UPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.37Å | 1.49Å | Aromatic |
| N1 | C1' | sing | 1.46Å | 1.50Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.42Å | 1.55Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| PA | O1A | doub | 1.48Å | 1.61Å | |
| PA | O2A | sing | 1.61Å | 1.61Å | |
| PA | O3A | sing | 1.61Å | 1.59Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.58Å | |
| PB | O1B | doub | 1.48Å | 1.60Å | |
| PB | O2B | sing | 1.61Å | 1.61Å | |
| PB | O1D | sing | 1.61Å | 1.59Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.43Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | O3D | sing | 1.43Å | 1.46Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | O18 | doub | 1.21Å | 1.25Å | |
| C19 | O1 | sing | 1.34Å | 1.25Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C1D | O1D | sing | 1.43Å | 1.44Å | |
| C1D | C2D | sing | 1.53Å | 1.56Å | |
| C1D | O5D | sing | 1.43Å | 1.45Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C2D | N2D | sing | 1.47Å | 1.49Å | |
| C2D | C3D | sing | 1.53Å | 1.56Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| N2D | C7D | sing | 1.35Å | 1.33Å | |
| N2D | HND2 | sing | 0.97Å | 1.00Å | |
| C7D | O7D | doub | 1.21Å | 1.23Å | |
| C7D | C8D | sing | 1.51Å | 1.51Å | |
| C8D | OXT | sing | 1.43Å | 23.14Å | |
| C8D | H8D1 | sing | 1.09Å | 1.10Å | |
| C8D | H8D2 | sing | 1.09Å | 1.10Å | |
| C3D | O3D | sing | 1.43Å | 1.46Å | |
| C3D | C4D | sing | 1.53Å | 1.56Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| C4D | O4D | sing | 1.43Å | 1.43Å | |
| C4D | C5D | sing | 1.53Å | 1.56Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | HOD4 | sing | 0.97Å | 0.95Å | |
| C5D | O5D | sing | 1.43Å | 1.46Å | |
| C5D | C6D | sing | 1.53Å | 1.54Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C6D | O6D | sing | 1.43Å | 1.43Å | |
| C6D | H6D1 | sing | 1.09Å | 1.10Å | |
| C6D | H6D2 | sing | 1.09Å | 1.10Å | |
| O6D | HOD6 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 119.1° | 120.6° |
| C2 | N1 | C1' | 120.1° | 119.7° |
| N1 | C2 | N3 | 120.9° | 120.9° |
| N1 | C2 | O2 | 121.9° | 119.5° |
| C6 | N1 | C1' | 120.8° | 119.7° |
| N1 | C6 | C5 | 119.6° | 119.7° |
| N1 | C6 | H6 | 120.2° | 120.1° |
| N1 | C1' | C2' | 113.7° | 110.3° |
| N1 | C1' | O4' | 113.6° | 110.3° |
| N1 | C1' | H1' | 102.0° | 110.4° |
| N3 | C2 | O2 | 117.2° | 119.6° |
| C2 | N3 | C4 | 124.2° | 120.3° |
| C2 | N3 | HN3 | 117.9° | 119.8° |
| C4 | N3 | HN3 | 117.9° | 119.9° |
| N3 | C4 | C5 | 117.3° | 119.4° |
| N3 | C4 | O4 | 120.1° | 120.3° |
| C5 | C4 | O4 | 122.6° | 120.3° |
| C4 | C5 | C6 | 118.9° | 119.1° |
| C4 | C5 | H5 | 120.6° | 120.5° |
| C6 | C5 | H5 | 120.5° | 120.4° |
| C5 | C6 | H6 | 120.2° | 120.2° |
| O1A | PA | O2A | 109.4° | 109.4° |
| O1A | PA | O3A | 109.6° | 109.5° |
| O1A | PA | O5' | 110.8° | 109.5° |
| O2A | PA | O3A | 109.4° | 109.5° |
| O2A | PA | O5' | 108.6° | 109.5° |
| PA | O2A | HOA2 | 109.5° | 106.8° |
| O3A | PA | O5' | 109.1° | 109.5° |
| PA | O3A | PB | 115.3° | 106.8° |
| PA | O5' | C5' | 122.6° | 106.8° |
| O3A | PB | O1B | 109.7° | 109.5° |
| O3A | PB | O2B | 111.4° | 109.5° |
| O3A | PB | O1D | 106.7° | 109.5° |
| O1B | PB | O2B | 108.6° | 109.5° |
| O1B | PB | O1D | 109.8° | 109.5° |
| O2B | PB | O1D | 110.7° | 109.5° |
| PB | O2B | HOB2 | 109.5° | 106.8° |
| PB | O1D | C1D | 125.1° | 106.8° |
| C2' | C1' | O4' | 104.7° | 105.1° |
| C2' | C1' | H1' | 111.4° | 110.3° |
| C1' | C2' | O2' | 112.0° | 111.1° |
| C1' | C2' | C3' | 104.3° | 101.0° |
| C1' | C2' | H2' | 112.3° | 111.2° |
| O4' | C1' | H1' | 111.6° | 110.3° |
| C1' | O4' | C4' | 110.6° | 110.0° |
| O2' | C2' | C3' | 112.5° | 111.1° |
| O2' | C2' | H2' | 104.1° | 111.0° |
| C2' | O2' | HO'2 | 109.5° | 106.8° |
| C3' | C2' | H2' | 111.9° | 111.1° |
| C2' | C3' | O3' | 108.3° | 110.9° |
| C2' | C3' | C4' | 102.1° | 102.3° |
| C2' | C3' | H3' | 115.5° | 110.9° |
| O3' | C3' | C4' | 111.4° | 110.8° |
| O3' | C3' | H3' | 106.8° | 110.9° |
| C3' | O3' | HO'3 | 109.5° | 106.8° |
| C4' | C3' | H3' | 112.6° | 110.8° |
| C3' | C4' | O4' | 106.8° | 107.6° |
| C3' | C4' | C5' | 115.1° | 109.8° |
| C3' | C4' | H4' | 107.6° | 109.9° |
| O4' | C4' | C5' | 109.8° | 109.9° |
| O4' | C4' | H4' | 113.2° | 109.9° |
| C5' | C4' | H4' | 104.5° | 109.8° |
| C4' | C5' | O5' | 112.3° | 109.5° |
| C4' | C5' | H5'1 | 108.5° | 109.4° |
| C4' | C5' | H5'2 | 107.9° | 109.5° |
| O5' | C5' | H5'1 | 108.6° | 109.5° |
| O5' | C5' | H5'2 | 107.9° | 109.5° |
| H5'1 | C5' | H5'2 | 111.7° | 109.5° |
| C19 | C18 | C20 | 113.1° | 109.4° |
| C19 | C18 | O3D | 111.8° | 109.5° |
| C19 | C18 | H18 | 104.6° | 109.5° |
| C18 | C19 | O18 | 119.3° | 120.0° |
| C18 | C19 | O1 | 120.1° | 120.0° |
| C20 | C18 | O3D | 107.2° | 109.5° |
| C20 | C18 | H18 | 109.4° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H202 | 109.5° | 109.4° |
| C18 | C20 | H203 | 109.5° | 109.5° |
| O3D | C18 | H18 | 110.8° | 109.5° |
| C18 | O3D | C3D | 120.6° | 106.8° |
| O18 | C19 | O1 | 120.6° | 120.0° |
| C19 | O1 | HO1 | 109.5° | 120.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| O1D | C1D | C2D | 110.7° | 109.4° |
| O1D | C1D | O5D | 108.9° | 109.4° |
| O1D | C1D | H1D | 109.1° | 109.4° |
| C2D | C1D | O5D | 109.7° | 109.8° |
| C2D | C1D | H1D | 108.3° | 109.4° |
| C1D | C2D | N2D | 110.1° | 109.5° |
| C1D | C2D | C3D | 110.1° | 109.0° |
| C1D | C2D | H2D | 109.4° | 109.6° |
| O5D | C1D | H1D | 110.1° | 109.4° |
| C1D | O5D | C5D | 116.6° | 107.6° |
| N2D | C2D | C3D | 111.6° | 109.5° |
| N2D | C2D | H2D | 107.9° | 109.6° |
| C2D | N2D | C7D | 123.3° | 120.0° |
| C2D | N2D | HND2 | 118.4° | 120.0° |
| C3D | C2D | H2D | 107.8° | 109.6° |
| C2D | C3D | O3D | 111.6° | 109.6° |
| C2D | C3D | C4D | 112.0° | 108.7° |
| C2D | C3D | H3D | 105.1° | 109.7° |
| C7D | N2D | HND2 | 118.4° | 120.0° |
| N2D | C7D | O7D | 124.7° | 120.0° |
| N2D | C7D | C8D | 113.9° | 120.0° |
| O7D | C7D | C8D | 121.4° | 120.0° |
| C7D | C8D | OXT | 29.8° | 109.5° |
| C7D | C8D | H8D1 | 151.9° | 109.5° |
| C7D | C8D | H8D2 | 153.8° | 109.5° |
| OXT | C8D | H8D1 | 152.0° | 109.5° |
| OXT | C8D | H8D2 | 153.8° | 109.4° |
| C8D | OXT | HXT | 90.0° | 106.8° |
| H8D1 | C8D | H8D2 | 45.8° | 109.5° |
| O3D | C3D | C4D | 105.6° | 109.6° |
| O3D | C3D | H3D | 111.6° | 109.7° |
| C4D | C3D | H3D | 111.1° | 109.6° |
| C3D | C4D | O4D | 109.0° | 109.6° |
| C3D | C4D | C5D | 115.2° | 109.0° |
| C3D | C4D | H4D | 105.5° | 109.5° |
| O4D | C4D | C5D | 108.3° | 109.6° |
| O4D | C4D | H4D | 112.8° | 109.6° |
| C4D | O4D | HOD4 | 109.5° | 106.8° |
| C5D | C4D | H4D | 106.2° | 109.6° |
| C4D | C5D | O5D | 112.9° | 109.8° |
| C4D | C5D | C6D | 111.9° | 109.4° |
| C4D | C5D | H5D | 104.7° | 109.5° |
| O5D | C5D | C6D | 107.5° | 109.4° |
| O5D | C5D | H5D | 109.4° | 109.4° |
| C6D | C5D | H5D | 110.4° | 109.4° |
| C5D | C6D | O6D | 112.9° | 109.5° |
| C5D | C6D | H6D1 | 108.4° | 109.5° |
| C5D | C6D | H6D2 | 107.6° | 109.5° |
| O6D | C6D | H6D1 | 108.3° | 109.5° |
| O6D | C6D | H6D2 | 107.6° | 109.5° |
| C6D | O6D | HOD6 | 109.5° | 106.8° |
| H6D1 | C6D | H6D2 | 112.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 178.7° | 179.7° |
| N1 | C2 | N3 | O2 | 178.9° | 179.4° |
| N1 | C2 | N3 | C4 | 0.4° | 0.5° |
| N1 | C2 | N3 | HN3 | 179.6° | 179.7° |
| C2 | N1 | C6 | C5 | 0.5° | 0.3° |
| C2 | N1 | C6 | H6 | 179.5° | 179.8° |
| C2 | N1 | C1' | C2' | 61.1° | 63.2° |
| C2 | N1 | C1' | O4' | 179.2° | 178.9° |
| C2 | N1 | C1' | H1' | 59.0° | 59.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.6° |
| C6 | N1 | C2 | O2 | 179.2° | 180.0° |
| N1 | C6 | C5 | C4 | 1.1° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | H5 | 178.9° | 180.0° |
| C6 | N1 | C1' | C2' | 120.2° | 117.2° |
| C6 | N1 | C1' | O4' | 0.6° | 1.5° |
| C6 | N1 | C1' | H1' | 119.7° | 120.6° |
| C1' | N1 | C2 | N3 | 179.0° | 179.8° |
| C1' | N1 | C2 | O2 | 2.1° | 0.3° |
| C1' | N1 | C6 | C5 | 178.2° | 180.0° |
| C1' | N1 | C6 | H6 | 1.8° | 0.1° |
| N1 | C1' | C2' | O4' | 124.6° | 118.9° |
| N1 | C1' | C2' | H1' | 114.7° | 122.2° |
| N1 | C1' | O4' | H1' | 114.7° | 122.2° |
| N1 | C1' | C2' | O2' | 84.1° | 86.8° |
| N1 | C1' | C2' | C3' | 153.9° | 155.3° |
| N1 | C1' | C2' | H2' | 32.6° | 37.4° |
| N1 | C1' | O4' | C4' | 137.4° | 143.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 0.3° | 0.3° |
| C2 | N3 | C4 | O4 | 180.0° | 179.7° |
| O2 | C2 | N3 | C4 | 179.3° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.7° | 0.3° |
| N3 | C4 | C5 | O4 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 1.0° | 0.1° |
| N3 | C4 | C5 | H5 | 179.0° | 180.0° |
| HN3 | N3 | C4 | C5 | 179.7° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 178.9° | 179.9° |
| O4 | C4 | C5 | C6 | 179.3° | 180.0° |
| O4 | C4 | C5 | H5 | 0.7° | 0.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.1° |
| O1A | PA | O2A | O3A | 120.0° | 120.0° |
| O1A | PA | O2A | O5' | 121.0° | 120.0° |
| O1A | PA | O3A | O5' | 121.5° | 120.0° |
| O1A | PA | O2A | HOA2 | 12.4° | 180.0° |
| O1A | PA | O3A | PB | 77.8° | 45.0° |
| O1A | PA | O5' | C5' | 176.1° | 54.9° |
| O2A | PA | O3A | O5' | 118.7° | 120.0° |
| O2A | PA | O3A | PB | 42.0° | 75.0° |
| O2A | PA | O5' | C5' | 55.9° | 65.0° |
| O3A | PA | O2A | HOA2 | 132.3° | 60.0° |
| PA | O3A | PB | O1B | 76.5° | 40.0° |
| PA | O3A | PB | O2B | 43.8° | 80.0° |
| PA | O3A | PB | O1D | 164.6° | 160.0° |
| O3A | PA | O5' | C5' | 63.2° | 175.0° |
| O5' | PA | O2A | HOA2 | 108.6° | 60.0° |
| O5' | PA | O3A | PB | 160.7° | 165.0° |
| PA | O5' | C5' | C4' | 163.5° | 180.0° |
| PA | O5' | C5' | H5'1 | 43.5° | 60.0° |
| PA | O5' | C5' | H5'2 | 77.7° | 59.9° |
| O3A | PB | O1B | O2B | 122.0° | 120.0° |
| O3A | PB | O1B | O1D | 116.9° | 120.0° |
| O3A | PB | O2B | O1D | 118.5° | 120.0° |
| O3A | PB | O2B | HOB2 | 41.4° | 60.0° |
| O3A | PB | O1D | C1D | 131.4° | 175.0° |
| O1B | PB | O2B | O1D | 120.6° | 120.0° |
| O1B | PB | O2B | HOB2 | 162.3° | 180.0° |
| O1B | PB | O1D | C1D | 109.8° | 55.0° |
| O2B | PB | O1D | C1D | 10.0° | 65.0° |
| O1D | PB | O2B | HOB2 | 77.1° | 60.0° |
| PB | O1D | C1D | C2D | 149.3° | 149.7° |
| PB | O1D | C1D | O5D | 90.0° | 90.0° |
| PB | O1D | C1D | H1D | 30.3° | 29.8° |
| C2' | C1' | O4' | H1' | 120.6° | 118.9° |
| C1' | C2' | O2' | C3' | 117.1° | 111.6° |
| C1' | C2' | O2' | H2' | 121.6° | 124.2° |
| C1' | C2' | C3' | H2' | 121.6° | 118.0° |
| C1' | C2' | O2' | HO'2 | 116.2° | 180.0° |
| C1' | C2' | C3' | O3' | 84.1° | 84.1° |
| C1' | C2' | C3' | C4' | 33.6° | 34.1° |
| C1' | C2' | C3' | H3' | 156.2° | 152.3° |
| C2' | C1' | O4' | C4' | 12.8° | 24.4° |
| O4' | C1' | C2' | O2' | 151.3° | 154.4° |
| O4' | C1' | C2' | C3' | 29.3° | 36.5° |
| O4' | C1' | C2' | H2' | 92.0° | 81.5° |
| C1' | O4' | C4' | C3' | 8.7° | 1.7° |
| C1' | O4' | C4' | C5' | 116.8° | 117.8° |
| C1' | O4' | C4' | H4' | 126.9° | 121.3° |
| H1' | C1' | C2' | O2' | 30.5° | 35.4° |
| H1' | C1' | C2' | C3' | 91.4° | 82.5° |
| H1' | C1' | C2' | H2' | 147.3° | 159.6° |
| H1' | C1' | O4' | C4' | 107.8° | 94.5° |
| O2' | C2' | C3' | H2' | 116.8° | 124.1° |
| O2' | C2' | C3' | O3' | 37.5° | 33.9° |
| O2' | C2' | C3' | C4' | 155.2° | 152.1° |
| O2' | C2' | C3' | H3' | 82.2° | 89.8° |
| C3' | C2' | O2' | HO'2 | 0.8° | 68.4° |
| C2' | C3' | O3' | C4' | 111.5° | 112.9° |
| C2' | C3' | O3' | H3' | 125.1° | 123.6° |
| C2' | C3' | C4' | H3' | 124.5° | 118.2° |
| C2' | C3' | O3' | HO'3 | 142.7° | 61.4° |
| C2' | C3' | C4' | O4' | 26.5° | 21.3° |
| C2' | C3' | C4' | C5' | 95.6° | 140.9° |
| C2' | C3' | C4' | H4' | 148.3° | 98.2° |
| H2' | C2' | O2' | HO'2 | 122.2° | 55.8° |
| H2' | C2' | C3' | O3' | 154.3° | 158.0° |
| H2' | C2' | C3' | C4' | 88.0° | 83.8° |
| H2' | C2' | C3' | H3' | 34.5° | 34.4° |
| O3' | C3' | C4' | H3' | 120.0° | 123.6° |
| O3' | C3' | C4' | O4' | 88.9° | 96.9° |
| O3' | C3' | C4' | C5' | 148.9° | 22.6° |
| O3' | C3' | C4' | H4' | 32.9° | 143.6° |
| C4' | C3' | O3' | HO'3 | 31.1° | 174.2° |
| C3' | C4' | O4' | C5' | 125.5° | 119.5° |
| C3' | C4' | O4' | H4' | 118.2° | 119.5° |
| C3' | C4' | C5' | H4' | 117.8° | 120.9° |
| C3' | C4' | C5' | O5' | 63.4° | 175.4° |
| C3' | C4' | C5' | H5'1 | 176.6° | 64.6° |
| C3' | C4' | C5' | H5'2 | 55.4° | 55.4° |
| H3' | C3' | O3' | HO'3 | 92.2° | 62.2° |
| H3' | C3' | C4' | O4' | 151.1° | 139.5° |
| H3' | C3' | C4' | C5' | 28.9° | 100.9° |
| H3' | C3' | C4' | H4' | 87.1° | 20.0° |
| O4' | C4' | C5' | H4' | 121.7° | 121.0° |
| O4' | C4' | C5' | O5' | 57.2° | 66.4° |
| O4' | C4' | C5' | H5'1 | 62.9° | 53.5° |
| O4' | C4' | C5' | H5'2 | 175.9° | 173.5° |
| C4' | C5' | O5' | H5'1 | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'2 | 118.8° | 120.1° |
| C4' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| H4' | C4' | C5' | O5' | 178.8° | 54.5° |
| H4' | C4' | C5' | H5'1 | 58.8° | 174.5° |
| H4' | C4' | C5' | H5'2 | 62.4° | 65.5° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| C19 | C18 | C20 | O3D | 123.6° | 120.0° |
| C19 | C18 | C20 | H18 | 116.2° | 120.0° |
| C19 | C18 | O3D | H18 | 116.2° | 120.1° |
| C18 | C19 | O18 | O1 | 178.7° | 179.9° |
| C19 | C18 | C20 | H201 | 136.6° | 175.4° |
| C19 | C18 | C20 | H202 | 103.4° | 64.5° |
| C19 | C18 | C20 | H203 | 16.6° | 55.4° |
| C19 | C18 | O3D | C3D | 126.7° | 90.2° |
| C18 | C19 | O1 | HO1 | 178.7° | 179.9° |
| C20 | C18 | O3D | H18 | 119.3° | 120.0° |
| C20 | C18 | C19 | O18 | 68.7° | 115.0° |
| C20 | C18 | C19 | O1 | 112.6° | 65.1° |
| C18 | C20 | H201 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H203 | 120.0° | 120.0° |
| C18 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C18 | O3D | C3D | 108.8° | 149.9° |
| O3D | C18 | C19 | O18 | 170.2° | 4.9° |
| O3D | C18 | C19 | O1 | 8.5° | 175.0° |
| O3D | C18 | C20 | H201 | 13.0° | 55.5° |
| O3D | C18 | C20 | H202 | 133.0° | 175.5° |
| O3D | C18 | C20 | H203 | 107.0° | 64.5° |
| C18 | O3D | C3D | C2D | 84.2° | 151.7° |
| C18 | O3D | C3D | C4D | 153.9° | 89.1° |
| C18 | O3D | C3D | H3D | 33.1° | 31.2° |
| H18 | C18 | C19 | O18 | 50.3° | 125.0° |
| H18 | C18 | C19 | O1 | 128.4° | 54.9° |
| H18 | C18 | C20 | H201 | 107.2° | 64.5° |
| H18 | C18 | C20 | H202 | 12.8° | 55.5° |
| H18 | C18 | C20 | H203 | 132.8° | 175.5° |
| H18 | C18 | O3D | C3D | 10.5° | 29.9° |
| O18 | C19 | O1 | HO1 | 0.0° | 0.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.1° |
| O1D | C1D | C2D | O5D | 120.2° | 120.1° |
| O1D | C1D | C2D | H1D | 119.6° | 119.9° |
| O1D | C1D | O5D | H1D | 119.6° | 119.9° |
| O1D | C1D | C2D | N2D | 62.0° | 61.5° |
| O1D | C1D | C2D | C3D | 61.4° | 178.6° |
| O1D | C1D | C2D | H2D | 179.7° | 58.8° |
| O1D | C1D | O5D | C5D | 60.6° | 172.3° |
| C2D | C1D | O5D | H1D | 119.1° | 120.0° |
| C1D | C2D | N2D | C3D | 122.6° | 119.5° |
| C1D | C2D | N2D | H2D | 119.3° | 120.2° |
| C1D | C2D | C3D | H2D | 119.2° | 119.9° |
| C1D | C2D | N2D | C7D | 115.1° | 85.1° |
| C1D | C2D | N2D | HND2 | 64.9° | 95.0° |
| C1D | C2D | C3D | O3D | 167.9° | 173.4° |
| C1D | C2D | C3D | C4D | 49.8° | 53.7° |
| C1D | C2D | C3D | H3D | 71.0° | 66.1° |
| C2D | C1D | O5D | C5D | 60.7° | 67.6° |
| O5D | C1D | C2D | N2D | 177.8° | 58.6° |
| O5D | C1D | C2D | C3D | 58.8° | 61.3° |
| O5D | C1D | C2D | H2D | 59.4° | 178.9° |
| C1D | O5D | C5D | C4D | 50.1° | 67.6° |
| C1D | O5D | C5D | C6D | 174.1° | 172.3° |
| C1D | O5D | C5D | H5D | 66.0° | 52.5° |
| H1D | C1D | C2D | N2D | 57.5° | 178.6° |
| H1D | C1D | C2D | C3D | 179.0° | 58.8° |
| H1D | C1D | C2D | H2D | 60.8° | 61.1° |
| H1D | C1D | O5D | C5D | 179.8° | 52.4° |
| N2D | C2D | C3D | H2D | 118.2° | 120.3° |
| C2D | N2D | C7D | HND2 | 180.0° | 179.9° |
| C2D | N2D | C7D | O7D | 11.9° | 0.1° |
| C2D | N2D | C7D | C8D | 168.7° | 180.0° |
| N2D | C2D | C3D | O3D | 69.5° | 53.6° |
| N2D | C2D | C3D | C4D | 172.3° | 66.1° |
| N2D | C2D | C3D | H3D | 51.6° | 174.1° |
| C3D | C2D | N2D | C7D | 122.3° | 155.4° |
| C3D | C2D | N2D | HND2 | 57.7° | 24.5° |
| C2D | C3D | O3D | C4D | 121.9° | 119.2° |
| C2D | C3D | O3D | H3D | 117.3° | 120.5° |
| C2D | C3D | C4D | H3D | 117.2° | 119.9° |
| C2D | C3D | C4D | O4D | 162.5° | 66.2° |
| C2D | C3D | C4D | C5D | 40.6° | 53.7° |
| C2D | C3D | C4D | H4D | 76.2° | 173.6° |
| H2D | C2D | N2D | C7D | 4.1° | 35.2° |
| H2D | C2D | N2D | HND2 | 175.9° | 144.7° |
| H2D | C2D | C3D | O3D | 48.7° | 66.7° |
| H2D | C2D | C3D | C4D | 69.5° | 173.6° |
| H2D | C2D | C3D | H3D | 169.8° | 53.8° |
| N2D | C7D | O7D | C8D | 179.4° | 179.9° |
| N2D | C7D | C8D | OXT | 70.1° | 179.9° |
| N2D | C7D | C8D | H8D1 | 49.9° | 60.0° |
| N2D | C7D | C8D | H8D2 | 167.1° | 60.1° |
| HND2 | N2D | C7D | O7D | 168.1° | 180.0° |
| HND2 | N2D | C7D | C8D | 11.3° | 0.1° |
| O7D | C7D | C8D | OXT | 110.4° | 0.1° |
| O7D | C7D | C8D | H8D1 | 129.5° | 119.9° |
| O7D | C7D | C8D | H8D2 | 12.3° | 120.1° |
| C7D | C8D | OXT | H8D1 | 120.0° | 120.0° |
| C7D | C8D | OXT | H8D2 | 122.8° | 120.0° |
| C7D | C8D | H8D1 | H8D2 | 146.8° | 120.0° |
| C7D | C8D | OXT | HXT | 90.0° | 180.0° |
| OXT | C8D | H8D1 | H8D2 | 146.8° | 120.0° |
| H8D1 | C8D | OXT | HXT | 90.0° | 60.0° |
| H8D2 | C8D | OXT | HXT | 90.0° | 59.9° |
| O3D | C3D | C4D | H3D | 121.1° | 120.4° |
| O3D | C3D | C4D | O4D | 75.9° | 53.6° |
| O3D | C3D | C4D | C5D | 162.2° | 173.5° |
| O3D | C3D | C4D | H4D | 45.5° | 66.6° |
| C3D | C4D | O4D | C5D | 126.0° | 119.5° |
| C3D | C4D | O4D | H4D | 116.8° | 120.2° |
| C3D | C4D | C5D | H4D | 116.4° | 119.9° |
| C3D | C4D | O4D | HOD4 | 157.8° | 180.0° |
| C3D | C4D | C5D | O5D | 38.9° | 61.3° |
| C3D | C4D | C5D | C6D | 160.4° | 178.7° |
| C3D | C4D | C5D | H5D | 79.9° | 58.8° |
| H3D | C3D | C4D | O4D | 45.2° | 174.0° |
| H3D | C3D | C4D | C5D | 76.6° | 66.2° |
| H3D | C3D | C4D | H4D | 166.6° | 53.8° |
| O4D | C4D | C5D | H4D | 121.4° | 120.3° |
| O4D | C4D | C5D | O5D | 161.2° | 58.6° |
| O4D | C4D | C5D | C6D | 77.3° | 61.5° |
| O4D | C4D | C5D | H5D | 42.3° | 178.7° |
| C5D | C4D | O4D | HOD4 | 31.8° | 60.5° |
| C4D | C5D | O5D | C6D | 124.0° | 120.1° |
| C4D | C5D | O5D | H5D | 116.2° | 120.1° |
| C4D | C5D | C6D | H5D | 116.2° | 119.9° |
| C4D | C5D | C6D | O6D | 71.6° | 175.0° |
| C4D | C5D | C6D | H6D1 | 168.4° | 55.0° |
| C4D | C5D | C6D | H6D2 | 46.9° | 65.0° |
| H4D | C4D | O4D | HOD4 | 85.4° | 59.9° |
| H4D | C4D | C5D | O5D | 77.4° | 178.9° |
| H4D | C4D | C5D | C6D | 44.1° | 58.8° |
| H4D | C4D | C5D | H5D | 163.7° | 61.1° |
| O5D | C5D | C6D | H5D | 119.2° | 119.8° |
| O5D | C5D | C6D | O6D | 52.9° | 64.7° |
| O5D | C5D | C6D | H6D1 | 67.1° | 175.3° |
| O5D | C5D | C6D | H6D2 | 171.4° | 55.3° |
| C5D | C6D | O6D | H6D1 | 120.0° | 120.0° |
| C5D | C6D | O6D | H6D2 | 118.5° | 120.0° |
| C5D | C6D | H6D1 | H6D2 | 118.6° | 120.0° |
| C5D | C6D | O6D | HOD6 | 19.6° | 180.0° |
| H5D | C5D | C6D | O6D | 172.1° | 55.1° |
| H5D | C5D | C6D | H6D1 | 52.1° | 64.9° |
| H5D | C5D | C6D | H6D2 | 69.3° | 175.1° |
| O6D | C6D | H6D1 | H6D2 | 118.6° | 119.9° |
| H6D1 | C6D | O6D | HOD6 | 100.5° | 59.9° |
| H6D2 | C6D | O6D | HOD6 | 138.1° | 60.0° |
