
| C3D | C4D | sing | 1.53Å | 1.57Å | |
| O5D | C5D | sing | 1.43Å | 1.47Å | |
| C4D | C5D | sing | 1.53Å | 1.59Å | |
| C4D | O4D | sing | 1.43Å | 1.45Å | |
| C5D | C6D | sing | 1.53Å | 1.55Å | |
| O4D | C1C | sing | 1.43Å | 1.44Å | |
| O6C | C6C | sing | 1.43Å | 1.42Å | |
| O2C | C2C | sing | 1.43Å | 1.41Å | |
| C5C | C6C | sing | 1.53Å | 1.56Å | |
| C5C | O5C | sing | 1.43Å | 1.45Å | |
| C5C | C4C | sing | 1.53Å | 1.55Å | |
| C1C | O5C | sing | 1.43Å | 1.46Å | |
| C1C | C2C | sing | 1.53Å | 1.57Å | |
| C6D | O6D | sing | 1.43Å | 1.39Å | |
| C3C | C2C | sing | 1.53Å | 1.58Å | |
| C3C | C4C | sing | 1.53Å | 1.54Å | |
| C3C | O3C | sing | 1.43Å | 1.42Å | |
| C4C | O4C | sing | 1.43Å | 1.45Å | |
| O4C | C1B | sing | 1.43Å | 1.47Å | |
| C1B | O5B | sing | 1.43Å | 1.43Å | |
| C1B | C2B | sing | 1.53Å | 1.55Å | |
| O5B | C5B | sing | 1.43Å | 1.45Å | |
| C6B | C5B | sing | 1.53Å | 1.53Å | |
| C5B | C4B | sing | 1.53Å | 1.55Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.53Å | 1.53Å | |
| C3B | C4B | sing | 1.53Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C4B | N4B | sing | 1.47Å | 1.46Å | |
| N4B | C1A | sing | 1.47Å | 1.47Å | |
| O2A | C2A | sing | 1.43Å | 1.42Å | |
| C1A | C2A | sing | 1.53Å | 1.52Å | |
| C1A | C7A | sing | 1.50Å | 1.53Å | |
| C2A | C3A | sing | 1.53Å | 1.53Å | |
| C3A | O3A | sing | 1.43Å | 1.42Å | |
| C3A | C4A | sing | 1.53Å | 1.55Å | |
| C7A | C5A | doub | 1.29Å | 1.40Å | |
| O4A | C4A | sing | 1.43Å | 1.42Å | |
| C4A | C5A | sing | 1.50Å | 1.56Å | |
| C5A | C6A | sing | 1.51Å | 1.53Å | |
| C6A | O6A | sing | 1.43Å | 1.43Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C6A | H6A | sing | 1.09Å | 1.10Å | |
| C6A | H6AA | sing | 1.09Å | 1.10Å | |
| C7A | H7A | sing | 1.08Å | 1.08Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| O4A | HO4A | sing | 0.97Å | 0.95Å | |
| O6A | HO6A | sing | 0.97Å | 0.95Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C6B | H6BB | sing | 1.09Å | 1.10Å | |
| C6B | H6B | sing | 1.09Å | 1.10Å | |
| C6B | H6BA | sing | 1.09Å | 1.10Å | |
| N4B | HN4B | sing | 1.01Å | 1.00Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| C3C | H3C | sing | 1.09Å | 1.10Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| C5C | H5C | sing | 1.09Å | 1.10Å | |
| C6C | H6CA | sing | 1.09Å | 1.10Å | |
| C6C | H6C | sing | 1.09Å | 1.10Å | |
| O2C | HO2C | sing | 0.97Å | 0.95Å | |
| O3C | HO3C | sing | 0.97Å | 0.95Å | |
| O6C | HO6C | sing | 0.97Å | 0.95Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C6D | H6D | sing | 1.09Å | 1.10Å | |
| C6D | H6DA | sing | 1.09Å | 1.10Å | |
| O1D | HO1D | sing | 0.97Å | 0.95Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| O3D | HO3D | sing | 0.97Å | 0.95Å | |
| O6D | HO6D | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2D | C2D | C1D | 111.3° | 109.5° |
| O2D | C2D | C3D | 111.1° | 109.6° |
| O2D | C2D | H2D | 109.8° | 109.6° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| O1D | C1D | C2D | 108.2° | 109.5° |
| O1D | C1D | O5D | 115.0° | 109.5° |
| O1D | C1D | H1D | 109.4° | 109.5° |
| C1D | O1D | HO1D | 109.5° | 114.0° |
| C1D | C2D | C3D | 108.0° | 109.2° |
| C2D | C1D | O5D | 106.9° | 109.4° |
| C2D | C1D | H1D | 108.0° | 109.4° |
| C1D | C2D | H2D | 108.3° | 109.5° |
| C2D | C3D | O3D | 110.4° | 109.5° |
| C2D | C3D | C4D | 112.3° | 109.1° |
| C3D | C2D | H2D | 108.2° | 109.5° |
| C2D | C3D | H3D | 108.2° | 109.6° |
| O3D | C3D | C4D | 108.4° | 109.5° |
| O3D | C3D | H3D | 109.7° | 109.6° |
| C3D | O3D | HO3D | 109.5° | 114.0° |
| C1D | O5D | C5D | 115.5° | 114.1° |
| O5D | C1D | H1D | 109.1° | 109.5° |
| C3D | C4D | C5D | 109.6° | 109.1° |
| C3D | C4D | O4D | 103.7° | 109.5° |
| C4D | C3D | H3D | 107.8° | 109.5° |
| C3D | C4D | H4D | 109.7° | 109.5° |
| O5D | C5D | C4D | 111.8° | 109.4° |
| O5D | C5D | C6D | 105.9° | 109.5° |
| O5D | C5D | H5D | 109.8° | 109.5° |
| C5D | C4D | O4D | 112.9° | 109.5° |
| C4D | C5D | C6D | 112.3° | 109.5° |
| C5D | C4D | H4D | 109.4° | 109.5° |
| C4D | C5D | H5D | 108.2° | 109.4° |
| C4D | O4D | C1C | 120.8° | 114.0° |
| O4D | C4D | H4D | 111.4° | 109.6° |
| C5D | C6D | O6D | 111.1° | 109.4° |
| C6D | C5D | H5D | 108.7° | 109.5° |
| C5D | C6D | H6D | 109.1° | 109.5° |
| C5D | C6D | H6DA | 109.1° | 109.4° |
| O4D | C1C | O5C | 110.6° | 109.5° |
| O4D | C1C | C2C | 110.5° | 109.5° |
| O4D | C1C | H1C | 108.2° | 109.5° |
| O6C | C6C | C5C | 114.1° | 109.5° |
| O6C | C6C | H6CA | 108.3° | 109.4° |
| O6C | C6C | H6C | 108.3° | 109.5° |
| C6C | O6C | HO6C | 109.5° | 114.0° |
| O2C | C2C | C1C | 108.0° | 109.5° |
| O2C | C2C | C3C | 108.4° | 109.6° |
| O2C | C2C | H2C | 110.5° | 109.6° |
| C2C | O2C | HO2C | 109.5° | 114.0° |
| C6C | C5C | O5C | 113.6° | 109.4° |
| C6C | C5C | C4C | 115.5° | 109.5° |
| C6C | C5C | H5C | 107.8° | 109.5° |
| C5C | C6C | H6CA | 108.3° | 109.5° |
| C5C | C6C | H6C | 108.3° | 109.5° |
| O5C | C5C | C4C | 102.5° | 109.4° |
| C5C | O5C | C1C | 118.6° | 114.0° |
| O5C | C5C | H5C | 109.2° | 109.5° |
| C5C | C4C | C3C | 104.3° | 109.2° |
| C5C | C4C | O4C | 114.8° | 109.5° |
| C5C | C4C | H4C | 107.2° | 109.6° |
| C4C | C5C | H5C | 107.9° | 109.5° |
| O5C | C1C | C2C | 112.9° | 109.4° |
| O5C | C1C | H1C | 107.9° | 109.4° |
| C1C | C2C | C3C | 113.1° | 109.1° |
| C2C | C1C | H1C | 106.5° | 109.4° |
| C1C | C2C | H2C | 108.4° | 109.5° |
| O6D | C6D | H6D | 109.1° | 109.5° |
| O6D | C6D | H6DA | 109.0° | 109.5° |
| C6D | O6D | HO6D | 109.5° | 114.0° |
| C2C | C3C | C4C | 108.6° | 109.0° |
| C2C | C3C | O3C | 113.6° | 109.5° |
| C3C | C2C | H2C | 108.4° | 109.5° |
| C2C | C3C | H3C | 107.7° | 109.6° |
| C4C | C3C | O3C | 109.1° | 109.5° |
| C3C | C4C | O4C | 114.1° | 109.5° |
| C4C | C3C | H3C | 108.1° | 109.6° |
| C3C | C4C | H4C | 107.3° | 109.5° |
| O3C | C3C | H3C | 109.6° | 109.6° |
| C3C | O3C | HO3C | 109.5° | 114.0° |
| C4C | O4C | C1B | 120.2° | 114.0° |
| O4C | C4C | H4C | 108.6° | 109.5° |
| O4C | C1B | O5B | 106.5° | 109.5° |
| O4C | C1B | C2B | 113.3° | 109.5° |
| O4C | C1B | H1B | 110.2° | 109.5° |
| O5B | C1B | C2B | 106.9° | 109.4° |
| C1B | O5B | C5B | 115.2° | 114.1° |
| O5B | C1B | H1B | 110.7° | 109.4° |
| C1B | C2B | O2B | 116.4° | 109.5° |
| C1B | C2B | C3B | 108.2° | 109.2° |
| C2B | C1B | H1B | 109.1° | 109.5° |
| C1B | C2B | H2B | 106.8° | 109.5° |
| O5B | C5B | C6B | 107.7° | 109.5° |
| O5B | C5B | C4B | 108.5° | 109.4° |
| O5B | C5B | H5B | 108.9° | 109.6° |
| C6B | C5B | C4B | 115.9° | 109.5° |
| C6B | C5B | H5B | 108.0° | 109.5° |
| C5B | C6B | H6BB | 109.5° | 109.6° |
| C5B | C6B | H6B | 109.5° | 109.5° |
| C5B | C6B | H6BA | 109.5° | 109.5° |
| C5B | C4B | C3B | 109.1° | 109.2° |
| C5B | C4B | N4B | 111.2° | 109.5° |
| C5B | C4B | H4B | 108.7° | 109.6° |
| C4B | C5B | H5B | 107.7° | 109.5° |
| O2B | C2B | C3B | 109.5° | 109.5° |
| O2B | C2B | H2B | 108.6° | 109.5° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C2B | C3B | C4B | 107.4° | 109.0° |
| C2B | C3B | O3B | 110.7° | 109.6° |
| C3B | C2B | H2B | 107.0° | 109.6° |
| C2B | C3B | H3B | 108.2° | 109.5° |
| C4B | C3B | O3B | 112.3° | 109.5° |
| C3B | C4B | N4B | 108.8° | 109.5° |
| C4B | C3B | H3B | 108.1° | 109.5° |
| C3B | C4B | H4B | 109.0° | 109.5° |
| O3B | C3B | H3B | 109.9° | 109.6° |
| C3B | O3B | HO3B | 109.5° | 114.0° |
| C4B | N4B | C1A | 122.4° | 111.0° |
| N4B | C4B | H4B | 110.0° | 109.5° |
| C4B | N4B | HN4B | 106.1° | 111.0° |
| N4B | C1A | C2A | 106.5° | 109.4° |
| N4B | C1A | C7A | 114.6° | 109.4° |
| N4B | C1A | H1A | 107.6° | 109.3° |
| C1A | N4B | HN4B | 106.1° | 111.0° |
| O2A | C2A | C1A | 108.5° | 109.7° |
| O2A | C2A | C3A | 107.4° | 109.7° |
| O2A | C2A | H2A | 110.5° | 109.8° |
| C2A | O2A | HO2A | 109.5° | 114.0° |
| C2A | C1A | C7A | 114.0° | 110.2° |
| C1A | C2A | C3A | 112.5° | 108.4° |
| C2A | C1A | H1A | 106.9° | 109.4° |
| C1A | C2A | H2A | 108.9° | 109.6° |
| C1A | C7A | C5A | 120.8° | 124.1° |
| C7A | C1A | H1A | 106.8° | 109.3° |
| C1A | C7A | H7A | 119.6° | 118.0° |
| C2A | C3A | O3A | 109.1° | 109.7° |
| C2A | C3A | C4A | 110.3° | 108.5° |
| C3A | C2A | H2A | 108.9° | 109.6° |
| C2A | C3A | H3A | 108.5° | 109.6° |
| O3A | C3A | C4A | 110.6° | 109.6° |
| O3A | C3A | H3A | 110.0° | 109.6° |
| C3A | O3A | HO3A | 109.5° | 114.0° |
| C3A | C4A | O4A | 107.2° | 109.3° |
| C3A | C4A | C5A | 113.3° | 110.1° |
| C4A | C3A | H3A | 108.3° | 109.8° |
| C3A | C4A | H4A | 108.5° | 109.4° |
| C7A | C5A | C4A | 121.0° | 124.1° |
| C7A | C5A | C6A | 114.1° | 118.0° |
| C5A | C7A | H7A | 119.6° | 117.9° |
| O4A | C4A | C5A | 109.3° | 109.3° |
| O4A | C4A | H4A | 110.1° | 109.2° |
| C4A | O4A | HO4A | 109.5° | 114.0° |
| C4A | C5A | C6A | 121.5° | 118.0° |
| C5A | C4A | H4A | 108.4° | 109.4° |
| C5A | C6A | O6A | 113.7° | 109.5° |
| C5A | C6A | H6A | 108.4° | 109.5° |
| C5A | C6A | H6AA | 108.4° | 109.4° |
| O6A | C6A | H6A | 108.4° | 109.5° |
| O6A | C6A | H6AA | 108.4° | 109.5° |
| C6A | O6A | HO6A | 109.5° | 114.0° |
| H6A | C6A | H6AA | 109.5° | 109.4° |
| H6BB | C6B | H6B | 109.5° | 109.5° |
| H6BB | C6B | H6BA | 109.5° | 109.4° |
| H6B | C6B | H6BA | 109.5° | 109.4° |
| H6CA | C6C | H6C | 109.5° | 109.4° |
| H6D | C6D | H6DA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2D | C2D | C1D | O1D | 48.1° | 62.4° |
| O2D | C2D | C1D | C3D | 122.2° | 120.0° |
| O2D | C2D | C1D | H2D | 120.8° | 120.2° |
| O2D | C2D | C3D | H2D | 120.6° | 120.2° |
| O2D | C2D | C3D | O3D | 56.7° | 63.2° |
| O2D | C2D | C1D | O5D | 172.5° | 177.6° |
| O2D | C2D | C3D | C4D | 177.9° | 176.9° |
| O2D | C2D | C1D | H1D | 70.2° | 57.6° |
| O2D | C2D | C3D | H3D | 63.3° | 57.0° |
| O1D | C1D | C2D | O5D | 124.4° | 120.0° |
| O1D | C1D | C2D | H1D | 118.3° | 120.0° |
| O1D | C1D | C2D | C3D | 170.3° | 177.6° |
| O1D | C1D | O5D | H1D | 123.4° | 120.0° |
| O1D | C1D | O5D | C5D | 174.7° | 178.9° |
| O1D | C1D | C2D | H2D | 72.7° | 57.7° |
| C1D | C2D | C3D | H2D | 117.1° | 119.9° |
| C1D | C2D | C3D | O3D | 179.0° | 176.8° |
| C2D | C1D | O5D | H1D | 116.5° | 120.0° |
| C1D | C2D | C3D | C4D | 59.8° | 57.0° |
| C2D | C1D | O5D | C5D | 65.2° | 61.1° |
| C1D | C2D | C3D | H3D | 59.0° | 62.9° |
| C2D | C1D | O1D | HO1D | 180.0° | 180.0° |
| C1D | C2D | O2D | HO2D | 180.0° | 60.0° |
| C2D | C3D | O3D | C4D | 123.4° | 119.6° |
| C2D | C3D | O3D | H3D | 119.2° | 120.3° |
| C3D | C2D | C1D | O5D | 65.3° | 57.6° |
| C2D | C3D | C4D | H3D | 119.1° | 119.9° |
| C2D | C3D | C4D | C5D | 48.0° | 57.0° |
| C2D | C3D | C4D | O4D | 168.9° | 176.9° |
| C3D | C2D | C1D | H1D | 51.9° | 62.4° |
| C2D | C3D | C4D | H4D | 72.1° | 62.9° |
| C3D | C2D | O2D | HO2D | 59.6° | 179.7° |
| C2D | C3D | O3D | HO3D | 180.0° | 60.0° |
| O3D | C3D | C4D | H3D | 118.6° | 120.2° |
| O3D | C3D | C4D | C5D | 170.3° | 176.8° |
| O3D | C3D | C4D | O4D | 68.9° | 63.3° |
| O3D | C3D | C2D | H2D | 63.9° | 56.9° |
| O3D | C3D | C4D | H4D | 50.2° | 57.0° |
| C1D | O5D | C5D | C4D | 54.5° | 61.1° |
| C1D | O5D | C5D | C6D | 177.2° | 178.9° |
| O5D | C1D | C2D | H2D | 51.7° | 62.3° |
| C1D | O5D | C5D | H5D | 65.6° | 58.8° |
| O5D | C1D | O1D | HO1D | 60.6° | 60.0° |
| C3D | C4D | C5D | O5D | 43.1° | 57.6° |
| C3D | C4D | C5D | O4D | 115.0° | 119.9° |
| C3D | C4D | C5D | H4D | 120.3° | 119.8° |
| C3D | C4D | O4D | H4D | 117.9° | 120.2° |
| C3D | C4D | C5D | C6D | 162.1° | 177.6° |
| C3D | C4D | O4D | C1C | 160.6° | 85.0° |
| C4D | C3D | C2D | H2D | 57.2° | 62.9° |
| C3D | C4D | C5D | H5D | 77.9° | 62.4° |
| C4D | C3D | O3D | HO3D | 56.6° | 179.6° |
| O5D | C5D | C4D | C6D | 118.9° | 120.0° |
| O5D | C5D | C4D | H5D | 121.0° | 120.0° |
| O5D | C5D | C4D | O4D | 158.1° | 177.5° |
| O5D | C5D | C6D | H5D | 117.9° | 120.0° |
| O5D | C5D | C6D | O6D | 44.8° | 64.2° |
| C5D | O5D | C1D | H1D | 51.4° | 58.8° |
| O5D | C5D | C4D | H4D | 77.2° | 62.3° |
| O5D | C5D | C6D | H6D | 165.1° | 175.8° |
| O5D | C5D | C6D | H6DA | 75.4° | 55.8° |
| C5D | C4D | O4D | H4D | 123.6° | 120.1° |
| C4D | C5D | C6D | H5D | 119.7° | 120.0° |
| C5D | C4D | O4D | C1C | 42.1° | 155.3° |
| C4D | C5D | C6D | O6D | 167.1° | 175.8° |
| C5D | C4D | C3D | H3D | 71.1° | 63.0° |
| C4D | C5D | C6D | H6D | 72.6° | 55.8° |
| C4D | C5D | C6D | H6DA | 46.9° | 64.2° |
| O4D | C4D | C5D | C6D | 82.9° | 62.5° |
| C4D | O4D | C1C | O5C | 63.3° | 72.4° |
| C4D | O4D | C1C | C2C | 171.0° | 167.6° |
| C4D | O4D | C1C | H1C | 54.7° | 47.6° |
| O4D | C4D | C3D | H3D | 49.8° | 56.9° |
| O4D | C4D | C5D | H5D | 37.1° | 57.5° |
| C5D | C6D | O6D | H6D | 120.2° | 120.0° |
| C5D | C6D | O6D | H6DA | 120.2° | 120.0° |
| C6D | C5D | C4D | H4D | 41.8° | 57.7° |
| C5D | C6D | H6D | H6DA | 119.3° | 120.0° |
| C5D | C6D | O6D | HO6D | 180.0° | 180.0° |
| O4D | C1C | C2C | O2C | 26.5° | 57.6° |
| O4D | C1C | O5C | C5C | 80.8° | 58.8° |
| O4D | C1C | O5C | C2C | 124.4° | 120.0° |
| O4D | C1C | O5C | H1C | 118.1° | 120.1° |
| O4D | C1C | C2C | H1C | 117.3° | 120.1° |
| O4D | C1C | C2C | C3C | 93.5° | 62.4° |
| O4D | C1C | C2C | H2C | 146.3° | 177.7° |
| C1C | O4D | C4D | H4D | 81.5° | 35.2° |
| O6C | C6C | C5C | H6CA | 120.7° | 120.0° |
| O6C | C6C | C5C | H6C | 120.7° | 120.0° |
| O6C | C6C | C5C | O5C | 60.2° | 64.2° |
| O6C | C6C | C5C | C4C | 178.2° | 175.9° |
| O6C | C6C | C5C | H5C | 61.0° | 55.8° |
| O6C | C6C | H6CA | H6C | 117.9° | 119.9° |
| O2C | C2C | C1C | O5C | 150.9° | 177.6° |
| O2C | C2C | C1C | C3C | 120.0° | 119.9° |
| O2C | C2C | C1C | H2C | 119.8° | 120.2° |
| O2C | C2C | C3C | H2C | 120.0° | 120.2° |
| O2C | C2C | C3C | C4C | 165.1° | 176.9° |
| O2C | C2C | C3C | O3C | 73.3° | 63.3° |
| O2C | C2C | C1C | H1C | 90.8° | 62.5° |
| O2C | C2C | C3C | H3C | 48.3° | 57.0° |
| C6C | C5C | O5C | C4C | 125.3° | 120.0° |
| C6C | C5C | O5C | H5C | 120.4° | 120.0° |
| C6C | C5C | C4C | H5C | 120.7° | 120.1° |
| C6C | C5C | O5C | C1C | 169.5° | 178.9° |
| C6C | C5C | C4C | C3C | 161.1° | 177.6° |
| C6C | C5C | C4C | O4C | 35.5° | 62.5° |
| C6C | C5C | C4C | H4C | 85.2° | 57.6° |
| C5C | C6C | H6CA | H6C | 117.9° | 120.0° |
| C5C | C6C | O6C | HO6C | 180.0° | 180.0° |
| O5C | C5C | C4C | H5C | 115.2° | 120.0° |
| C5C | O5C | C1C | C2C | 43.5° | 61.2° |
| O5C | C5C | C4C | C3C | 74.8° | 57.7° |
| O5C | C5C | C4C | O4C | 159.6° | 177.5° |
| C5C | O5C | C1C | H1C | 161.0° | 178.9° |
| O5C | C5C | C4C | H4C | 38.8° | 62.3° |
| O5C | C5C | C6C | H6CA | 60.5° | 175.8° |
| O5C | C5C | C6C | H6C | 179.1° | 55.8° |
| C4C | C5C | O5C | C1C | 65.2° | 61.2° |
| C5C | C4C | C3C | C2C | 67.7° | 57.1° |
| C5C | C4C | C3C | O4C | 126.1° | 119.9° |
| C5C | C4C | C3C | H4C | 113.6° | 120.0° |
| C5C | C4C | C3C | O3C | 168.0° | 176.9° |
| C5C | C4C | O4C | H4C | 120.0° | 120.2° |
| C5C | C4C | O4C | C1B | 86.3° | 155.3° |
| C5C | C4C | C3C | H3C | 48.9° | 62.8° |
| C4C | C5C | C6C | H6CA | 57.5° | 55.9° |
| C4C | C5C | C6C | H6C | 61.1° | 64.1° |
| O5C | C1C | C2C | H1C | 118.3° | 119.9° |
| O5C | C1C | C2C | C3C | 30.9° | 57.6° |
| O5C | C1C | C2C | H2C | 89.3° | 62.2° |
| C1C | O5C | C5C | H5C | 49.1° | 58.8° |
| C1C | C2C | C3C | H2C | 120.2° | 119.9° |
| C1C | C2C | C3C | C4C | 45.3° | 57.0° |
| C1C | C2C | C3C | O3C | 167.0° | 176.9° |
| C1C | C2C | C3C | H3C | 71.5° | 62.9° |
| C1C | C2C | O2C | HO2C | 180.0° | 60.1° |
| O6D | C6D | C5D | H5D | 73.1° | 55.8° |
| O6D | C6D | H6D | H6DA | 119.3° | 120.1° |
| C2C | C3C | C4C | O3C | 124.3° | 119.8° |
| C2C | C3C | C4C | H3C | 116.5° | 119.9° |
| C2C | C3C | O3C | H3C | 120.5° | 120.2° |
| C2C | C3C | C4C | O4C | 166.3° | 176.9° |
| C3C | C2C | C1C | H1C | 149.2° | 177.6° |
| C2C | C3C | C4C | H4C | 45.9° | 63.0° |
| C3C | C2C | O2C | HO2C | 57.1° | 179.7° |
| C2C | C3C | O3C | HO3C | 180.0° | 60.0° |
| C4C | C3C | O3C | H3C | 118.2° | 120.3° |
| C3C | C4C | O4C | H4C | 119.7° | 120.1° |
| C3C | C4C | O4C | C1B | 153.3° | 85.1° |
| C4C | C3C | C2C | H2C | 74.9° | 62.9° |
| C3C | C4C | C5C | H5C | 40.4° | 62.3° |
| C4C | C3C | O3C | HO3C | 58.6° | 179.5° |
| O3C | C3C | C4C | O4C | 41.9° | 63.2° |
| O3C | C3C | C2C | H2C | 46.8° | 57.0° |
| O3C | C3C | C4C | H4C | 78.4° | 56.9° |
| C4C | O4C | C1B | O5B | 167.3° | 72.5° |
| C4C | O4C | C1B | C2B | 50.0° | 167.6° |
| C4C | O4C | C1B | H1B | 72.6° | 47.5° |
| O4C | C4C | C3C | H3C | 77.2° | 57.0° |
| O4C | C4C | C5C | H5C | 85.2° | 57.6° |
| O4C | C1B | O5B | C2B | 121.4° | 120.0° |
| O4C | C1B | O5B | H1B | 119.8° | 120.1° |
| O4C | C1B | C2B | H1B | 123.2° | 120.1° |
| O4C | C1B | O5B | C5B | 58.8° | 58.8° |
| O4C | C1B | C2B | O2B | 69.3° | 57.5° |
| O4C | C1B | C2B | C3B | 54.5° | 62.4° |
| O4C | C1B | C2B | H2B | 169.3° | 177.7° |
| C1B | O4C | C4C | H4C | 33.7° | 35.1° |
| O5B | C1B | C2B | H1B | 119.8° | 119.9° |
| C1B | O5B | C5B | C6B | 174.1° | 178.8° |
| C1B | O5B | C5B | C4B | 59.7° | 61.2° |
| O5B | C1B | C2B | O2B | 173.7° | 177.5° |
| O5B | C1B | C2B | C3B | 62.6° | 57.6° |
| O5B | C1B | C2B | H2B | 52.3° | 62.3° |
| C1B | O5B | C5B | H5B | 57.3° | 58.8° |
| C2B | C1B | O5B | C5B | 62.6° | 61.2° |
| C1B | C2B | O2B | C3B | 123.0° | 119.7° |
| C1B | C2B | O2B | H2B | 120.5° | 120.2° |
| C1B | C2B | C3B | H2B | 114.8° | 120.0° |
| C1B | C2B | C3B | C4B | 62.9° | 57.0° |
| C1B | C2B | C3B | O3B | 174.1° | 176.9° |
| C1B | C2B | C3B | H3B | 53.6° | 62.9° |
| C1B | C2B | O2B | HO2B | 180.0° | 60.0° |
| O5B | C5B | C6B | C4B | 121.7° | 119.9° |
| O5B | C5B | C6B | H5B | 117.5° | 120.1° |
| O5B | C5B | C4B | H5B | 117.8° | 120.1° |
| O5B | C5B | C4B | C3B | 56.0° | 57.6° |
| O5B | C5B | C4B | N4B | 176.0° | 177.5° |
| C5B | O5B | C1B | H1B | 178.6° | 178.8° |
| O5B | C5B | C4B | H4B | 62.8° | 62.3° |
| O5B | C5B | C6B | H6BB | 180.0° | 65.6° |
| O5B | C5B | C6B | H6B | 60.0° | 54.4° |
| O5B | C5B | C6B | H6BA | 60.0° | 174.4° |
| C6B | C5B | C4B | H5B | 120.9° | 120.0° |
| C6B | C5B | C4B | C3B | 177.2° | 177.6° |
| C6B | C5B | C4B | N4B | 62.8° | 62.5° |
| C6B | C5B | C4B | H4B | 58.5° | 57.6° |
| C5B | C6B | H6BB | H6B | 120.0° | 120.1° |
| C5B | C6B | H6BB | H6BA | 120.0° | 120.0° |
| C5B | C6B | H6B | H6BA | 120.0° | 120.0° |
| C5B | C4B | C3B | C2B | 59.6° | 57.0° |
| C5B | C4B | C3B | N4B | 121.5° | 119.9° |
| C5B | C4B | C3B | H4B | 118.6° | 120.0° |
| C5B | C4B | C3B | O3B | 178.4° | 176.9° |
| C5B | C4B | N4B | H4B | 120.5° | 120.2° |
| C5B | C4B | N4B | C1A | 142.5° | 149.4° |
| C5B | C4B | C3B | H3B | 57.0° | 62.9° |
| C4B | C5B | C6B | H6BB | 58.3° | 54.3° |
| C4B | C5B | C6B | H6B | 61.7° | 174.3° |
| C4B | C5B | C6B | H6BA | 178.3° | 65.7° |
| C5B | C4B | N4B | HN4B | 20.7° | 25.5° |
| O2B | C2B | C3B | H2B | 117.5° | 120.1° |
| O2B | C2B | C3B | C4B | 169.3° | 176.9° |
| O2B | C2B | C3B | O3B | 46.3° | 63.2° |
| O2B | C2B | C1B | H1B | 53.9° | 62.6° |
| O2B | C2B | C3B | H3B | 74.2° | 57.0° |
| C2B | C3B | C4B | O3B | 122.0° | 119.9° |
| C2B | C3B | C4B | H3B | 116.6° | 119.9° |
| C2B | C3B | O3B | H3B | 119.5° | 120.2° |
| C2B | C3B | C4B | N4B | 178.9° | 176.9° |
| C3B | C2B | C1B | H1B | 177.6° | 177.6° |
| C2B | C3B | C4B | H4B | 59.0° | 63.0° |
| C3B | C2B | O2B | HO2B | 56.9° | 179.7° |
| C2B | C3B | O3B | HO3B | 180.0° | 60.0° |
| C4B | C3B | O3B | H3B | 120.4° | 120.2° |
| C3B | C4B | N4B | H4B | 119.3° | 120.1° |
| C3B | C4B | N4B | C1A | 97.3° | 90.9° |
| C4B | C3B | C2B | H2B | 51.8° | 63.0° |
| C3B | C4B | C5B | H5B | 61.8° | 62.4° |
| C3B | C4B | N4B | HN4B | 140.9° | 145.2° |
| C4B | C3B | O3B | HO3B | 59.9° | 179.5° |
| O3B | C3B | C4B | N4B | 56.9° | 63.2° |
| O3B | C3B | C2B | H2B | 71.2° | 56.9° |
| O3B | C3B | C4B | H4B | 63.0° | 56.9° |
| C4B | N4B | C1A | HN4B | 121.8° | 123.9° |
| C4B | N4B | C1A | C2A | 92.3° | 157.9° |
| C4B | N4B | C1A | C7A | 34.7° | 81.4° |
| C4B | N4B | C1A | H1A | 153.4° | 38.2° |
| N4B | C4B | C3B | H3B | 64.5° | 57.0° |
| N4B | C4B | C5B | H5B | 58.2° | 57.5° |
| N4B | C1A | C2A | O2A | 38.3° | 50.0° |
| N4B | C1A | C2A | C7A | 127.4° | 120.2° |
| N4B | C1A | C2A | H1A | 114.8° | 119.6° |
| N4B | C1A | C7A | H1A | 119.1° | 119.6° |
| N4B | C1A | C2A | C3A | 80.5° | 169.7° |
| N4B | C1A | C7A | C5A | 98.8° | 137.3° |
| N4B | C1A | C2A | H2A | 158.6° | 70.7° |
| N4B | C1A | C7A | H7A | 81.3° | 42.6° |
| C1A | N4B | C4B | H4B | 21.9° | 29.3° |
| O2A | C2A | C1A | C3A | 118.8° | 119.7° |
| O2A | C2A | C1A | H2A | 120.4° | 120.7° |
| O2A | C2A | C1A | C7A | 165.6° | 70.3° |
| O2A | C2A | C3A | H2A | 119.7° | 120.6° |
| O2A | C2A | C3A | O3A | 60.3° | 171.9° |
| O2A | C2A | C3A | C4A | 178.0° | 52.2° |
| O2A | C2A | C1A | H1A | 76.5° | 169.6° |
| O2A | C2A | C3A | H3A | 59.5° | 67.7° |
| C2A | C1A | C7A | H1A | 117.9° | 120.2° |
| C1A | C2A | C3A | H2A | 120.9° | 119.7° |
| C1A | C2A | C3A | O3A | 179.7° | 52.3° |
| C1A | C2A | C3A | C4A | 58.7° | 67.4° |
| C2A | C1A | C7A | C5A | 24.3° | 17.1° |
| C1A | C2A | C3A | H3A | 59.9° | 172.7° |
| C2A | C1A | C7A | H7A | 155.7° | 162.8° |
| C1A | C2A | O2A | HO2A | 180.0° | 180.0° |
| C2A | C1A | N4B | HN4B | 29.5° | 78.3° |
| C7A | C1A | C2A | C3A | 46.9° | 49.4° |
| C1A | C7A | C5A | H7A | 180.0° | 179.9° |
| C1A | C7A | C5A | C4A | 13.8° | 0.4° |
| C1A | C7A | C5A | C6A | 145.5° | 179.5° |
| C7A | C1A | C2A | H2A | 74.0° | 169.1° |
| C7A | C1A | N4B | HN4B | 156.5° | 42.5° |
| C2A | C3A | O3A | C4A | 121.5° | 119.0° |
| C2A | C3A | O3A | H3A | 118.9° | 120.4° |
| C2A | C3A | C4A | H3A | 118.6° | 119.8° |
| C2A | C3A | C4A | O4A | 167.2° | 70.7° |
| C2A | C3A | C4A | C5A | 46.5° | 49.4° |
| C3A | C2A | C1A | H1A | 164.7° | 70.7° |
| C2A | C3A | C4A | H4A | 73.9° | 169.7° |
| C3A | C2A | O2A | HO2A | 58.1° | 61.1° |
| C2A | C3A | O3A | HO3A | 180.0° | 179.9° |
| O3A | C3A | C4A | H3A | 120.6° | 120.5° |
| O3A | C3A | C4A | O4A | 72.1° | 169.5° |
| O3A | C3A | C4A | C5A | 167.2° | 70.3° |
| O3A | C3A | C2A | H2A | 59.4° | 67.4° |
| O3A | C3A | C4A | H4A | 46.9° | 49.9° |
| C3A | C4A | C5A | C7A | 25.3° | 17.1° |
| C3A | C4A | O4A | C5A | 123.2° | 120.7° |
| C3A | C4A | O4A | H4A | 117.9° | 119.7° |
| C3A | C4A | C5A | H4A | 120.4° | 120.3° |
| C3A | C4A | C5A | C6A | 132.6° | 162.9° |
| C4A | C3A | C2A | H2A | 62.2° | 172.9° |
| C4A | C3A | O3A | HO3A | 58.5° | 61.1° |
| C3A | C4A | O4A | HO4A | 180.0° | 180.0° |
| C7A | C5A | C4A | O4A | 144.8° | 103.1° |
| C7A | C5A | C4A | C6A | 157.9° | 180.0° |
| C7A | C5A | C6A | O6A | 113.5° | 0.0° |
| C5A | C7A | C1A | H1A | 142.2° | 103.1° |
| C7A | C5A | C4A | H4A | 95.1° | 137.3° |
| C7A | C5A | C6A | H6A | 7.1° | 120.1° |
| C7A | C5A | C6A | H6AA | 125.9° | 120.0° |
| O4A | C4A | C5A | H4A | 120.1° | 119.6° |
| O4A | C4A | C5A | C6A | 13.0° | 77.0° |
| O4A | C4A | C3A | H3A | 48.6° | 49.0° |
| C4A | C5A | C6A | O6A | 87.2° | 180.0° |
| C5A | C4A | C3A | H3A | 72.2° | 169.2° |
| C4A | C5A | C6A | H6A | 152.1° | 60.0° |
| C4A | C5A | C6A | H6AA | 33.4° | 60.0° |
| C4A | C5A | C7A | H7A | 166.2° | 179.5° |
| C5A | C4A | O4A | HO4A | 56.8° | 59.3° |
| C5A | C6A | O6A | H6A | 120.6° | 120.0° |
| C5A | C6A | O6A | H6AA | 120.7° | 120.0° |
| C6A | C5A | C4A | H4A | 107.0° | 42.6° |
| C5A | C6A | H6A | H6AA | 118.1° | 119.9° |
| C6A | C5A | C7A | H7A | 34.5° | 0.5° |
| C5A | C6A | O6A | HO6A | 180.0° | 180.0° |
| O6A | C6A | H6A | H6AA | 118.0° | 120.0° |
| H1A | C1A | C2A | H2A | 43.8° | 48.9° |
| H1A | C1A | C7A | H7A | 37.8° | 77.0° |
| H1A | C1A | N4B | HN4B | 84.9° | 162.1° |
| H2A | C2A | C3A | H3A | 179.2° | 53.0° |
| H2A | C2A | O2A | HO2A | 60.6° | 59.5° |
| H3A | C3A | C4A | H4A | 167.5° | 70.5° |
| H3A | C3A | O3A | HO3A | 61.1° | 59.5° |
| H4A | C4A | O4A | HO4A | 62.2° | 60.3° |
| H6A | C6A | O6A | HO6A | 59.4° | 60.0° |
| H6AA | C6A | O6A | HO6A | 59.3° | 60.0° |
| H1B | C1B | C2B | H2B | 67.5° | 57.6° |
| H2B | C2B | C3B | H3B | 168.3° | 177.2° |
| H2B | C2B | O2B | HO2B | 59.5° | 60.1° |
| H3B | C3B | C4B | H4B | 175.6° | 177.1° |
| H3B | C3B | O3B | HO3B | 60.5° | 60.3° |
| H4B | C4B | C5B | H5B | 179.4° | 177.6° |
| H4B | C4B | N4B | HN4B | 99.8° | 94.6° |
| H5B | C5B | C6B | H6BB | 62.5° | 174.3° |
| H5B | C5B | C6B | H6B | 177.5° | 65.6° |
| H5B | C5B | C6B | H6BA | 57.5° | 54.3° |
| H6BB | C6B | H6B | H6BA | 120.0° | 119.9° |
| H1C | C1C | C2C | H2C | 29.0° | 57.7° |
| H2C | C2C | C3C | H3C | 168.3° | 177.2° |
| H2C | C2C | O2C | HO2C | 61.5° | 60.1° |
| H3C | C3C | C4C | H4C | 162.4° | 177.1° |
| H3C | C3C | O3C | HO3C | 59.5° | 60.2° |
| H4C | C4C | C5C | H5C | 154.1° | 177.7° |
| H5C | C5C | C6C | H6CA | 178.3° | 64.2° |
| H5C | C5C | C6C | H6C | 59.7° | 175.8° |
| H6CA | C6C | O6C | HO6C | 59.3° | 60.0° |
| H6C | C6C | O6C | HO6C | 59.3° | 60.0° |
| H1D | C1D | C2D | H2D | 168.9° | 177.7° |
| H1D | C1D | O1D | HO1D | 62.6° | 60.1° |
| H2D | C2D | C3D | H3D | 176.0° | 177.2° |
| H2D | C2D | O2D | HO2D | 60.1° | 60.1° |
| H3D | C3D | C4D | H4D | 168.8° | 177.2° |
| H3D | C3D | O3D | HO3D | 60.8° | 60.3° |
| H4D | C4D | C5D | H5D | 161.8° | 177.8° |
| H5D | C5D | C6D | H6D | 47.1° | 64.2° |
| H5D | C5D | C6D | H6DA | 166.7° | 175.8° |
| H6D | C6D | O6D | HO6D | 59.8° | 60.0° |
| H6DA | C6D | O6D | HO6D | 59.8° | 60.0° |
