PRD_900061
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2D | C2D | sing | 1.43Å | 1.42Å | |
| O3D | C3D | sing | 1.43Å | 1.42Å | |
| C2D | C3D | sing | 1.53Å | 1.52Å | |
| C2D | C1D | sing | 1.53Å | 1.53Å | |
| O2C | C2C | sing | 1.43Å | 1.42Å | |
| C3D | C4D | sing | 1.53Å | 1.53Å | |
| C1D | O1D | sing | 1.43Å | 1.38Å | |
| C1D | O5D | sing | 1.43Å | 1.43Å | |
| C2C | C1C | sing | 1.53Å | 1.52Å | |
| C2C | C3C | sing | 1.53Å | 1.53Å | |
| C4D | O4D | sing | 1.43Å | 1.44Å | |
| C4D | C5D | sing | 1.53Å | 1.53Å | |
| O3C | C3C | sing | 1.43Å | 1.42Å | |
| O4D | C1C | sing | 1.43Å | 1.40Å | |
| C1C | O5C | sing | 1.43Å | 1.42Å | |
| C3C | C4C | sing | 1.53Å | 1.54Å | |
| O5D | C5D | sing | 1.43Å | 1.44Å | |
| C5D | C6D | sing | 1.53Å | 1.52Å | |
| O6D | C6D | sing | 1.43Å | 1.42Å | |
| O5C | C5C | sing | 1.43Å | 1.44Å | |
| O2B | C2B | sing | 1.43Å | 1.42Å | |
| C4C | C5C | sing | 1.53Å | 1.53Å | |
| C4C | O4C | sing | 1.43Å | 1.44Å | |
| C1B | C2B | sing | 1.53Å | 1.54Å | |
| C1B | O4C | sing | 1.43Å | 1.40Å | |
| C1B | O5B | sing | 1.43Å | 1.43Å | |
| C5C | C6C | sing | 1.53Å | 1.52Å | |
| C2B | C3B | sing | 1.53Å | 1.54Å | |
| O5B | C5B | sing | 1.43Å | 1.45Å | |
| C6C | O6C | sing | 1.43Å | 1.42Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| C3B | C4B | sing | 1.53Å | 1.54Å | |
| C5B | C4B | sing | 1.53Å | 1.54Å | |
| C5B | C6B | sing | 1.53Å | 1.52Å | |
| C4B | N4B | sing | 1.47Å | 1.48Å | |
| N4B | C1A | sing | 1.47Å | 1.48Å | |
| C1A | C7A | sing | 1.53Å | 1.54Å | |
| C1A | C2A | sing | 1.53Å | 1.53Å | |
| O2A | C2A | sing | 1.43Å | 1.42Å | |
| C7A | C5A | sing | 1.53Å | 1.55Å | |
| C2A | C3A | sing | 1.53Å | 1.53Å | |
| C5A | C6A | sing | 1.53Å | 1.53Å | |
| C5A | C4A | sing | 1.53Å | 1.54Å | |
| C3A | O3A | sing | 1.43Å | 1.42Å | |
| C3A | C4A | sing | 1.53Å | 1.53Å | |
| C6A | O6A | sing | 1.43Å | 1.43Å | |
| C4A | O4A | 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 | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C6A | H6A1 | sing | 1.09Å | 1.10Å | |
| C6A | H6A2 | sing | 1.09Å | 1.10Å | |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | HOA3 | sing | 0.97Å | 0.95Å | |
| O4A | HOA4 | sing | 0.97Å | 0.95Å | |
| O6A | HOA6 | 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 | H6B2 | sing | 1.09Å | 1.10Å | |
| C6B | H6B3 | sing | 1.09Å | 1.10Å | |
| C6B | H6B1 | sing | 1.09Å | 1.10Å | |
| N4B | HN4 | sing | 1.01Å | 1.00Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | 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 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6C | H6C2 | sing | 1.09Å | 1.10Å | |
| O2C | HOC2 | sing | 0.97Å | 0.95Å | |
| O3C | HOC3 | sing | 0.97Å | 0.95Å | |
| O6C | HOC6 | 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 | H6D1 | sing | 1.09Å | 1.10Å | |
| C6D | H6D2 | sing | 1.09Å | 1.10Å | |
| O1D | HOD1 | sing | 0.97Å | 0.95Å | |
| O2D | HOD2 | sing | 0.97Å | 0.95Å | |
| O3D | HOD3 | sing | 0.97Å | 0.95Å | |
| O6D | HOD6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2D | C2D | C3D | 109.7° | 109.5° |
| O2D | C2D | C1D | 110.1° | 109.5° |
| O2D | C2D | H2D | 110.3° | 109.6° |
| C2D | O2D | HOD2 | 109.5° | 114.0° |
| O3D | C3D | C2D | 109.8° | 109.6° |
| O3D | C3D | C4D | 110.0° | 109.5° |
| O3D | C3D | H3D | 110.0° | 109.6° |
| C3D | O3D | HOD3 | 109.5° | 114.0° |
| C3D | C2D | C1D | 108.9° | 109.2° |
| C2D | C3D | C4D | 110.0° | 109.0° |
| C3D | C2D | H2D | 108.9° | 109.5° |
| C2D | C3D | H3D | 108.6° | 109.5° |
| C2D | C1D | O1D | 109.3° | 109.5° |
| C2D | C1D | O5D | 110.1° | 109.4° |
| C2D | C1D | H1D | 108.7° | 109.5° |
| C1D | C2D | H2D | 108.8° | 109.6° |
| O2C | C2C | C1C | 109.3° | 109.5° |
| O2C | C2C | C3C | 109.0° | 109.5° |
| O2C | C2C | H2C | 110.4° | 109.6° |
| C2C | O2C | HOC2 | 109.5° | 114.0° |
| C3D | C4D | O4D | 109.0° | 109.5° |
| C3D | C4D | C5D | 110.7° | 109.2° |
| C4D | C3D | H3D | 108.5° | 109.5° |
| C3D | C4D | H4D | 109.0° | 109.6° |
| O1D | C1D | O5D | 107.9° | 109.4° |
| O1D | C1D | H1D | 110.8° | 109.5° |
| C1D | O1D | HOD1 | 109.5° | 114.0° |
| C1D | O5D | C5D | 112.3° | 114.1° |
| O5D | C1D | H1D | 110.0° | 109.5° |
| C1C | C2C | C3C | 110.3° | 109.1° |
| C2C | C1C | O4D | 107.9° | 109.5° |
| C2C | C1C | O5C | 109.5° | 109.4° |
| C2C | C1C | H1C | 108.2° | 109.5° |
| C1C | C2C | H2C | 109.0° | 109.5° |
| C2C | C3C | O3C | 107.8° | 109.5° |
| C2C | C3C | C4C | 111.2° | 109.1° |
| C3C | C2C | H2C | 108.8° | 109.5° |
| C2C | C3C | H3C | 108.8° | 109.6° |
| O4D | C4D | C5D | 108.8° | 109.5° |
| C4D | O4D | C1C | 117.6° | 114.0° |
| O4D | C4D | H4D | 110.3° | 109.5° |
| C4D | C5D | O5D | 110.1° | 109.4° |
| C4D | C5D | C6D | 112.0° | 109.5° |
| C5D | C4D | H4D | 109.1° | 109.5° |
| C4D | C5D | H5D | 108.8° | 109.5° |
| O3C | C3C | C4C | 110.1° | 109.5° |
| O3C | C3C | H3C | 110.3° | 109.6° |
| C3C | O3C | HOC3 | 109.5° | 114.0° |
| O4D | C1C | O5C | 111.9° | 109.5° |
| O4D | C1C | H1C | 109.8° | 109.5° |
| C1C | O5C | C5C | 113.7° | 114.1° |
| O5C | C1C | H1C | 109.5° | 109.5° |
| C3C | C4C | C5C | 111.0° | 109.2° |
| C3C | C4C | O4C | 110.8° | 109.5° |
| C4C | C3C | H3C | 108.6° | 109.5° |
| C3C | C4C | H4C | 109.0° | 109.5° |
| O5D | C5D | C6D | 107.2° | 109.5° |
| O5D | C5D | H5D | 109.9° | 109.5° |
| C5D | C6D | O6D | 111.2° | 109.5° |
| C6D | C5D | H5D | 108.9° | 109.4° |
| C5D | C6D | H6D1 | 109.0° | 109.5° |
| C5D | C6D | H6D2 | 109.1° | 109.5° |
| O6D | C6D | H6D1 | 109.0° | 109.5° |
| O6D | C6D | H6D2 | 109.0° | 109.4° |
| C6D | O6D | HOD6 | 109.5° | 114.0° |
| O5C | C5C | C4C | 111.1° | 109.4° |
| O5C | C5C | C6C | 107.8° | 109.4° |
| O5C | C5C | H5C | 109.0° | 109.5° |
| O2B | C2B | C1B | 108.9° | 109.5° |
| O2B | C2B | C3B | 109.5° | 109.5° |
| O2B | C2B | H2B | 110.6° | 109.5° |
| C2B | O2B | HOB2 | 109.5° | 114.1° |
| C5C | C4C | O4C | 106.5° | 109.5° |
| C4C | C5C | C6C | 112.9° | 109.5° |
| C5C | C4C | H4C | 109.2° | 109.5° |
| C4C | C5C | H5C | 107.9° | 109.5° |
| C4C | O4C | C1B | 123.3° | 114.0° |
| O4C | C4C | H4C | 110.3° | 109.6° |
| C2B | C1B | O4C | 105.7° | 109.5° |
| C2B | C1B | O5B | 110.0° | 109.4° |
| C1B | C2B | C3B | 109.8° | 109.2° |
| C2B | C1B | H1B | 109.1° | 109.5° |
| C1B | C2B | H2B | 109.1° | 109.5° |
| O4C | C1B | O5B | 110.3° | 109.5° |
| O4C | C1B | H1B | 111.0° | 109.5° |
| C1B | O5B | C5B | 115.7° | 114.1° |
| O5B | C1B | H1B | 110.6° | 109.5° |
| C5C | C6C | O6C | 111.2° | 109.5° |
| C6C | C5C | H5C | 108.0° | 109.5° |
| C5C | C6C | H6C1 | 109.0° | 109.4° |
| C5C | C6C | H6C2 | 109.0° | 109.5° |
| C2B | C3B | O3B | 110.4° | 109.6° |
| C2B | C3B | C4B | 108.5° | 109.0° |
| C3B | C2B | H2B | 109.0° | 109.6° |
| C2B | C3B | H3B | 108.5° | 109.5° |
| O5B | C5B | C4B | 109.8° | 109.4° |
| O5B | C5B | C6B | 106.1° | 109.5° |
| O5B | C5B | H5B | 109.6° | 109.5° |
| O6C | C6C | H6C1 | 109.0° | 109.5° |
| O6C | C6C | H6C2 | 109.0° | 109.5° |
| C6C | O6C | HOC6 | 109.5° | 114.0° |
| O3B | C3B | C4B | 110.9° | 109.5° |
| O3B | C3B | H3B | 110.0° | 109.6° |
| C3B | O3B | HOB3 | 109.5° | 114.0° |
| C3B | C4B | C5B | 106.6° | 109.2° |
| C3B | C4B | N4B | 111.2° | 109.5° |
| C4B | C3B | H3B | 108.5° | 109.6° |
| C3B | C4B | H4B | 108.9° | 109.5° |
| C4B | C5B | C6B | 114.2° | 109.5° |
| C5B | C4B | N4B | 111.6° | 109.5° |
| C5B | C4B | H4B | 108.8° | 109.6° |
| C4B | C5B | H5B | 108.3° | 109.5° |
| C6B | C5B | H5B | 108.7° | 109.6° |
| C5B | C6B | H6B2 | 109.5° | 109.5° |
| C5B | C6B | H6B3 | 109.4° | 109.4° |
| C5B | C6B | H6B1 | 109.5° | 109.5° |
| C4B | N4B | C1A | 115.3° | 111.0° |
| N4B | C4B | H4B | 109.6° | 109.6° |
| C4B | N4B | HN4 | 108.0° | 111.1° |
| N4B | C1A | C7A | 112.1° | 109.5° |
| N4B | C1A | C2A | 110.0° | 109.5° |
| N4B | C1A | H1A | 108.4° | 109.5° |
| C1A | N4B | HN4 | 108.0° | 111.0° |
| C7A | C1A | C2A | 110.8° | 109.5° |
| C1A | C7A | C5A | 115.7° | 109.5° |
| C7A | C1A | H1A | 107.7° | 109.4° |
| C1A | C7A | H7A1 | 107.9° | 109.5° |
| C1A | C7A | H7A2 | 107.9° | 109.5° |
| C1A | C2A | O2A | 109.8° | 109.4° |
| C1A | C2A | C3A | 110.1° | 109.5° |
| C2A | C1A | H1A | 107.8° | 109.5° |
| C1A | C2A | H2A | 108.7° | 109.4° |
| O2A | C2A | C3A | 109.1° | 109.5° |
| O2A | C2A | H2A | 110.3° | 109.4° |
| C2A | O2A | HOA2 | 109.5° | 114.0° |
| C7A | C5A | C6A | 110.5° | 109.5° |
| C7A | C5A | C4A | 112.0° | 109.5° |
| C7A | C5A | H5A | 107.8° | 109.4° |
| C5A | C7A | H7A1 | 107.9° | 109.4° |
| C5A | C7A | H7A2 | 107.9° | 109.5° |
| C2A | C3A | O3A | 109.4° | 109.5° |
| C2A | C3A | C4A | 110.4° | 109.5° |
| C3A | C2A | H2A | 108.8° | 109.5° |
| C2A | C3A | H3A | 108.8° | 109.5° |
| C6A | C5A | C4A | 110.4° | 109.5° |
| C5A | C6A | O6A | 111.6° | 109.5° |
| C6A | C5A | H5A | 108.1° | 109.5° |
| C5A | C6A | H6A1 | 108.9° | 109.5° |
| C5A | C6A | H6A2 | 108.9° | 109.5° |
| C5A | C4A | C3A | 111.3° | 109.5° |
| C5A | C4A | O4A | 109.8° | 109.5° |
| C5A | C4A | H4A | 108.3° | 109.5° |
| C4A | C5A | H5A | 108.0° | 109.4° |
| O3A | C3A | C4A | 109.2° | 109.5° |
| O3A | C3A | H3A | 110.3° | 109.5° |
| C3A | O3A | HOA3 | 109.5° | 114.0° |
| C3A | C4A | O4A | 109.2° | 109.5° |
| C4A | C3A | H3A | 108.8° | 109.5° |
| C3A | C4A | H4A | 108.5° | 109.5° |
| O6A | C6A | H6A1 | 108.9° | 109.4° |
| O6A | C6A | H6A2 | 108.9° | 109.5° |
| C6A | O6A | HOA6 | 109.5° | 114.0° |
| O4A | C4A | H4A | 109.8° | 109.4° |
| C4A | O4A | HOA4 | 109.5° | 114.0° |
| H6A1 | C6A | H6A2 | 109.5° | 109.5° |
| H7A1 | C7A | H7A2 | 109.5° | 109.4° |
| H6B2 | C6B | H6B3 | 109.5° | 109.5° |
| H6B2 | C6B | H6B1 | 109.5° | 109.5° |
| H6B3 | C6B | H6B1 | 109.5° | 109.4° |
| H6C1 | C6C | H6C2 | 109.5° | 109.5° |
| H6D1 | C6D | H6D2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2D | C2D | C3D | O3D | 63.3° | 63.2° |
| O2D | C2D | C3D | C1D | 120.6° | 119.9° |
| O2D | C2D | C3D | H2D | 120.8° | 120.1° |
| O2D | C2D | C1D | H2D | 121.0° | 120.2° |
| O2D | C2D | C3D | C4D | 175.5° | 176.9° |
| O2D | C2D | C1D | O1D | 61.2° | 57.5° |
| O2D | C2D | C1D | O5D | 179.5° | 177.5° |
| O2D | C2D | C1D | H1D | 59.8° | 62.5° |
| O2D | C2D | C3D | H3D | 56.9° | 57.0° |
| O3D | C3D | C2D | C4D | 121.2° | 119.9° |
| O3D | C3D | C2D | H3D | 120.3° | 120.3° |
| O3D | C3D | C2D | C1D | 176.1° | 176.8° |
| O3D | C3D | C4D | H3D | 120.3° | 120.2° |
| O3D | C3D | C4D | O4D | 65.7° | 63.2° |
| O3D | C3D | C4D | C5D | 174.7° | 176.9° |
| O3D | C3D | C2D | H2D | 57.5° | 56.9° |
| O3D | C3D | C4D | H4D | 54.7° | 56.9° |
| C3D | C2D | C1D | H2D | 118.6° | 119.9° |
| C2D | C3D | C4D | H3D | 118.6° | 119.9° |
| C3D | C2D | C1D | O1D | 59.2° | 62.4° |
| C3D | C2D | C1D | O5D | 59.2° | 57.6° |
| C2D | C3D | C4D | O4D | 173.2° | 176.9° |
| C2D | C3D | C4D | C5D | 53.6° | 57.0° |
| C3D | C2D | C1D | H1D | 179.8° | 177.6° |
| C2D | C3D | C4D | H4D | 66.4° | 63.0° |
| C3D | C2D | O2D | HOD2 | 180.0° | 179.9° |
| C2D | C3D | O3D | HOD3 | 180.0° | 60.0° |
| C1D | C2D | C3D | C4D | 54.9° | 57.0° |
| C2D | C1D | O1D | O5D | 119.7° | 119.9° |
| C2D | C1D | O1D | H1D | 119.8° | 120.1° |
| C2D | C1D | O5D | H1D | 119.9° | 120.0° |
| C2D | C1D | O5D | C5D | 62.9° | 61.1° |
| C1D | C2D | C3D | H3D | 63.7° | 62.9° |
| C2D | C1D | O1D | HOD1 | 180.0° | 180.0° |
| C1D | C2D | O2D | HOD2 | 60.1° | 60.4° |
| O2C | C2C | C1C | C3C | 119.9° | 119.9° |
| O2C | C2C | C1C | H2C | 120.7° | 120.2° |
| O2C | C2C | C3C | H2C | 120.4° | 120.2° |
| O2C | C2C | C3C | O3C | 67.1° | 63.2° |
| O2C | C2C | C1C | O4D | 56.2° | 57.5° |
| O2C | C2C | C1C | O5C | 178.1° | 177.5° |
| O2C | C2C | C3C | C4C | 172.1° | 176.9° |
| O2C | C2C | C1C | H1C | 62.6° | 62.5° |
| O2C | C2C | C3C | H3C | 52.5° | 57.0° |
| C3D | C4D | O4D | C5D | 120.8° | 119.7° |
| C3D | C4D | O4D | H4D | 119.6° | 120.2° |
| C3D | C4D | C5D | H4D | 119.9° | 120.0° |
| C3D | C4D | O4D | C1C | 127.1° | 85.1° |
| C3D | C4D | C5D | O5D | 55.2° | 57.6° |
| C3D | C4D | C5D | C6D | 174.3° | 177.6° |
| C4D | C3D | C2D | H2D | 63.7° | 63.0° |
| C3D | C4D | C5D | H5D | 65.3° | 62.4° |
| C4D | C3D | O3D | HOD3 | 58.9° | 179.5° |
| O1D | C1D | O5D | H1D | 121.0° | 120.0° |
| O1D | C1D | O5D | C5D | 56.3° | 58.9° |
| O1D | C1D | C2D | H2D | 177.8° | 177.7° |
| C1D | O5D | C5D | C4D | 60.4° | 61.1° |
| C1D | O5D | C5D | C6D | 177.5° | 178.9° |
| O5D | C1D | C2D | H2D | 59.4° | 62.3° |
| C1D | O5D | C5D | H5D | 59.4° | 58.9° |
| O5D | C1D | O1D | HOD1 | 60.2° | 60.0° |
| C1C | C2C | C3C | H2C | 119.5° | 119.9° |
| C2C | C1C | O4D | C4D | 133.9° | 169.8° |
| C1C | C2C | C3C | O3C | 172.8° | 176.9° |
| C2C | C1C | O4D | O5C | 120.4° | 120.0° |
| C2C | C1C | O4D | H1C | 117.7° | 120.0° |
| C2C | C1C | O5C | H1C | 118.5° | 120.0° |
| C1C | C2C | C3C | C4C | 52.1° | 57.0° |
| C2C | C1C | O5C | C5C | 63.2° | 61.2° |
| C1C | C2C | C3C | H3C | 67.5° | 62.9° |
| C1C | C2C | O2C | HOC2 | 180.0° | 60.0° |
| C2C | C3C | O3C | C4C | 121.5° | 119.6° |
| C2C | C3C | O3C | H3C | 118.7° | 120.2° |
| C3C | C2C | C1C | O4D | 63.7° | 62.4° |
| C3C | C2C | C1C | O5C | 58.3° | 57.6° |
| C2C | C3C | C4C | H3C | 119.7° | 119.9° |
| C2C | C3C | C4C | C5C | 48.4° | 57.0° |
| C2C | C3C | C4C | O4C | 166.5° | 176.9° |
| C3C | C2C | C1C | H1C | 177.6° | 177.6° |
| C2C | C3C | C4C | H4C | 71.9° | 62.9° |
| C3C | C2C | O2C | HOC2 | 59.4° | 179.6° |
| C2C | C3C | O3C | HOC3 | 180.0° | 60.0° |
| O4D | C4D | C5D | H4D | 120.4° | 120.1° |
| C4D | O4D | C1C | O5C | 105.7° | 70.2° |
| O4D | C4D | C5D | O5D | 174.9° | 177.5° |
| O4D | C4D | C5D | C6D | 66.0° | 62.5° |
| C4D | O4D | C1C | H1C | 16.1° | 49.8° |
| O4D | C4D | C3D | H3D | 54.6° | 57.0° |
| O4D | C4D | C5D | H5D | 54.4° | 57.5° |
| C5D | C4D | O4D | C1C | 112.1° | 155.2° |
| C4D | C5D | O5D | C6D | 122.0° | 120.0° |
| C4D | C5D | O5D | H5D | 119.8° | 120.0° |
| C4D | C5D | C6D | H5D | 120.3° | 120.1° |
| C4D | C5D | C6D | O6D | 58.9° | 175.2° |
| C5D | C4D | C3D | H3D | 65.0° | 62.9° |
| C4D | C5D | C6D | H6D1 | 179.2° | 55.2° |
| C4D | C5D | C6D | H6D2 | 61.4° | 64.8° |
| O3C | C3C | C4C | H3C | 120.9° | 120.2° |
| O3C | C3C | C4C | C5C | 167.8° | 176.9° |
| O3C | C3C | C4C | O4C | 74.1° | 63.2° |
| O3C | C3C | C2C | H2C | 53.3° | 57.0° |
| O3C | C3C | C4C | H4C | 47.5° | 57.0° |
| O4D | C1C | O5C | H1C | 122.0° | 120.0° |
| O4D | C1C | O5C | C5C | 56.3° | 58.8° |
| O4D | C1C | C2C | H2C | 176.9° | 177.7° |
| C1C | O4D | C4D | H4D | 7.5° | 35.1° |
| C1C | O5C | C5C | C4C | 59.7° | 61.2° |
| C1C | O5C | C5C | C6C | 176.1° | 178.9° |
| O5C | C1C | C2C | H2C | 61.2° | 62.3° |
| C1C | O5C | C5C | H5C | 59.1° | 58.8° |
| C3C | C4C | C5C | O5C | 50.7° | 57.6° |
| C3C | C4C | C5C | O4C | 120.7° | 119.9° |
| C3C | C4C | C5C | H4C | 120.2° | 119.9° |
| C3C | C4C | O4C | H4C | 120.8° | 120.2° |
| C3C | C4C | O4C | C1B | 53.3° | 85.2° |
| C3C | C4C | C5C | C6C | 172.0° | 177.6° |
| C4C | C3C | C2C | H2C | 67.5° | 62.9° |
| C3C | C4C | C5C | H5C | 68.7° | 62.4° |
| C4C | C3C | O3C | HOC3 | 58.5° | 179.6° |
| O5D | C5D | C6D | H5D | 118.8° | 120.0° |
| O5D | C5D | C6D | O6D | 62.0° | 64.8° |
| C5D | O5D | C1D | H1D | 177.3° | 178.9° |
| O5D | C5D | C4D | H4D | 64.8° | 62.4° |
| O5D | C5D | C6D | H6D1 | 58.3° | 175.1° |
| O5D | C5D | C6D | H6D2 | 177.8° | 55.1° |
| C5D | C6D | O6D | H6D1 | 120.3° | 120.1° |
| C5D | C6D | O6D | H6D2 | 120.3° | 120.0° |
| C6D | C5D | C4D | H4D | 54.4° | 57.6° |
| C5D | C6D | H6D1 | H6D2 | 119.2° | 120.0° |
| C5D | C6D | O6D | HOD6 | 180.0° | 180.0° |
| O6D | C6D | C5D | H5D | 179.2° | 55.2° |
| O6D | C6D | H6D1 | H6D2 | 119.2° | 119.9° |
| O5C | C5C | C4C | C6C | 121.2° | 119.9° |
| O5C | C5C | C4C | H5C | 119.5° | 120.1° |
| O5C | C5C | C4C | O4C | 171.4° | 177.5° |
| O5C | C5C | C6C | H5C | 117.7° | 120.1° |
| O5C | C5C | C6C | O6C | 66.4° | 64.9° |
| C5C | O5C | C1C | H1C | 178.3° | 178.8° |
| O5C | C5C | C4C | H4C | 69.5° | 62.3° |
| O5C | C5C | C6C | H6C1 | 173.3° | 175.1° |
| O5C | C5C | C6C | H6C2 | 53.9° | 55.1° |
| O2B | C2B | C1B | C3B | 119.9° | 119.9° |
| O2B | C2B | C1B | H2B | 120.8° | 120.1° |
| O2B | C2B | C1B | O4C | 55.3° | 57.6° |
| O2B | C2B | C1B | O5B | 174.4° | 177.5° |
| O2B | C2B | C3B | H2B | 121.1° | 120.2° |
| O2B | C2B | C3B | O3B | 59.5° | 63.2° |
| O2B | C2B | C3B | C4B | 178.8° | 176.9° |
| O2B | C2B | C1B | H1B | 64.1° | 62.5° |
| O2B | C2B | C3B | H3B | 61.1° | 57.0° |
| C5C | C4C | O4C | H4C | 118.4° | 120.2° |
| C5C | C4C | O4C | C1B | 174.2° | 155.1° |
| C4C | C5C | C6C | H5C | 119.2° | 120.0° |
| C4C | C5C | C6C | O6C | 170.5° | 175.2° |
| C5C | C4C | C3C | H3C | 71.3° | 62.9° |
| C4C | C5C | C6C | H6C1 | 50.2° | 55.2° |
| C4C | C5C | C6C | H6C2 | 69.3° | 64.8° |
| C4C | O4C | C1B | C2B | 144.4° | 169.8° |
| C4C | O4C | C1B | O5B | 96.8° | 70.3° |
| O4C | C4C | C5C | C6C | 67.3° | 62.5° |
| C4C | O4C | C1B | H1B | 26.2° | 49.7° |
| O4C | C4C | C3C | H3C | 46.8° | 57.0° |
| O4C | C4C | C5C | H5C | 52.0° | 57.5° |
| C2B | C1B | O4C | O5B | 118.9° | 119.9° |
| C2B | C1B | O4C | H1B | 118.2° | 120.1° |
| C2B | C1B | O5B | H1B | 120.6° | 120.0° |
| C1B | C2B | C3B | H2B | 119.4° | 120.0° |
| C2B | C1B | O5B | C5B | 56.0° | 61.2° |
| C1B | C2B | C3B | O3B | 179.0° | 176.9° |
| C1B | C2B | C3B | C4B | 59.3° | 57.0° |
| C1B | C2B | C3B | H3B | 58.4° | 62.9° |
| C1B | C2B | O2B | HOB2 | 180.0° | 60.0° |
| O4C | C1B | O5B | H1B | 123.2° | 120.0° |
| O4C | C1B | C2B | C3B | 64.5° | 62.3° |
| O4C | C1B | O5B | C5B | 60.3° | 58.8° |
| O4C | C1B | C2B | H2B | 176.1° | 177.7° |
| C1B | O4C | C4C | H4C | 67.4° | 35.0° |
| O5B | C1B | C2B | C3B | 54.5° | 57.6° |
| C1B | O5B | C5B | C4B | 59.6° | 61.2° |
| C1B | O5B | C5B | C6B | 176.5° | 178.9° |
| O5B | C1B | C2B | H2B | 64.8° | 62.4° |
| C1B | O5B | C5B | H5B | 59.3° | 58.8° |
| C5C | C6C | O6C | H6C1 | 120.3° | 120.0° |
| C5C | C6C | O6C | H6C2 | 120.3° | 120.0° |
| C6C | C5C | C4C | H4C | 51.8° | 57.6° |
| C5C | C6C | H6C1 | H6C2 | 119.2° | 120.0° |
| C5C | C6C | O6C | HOC6 | 180.0° | 179.9° |
| C2B | C3B | O3B | C4B | 120.3° | 119.6° |
| C2B | C3B | O3B | H3B | 119.7° | 120.2° |
| C2B | C3B | C4B | H3B | 117.7° | 119.9° |
| C2B | C3B | C4B | C5B | 61.2° | 57.0° |
| C2B | C3B | C4B | N4B | 177.0° | 176.8° |
| C3B | C2B | C1B | H1B | 176.0° | 177.6° |
| C2B | C3B | C4B | H4B | 56.1° | 63.0° |
| C3B | C2B | O2B | HOB2 | 60.0° | 179.7° |
| C2B | C3B | O3B | HOB3 | 180.0° | 60.0° |
| O5B | C5B | C4B | C3B | 60.0° | 57.6° |
| O5B | C5B | C4B | C6B | 119.0° | 120.0° |
| O5B | C5B | C4B | H5B | 119.7° | 119.9° |
| O5B | C5B | C6B | H5B | 117.8° | 120.1° |
| O5B | C5B | C4B | N4B | 178.5° | 177.5° |
| C5B | O5B | C1B | H1B | 176.5° | 178.8° |
| O5B | C5B | C4B | H4B | 57.4° | 62.4° |
| O5B | C5B | C6B | H6B2 | 180.0° | 65.8° |
| O5B | C5B | C6B | H6B3 | 60.0° | 54.2° |
| O5B | C5B | C6B | H6B1 | 60.0° | 174.1° |
| O6C | C6C | C5C | H5C | 51.2° | 55.2° |
| O6C | C6C | H6C1 | H6C2 | 119.2° | 120.0° |
| O3B | C3B | C4B | H3B | 121.0° | 120.2° |
| O3B | C3B | C4B | C5B | 177.5° | 176.9° |
| O3B | C3B | C4B | N4B | 55.6° | 63.3° |
| O3B | C3B | C2B | H2B | 61.6° | 57.0° |
| O3B | C3B | C4B | H4B | 65.3° | 56.9° |
| C3B | C4B | C5B | N4B | 121.6° | 119.9° |
| C3B | C4B | C5B | H4B | 117.3° | 119.9° |
| C3B | C4B | C5B | C6B | 179.0° | 177.6° |
| C3B | C4B | N4B | H4B | 120.4° | 120.2° |
| C3B | C4B | N4B | C1A | 125.4° | 142.6° |
| C4B | C3B | C2B | H2B | 60.1° | 62.9° |
| C3B | C4B | C5B | H5B | 59.7° | 62.4° |
| C3B | C4B | N4B | HN4 | 113.8° | 93.5° |
| C4B | C3B | O3B | HOB3 | 59.8° | 179.6° |
| C4B | C5B | C6B | H5B | 121.1° | 120.0° |
| C5B | C4B | N4B | H4B | 120.6° | 120.2° |
| C5B | C4B | N4B | C1A | 115.7° | 97.8° |
| C5B | C4B | C3B | H3B | 56.5° | 62.9° |
| C4B | C5B | C6B | H6B2 | 58.9° | 54.1° |
| C4B | C5B | C6B | H6B3 | 61.1° | 174.1° |
| C4B | C5B | C6B | H6B1 | 179.0° | 66.0° |
| C5B | C4B | N4B | HN4 | 5.2° | 26.2° |
| C6B | C5B | C4B | N4B | 59.4° | 62.6° |
| C6B | C5B | C4B | H4B | 61.7° | 57.6° |
| C5B | C6B | H6B2 | H6B3 | 120.0° | 120.0° |
| C5B | C6B | H6B2 | H6B1 | 120.0° | 120.0° |
| C5B | C6B | H6B3 | H6B1 | 120.0° | 119.9° |
| C4B | N4B | C1A | HN4 | 120.8° | 124.0° |
| C4B | N4B | C1A | C7A | 99.6° | 146.6° |
| C4B | N4B | C1A | C2A | 136.7° | 93.3° |
| C4B | N4B | C1A | H1A | 19.1° | 26.7° |
| N4B | C4B | C3B | H3B | 65.4° | 57.0° |
| N4B | C4B | C5B | H5B | 61.9° | 57.5° |
| N4B | C1A | C7A | C2A | 123.2° | 120.0° |
| N4B | C1A | C7A | H1A | 119.1° | 120.0° |
| N4B | C1A | C2A | H1A | 118.0° | 120.0° |
| N4B | C1A | C2A | O2A | 51.6° | 60.0° |
| N4B | C1A | C7A | C5A | 76.1° | 60.0° |
| N4B | C1A | C2A | C3A | 68.6° | 60.0° |
| N4B | C1A | C2A | H2A | 172.3° | 180.0° |
| N4B | C1A | C7A | H7A1 | 163.0° | 180.0° |
| N4B | C1A | C7A | H7A2 | 44.8° | 60.0° |
| C1A | N4B | C4B | H4B | 4.9° | 22.4° |
| C7A | C1A | C2A | H1A | 117.6° | 120.0° |
| C7A | C1A | C2A | O2A | 176.0° | 180.0° |
| C1A | C7A | C5A | H7A1 | 120.9° | 120.0° |
| C1A | C7A | C5A | H7A2 | 120.9° | 120.0° |
| C7A | C1A | C2A | C3A | 55.8° | 60.0° |
| C1A | C7A | C5A | C6A | 167.3° | NaN° |
| C1A | C7A | C5A | C4A | 43.8° | 60.0° |
| C7A | C1A | C2A | H2A | 63.2° | 60.0° |
| C1A | C7A | C5A | H5A | 74.8° | 60.0° |
| C1A | C7A | H7A1 | H7A2 | 117.2° | 120.0° |
| C7A | C1A | N4B | HN4 | 21.3° | 22.7° |
| C1A | C2A | O2A | C3A | 120.8° | 120.0° |
| C1A | C2A | O2A | H2A | 119.8° | 119.9° |
| C2A | C1A | C7A | C5A | 47.1° | 60.0° |
| C1A | C2A | C3A | H2A | 119.1° | 120.0° |
| C1A | C2A | C3A | O3A | 176.4° | 180.0° |
| C1A | C2A | C3A | C4A | 63.4° | 60.0° |
| C1A | C2A | C3A | H3A | 55.9° | 60.0° |
| C2A | C1A | C7A | H7A1 | 73.8° | 60.0° |
| C2A | C1A | C7A | H7A2 | 168.0° | 180.0° |
| C1A | C2A | O2A | HOA2 | 180.0° | 180.0° |
| C2A | C1A | N4B | HN4 | 102.4° | 142.7° |
| O2A | C2A | C3A | H2A | 120.4° | 120.0° |
| O2A | C2A | C3A | O3A | 55.8° | 60.0° |
| O2A | C2A | C3A | C4A | 176.0° | 180.0° |
| O2A | C2A | C1A | H1A | 66.4° | 60.0° |
| O2A | C2A | C3A | H3A | 64.7° | 60.0° |
| C7A | C5A | C6A | C4A | 124.4° | 120.0° |
| C7A | C5A | C6A | H5A | 117.7° | 120.0° |
| C7A | C5A | C4A | H5A | 118.5° | 119.9° |
| C7A | C5A | C4A | C3A | 49.1° | 60.0° |
| C7A | C5A | C6A | O6A | 62.9° | 175.0° |
| C7A | C5A | C4A | O4A | 170.1° | 180.0° |
| C5A | C7A | C1A | H1A | 164.8° | 180.0° |
| C7A | C5A | C4A | H4A | 70.0° | 60.1° |
| C7A | C5A | C6A | H6A1 | 57.4° | 65.1° |
| C7A | C5A | C6A | H6A2 | 176.8° | 55.0° |
| C5A | C7A | H7A1 | H7A2 | 117.1° | 120.0° |
| C2A | C3A | C4A | C5A | 59.9° | 60.0° |
| C2A | C3A | O3A | C4A | 120.9° | 120.0° |
| C2A | C3A | O3A | H3A | 119.6° | 120.0° |
| C2A | C3A | C4A | H3A | 119.3° | 120.0° |
| C2A | C3A | C4A | O4A | 178.8° | 180.0° |
| C3A | C2A | C1A | H1A | 173.4° | 180.0° |
| C2A | C3A | C4A | H4A | 59.2° | 60.0° |
| C3A | C2A | O2A | HOA2 | 59.2° | 60.0° |
| C2A | C3A | O3A | HOA3 | 180.0° | 180.0° |
| C6A | C5A | C4A | H5A | 117.9° | 120.0° |
| C6A | C5A | C4A | C3A | 172.7° | NaN° |
| C5A | C6A | O6A | H6A1 | 120.3° | 120.0° |
| C5A | C6A | O6A | H6A2 | 120.3° | 120.0° |
| C6A | C5A | C4A | O4A | 66.3° | 60.0° |
| C6A | C5A | C4A | H4A | 53.5° | 60.0° |
| C5A | C6A | H6A1 | H6A2 | 119.0° | 120.0° |
| C6A | C5A | C7A | H7A1 | 46.4° | 60.0° |
| C6A | C5A | C7A | H7A2 | 71.7° | 60.0° |
| C5A | C6A | O6A | HOA6 | 180.0° | 180.0° |
| C5A | C4A | C3A | O3A | 179.8° | 180.0° |
| C5A | C4A | C3A | O4A | 121.4° | 120.0° |
| C5A | C4A | C3A | H4A | 119.0° | 120.0° |
| C4A | C5A | C6A | O6A | 61.5° | 65.0° |
| C5A | C4A | O4A | H4A | 118.9° | 120.0° |
| C5A | C4A | C3A | H3A | 59.4° | 60.0° |
| C4A | C5A | C6A | H6A1 | 178.2° | 55.0° |
| C4A | C5A | C6A | H6A2 | 58.8° | 175.0° |
| C4A | C5A | C7A | H7A1 | 77.1° | 60.1° |
| C4A | C5A | C7A | H7A2 | 164.8° | 180.0° |
| C5A | C4A | O4A | HOA4 | 180.0° | 179.9° |
| O3A | C3A | C4A | H3A | 120.4° | 120.0° |
| O3A | C3A | C4A | O4A | 58.4° | 60.0° |
| O3A | C3A | C2A | H2A | 64.5° | 60.0° |
| O3A | C3A | C4A | H4A | 61.2° | 59.9° |
| C3A | C4A | O4A | H4A | 118.8° | 120.0° |
| C4A | C3A | C2A | H2A | 55.6° | 60.0° |
| C3A | C4A | C5A | H5A | 69.4° | 60.0° |
| C4A | C3A | O3A | HOA3 | 59.1° | 60.0° |
| C3A | C4A | O4A | HOA4 | 57.7° | 59.9° |
| O6A | C6A | C5A | H5A | 179.4° | 55.0° |
| O6A | C6A | H6A1 | H6A2 | 119.0° | 120.0° |
| O4A | C4A | C3A | H3A | 61.9° | 60.0° |
| O4A | C4A | C5A | H5A | 51.6° | 60.0° |
| H1A | C1A | C2A | H2A | 54.3° | 59.9° |
| H1A | C1A | C7A | H7A1 | 43.9° | 60.0° |
| H1A | C1A | C7A | H7A2 | 74.3° | 60.0° |
| H1A | C1A | N4B | HN4 | 140.0° | 97.3° |
| H2A | C2A | C3A | H3A | 174.9° | 180.0° |
| H2A | C2A | O2A | HOA2 | 60.2° | 60.1° |
| H3A | C3A | C4A | H4A | 178.5° | 180.0° |
| H3A | C3A | O3A | HOA3 | 60.3° | 60.0° |
| H4A | C4A | C5A | H5A | 171.4° | 180.0° |
| H4A | C4A | O4A | HOA4 | 61.1° | 60.0° |
| H5A | C5A | C6A | H6A1 | 60.3° | 175.0° |
| H5A | C5A | C6A | H6A2 | 59.1° | 65.0° |
| H5A | C5A | C7A | H7A1 | 164.3° | 180.0° |
| H5A | C5A | C7A | H7A2 | 46.1° | 60.1° |
| H6A1 | C6A | O6A | HOA6 | 59.7° | 60.0° |
| H6A2 | C6A | O6A | HOA6 | 59.7° | 60.0° |
| H1B | C1B | C2B | H2B | 56.7° | 57.6° |
| H2B | C2B | C3B | H3B | 177.8° | 177.1° |
| H2B | C2B | O2B | HOB2 | 60.2° | 60.1° |
| H3B | C3B | C4B | H4B | 173.8° | 177.2° |
| H3B | C3B | O3B | HOB3 | 60.3° | 60.2° |
| H4B | C4B | C5B | H5B | 177.0° | 177.7° |
| H4B | C4B | N4B | HN4 | 125.8° | 146.4° |
| H5B | C5B | C6B | H6B2 | 62.2° | 174.2° |
| H5B | C5B | C6B | H6B3 | 177.8° | 65.8° |
| H5B | C5B | C6B | H6B1 | 57.9° | 54.1° |
| H6B2 | C6B | H6B3 | H6B1 | 120.0° | 120.0° |
| H1C | C1C | C2C | H2C | 58.1° | 57.7° |
| H2C | C2C | C3C | H3C | 173.0° | 177.2° |
| H2C | C2C | O2C | HOC2 | 60.1° | 60.2° |
| H3C | C3C | C4C | H4C | 168.4° | 177.2° |
| H3C | C3C | O3C | HOC3 | 61.3° | 60.2° |
| H4C | C4C | C5C | H5C | 171.1° | 177.7° |
| H5C | C5C | C6C | H6C1 | 69.0° | 64.8° |
| H5C | C5C | C6C | H6C2 | 171.5° | 175.2° |
| H6C1 | C6C | O6C | HOC6 | 59.7° | 60.0° |
| H6C2 | C6C | O6C | HOC6 | 59.7° | 60.1° |
| H1D | C1D | C2D | H2D | 61.2° | 57.7° |
| H1D | C1D | O1D | HOD1 | 60.3° | 59.9° |
| H2D | C2D | C3D | H3D | 177.7° | 177.2° |
| H2D | C2D | O2D | HOD2 | 60.1° | 59.8° |
| H3D | C3D | C4D | H4D | 175.0° | 177.2° |
| H3D | C3D | O3D | HOD3 | 60.5° | 60.3° |
| H4D | C4D | C5D | H5D | 174.7° | 177.6° |
| H5D | C5D | C6D | H6D1 | 60.5° | 64.9° |
| H5D | C5D | C6D | H6D2 | 58.9° | 175.1° |
| H6D1 | C6D | O6D | HOD6 | 59.7° | 59.9° |
| H6D2 | C6D | O6D | HOD6 | 59.7° | 60.0° |
