UPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| O1 | C1 | sing | 1.43Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | PB | sing | 1.61Å | 1.55Å | |
| N2 | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O3 | C3 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2E | O3 | sing | 1.36Å | 1.45Å | |
| C4 | O4 | sing | 1.43Å | 1.38Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.51Å | 1.48Å | |
| C7 | O7 | doub | 1.21Å | 1.20Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| O3A | PA | sing | 1.61Å | 1.49Å | |
| O1A | PA | doub | 1.48Å | 1.46Å | |
| PA | O5D | sing | 1.61Å | 1.53Å | |
| PA | O2A | sing | 1.61Å | 1.45Å | |
| O2B | PB | doub | 1.48Å | 1.45Å | |
| O1B | PB | sing | 1.61Å | 1.40Å | |
| PB | O3A | sing | 1.61Å | 1.54Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C2D | C1D | sing | 1.54Å | 1.50Å | |
| N1U | C1D | sing | 1.47Å | 1.50Å | |
| C1D | O4D | sing | 1.44Å | 1.40Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| O2E | C1E | doub | 1.21Å | 1.23Å | |
| O1E | C1E | sing | 1.35Å | 1.24Å | |
| C1E | C2E | sing | 1.47Å | 1.43Å | |
| O1E | HO1E | sing | 0.97Å | 0.95Å | |
| C6U | N1U | sing | 1.37Å | 1.40Å | |
| N1U | C2U | sing | 1.34Å | 1.41Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2D | C2D | sing | 1.43Å | 1.53Å | |
| C2D | C3D | sing | 1.54Å | 1.57Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| C2E | C3E | doub | 1.33Å | 1.35Å | |
| N3U | C2U | sing | 1.35Å | 1.32Å | |
| C2U | O2U | doub | 1.22Å | 1.22Å | |
| C3D | C4D | sing | 1.54Å | 1.59Å | |
| C3D | O3D | sing | 1.43Å | 1.51Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3D | sing | 0.97Å | 0.95Å | |
| C3E | H3E | sing | 1.08Å | 1.08Å | |
| C3E | H3EA | sing | 1.08Å | 1.08Å | |
| C4U | N3U | sing | 1.35Å | 1.36Å | |
| C5D | C4D | sing | 1.53Å | 1.56Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C5U | C4U | sing | 1.42Å | 1.46Å | |
| O4U | C4U | doub | 1.22Å | 1.21Å | |
| O5D | C5D | sing | 1.43Å | 1.43Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C5D | H5DA | sing | 1.09Å | 1.10Å | |
| C5U | C6U | doub | 1.35Å | 1.38Å | |
| C5U | H5U | sing | 1.08Å | 1.08Å | |
| C6U | H6U | sing | 1.08Å | 1.08Å | |
| N3U | HN3U | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 107.1° | 109.5° |
| C2 | C1 | O5 | 105.3° | 109.4° |
| C2 | C1 | H1 | 113.7° | 109.4° |
| C1 | C2 | N2 | 108.0° | 109.5° |
| C1 | C2 | C3 | 112.5° | 109.2° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| O1 | C1 | O5 | 109.8° | 109.5° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| C1 | O1 | PB | 119.4° | 123.0° |
| O5 | C1 | H1 | 111.2° | 109.5° |
| C1 | O5 | C5 | 122.9° | 114.1° |
| O1 | PB | O2B | 107.9° | 109.5° |
| O1 | PB | O1B | 102.6° | 109.5° |
| O1 | PB | O3A | 108.8° | 109.5° |
| N2 | C2 | C3 | 111.7° | 109.5° |
| N2 | C2 | H2 | 110.0° | 109.6° |
| C2 | N2 | C7 | 126.5° | 120.0° |
| C2 | N2 | HN2 | 116.7° | 120.0° |
| C3 | C2 | H2 | 105.4° | 109.5° |
| C2 | C3 | O3 | 107.3° | 109.6° |
| C2 | C3 | C4 | 112.4° | 109.1° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C7 | N2 | HN2 | 116.7° | 119.9° |
| N2 | C7 | C8 | 116.1° | 120.1° |
| N2 | C7 | O7 | 126.0° | 119.9° |
| O3 | C3 | C4 | 109.1° | 109.5° |
| O3 | C3 | H3 | 112.2° | 109.6° |
| C3 | O3 | C2E | 115.9° | 117.1° |
| C4 | C3 | H3 | 107.1° | 109.5° |
| C3 | C4 | O4 | 106.3° | 109.5° |
| C3 | C4 | C5 | 108.7° | 109.1° |
| C3 | C4 | H4 | 112.1° | 109.6° |
| O3 | C2E | C1E | 108.9° | 120.0° |
| O3 | C2E | C3E | 130.3° | 120.0° |
| O4 | C4 | C5 | 109.6° | 109.5° |
| O4 | C4 | H4 | 111.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C4 | C5 | O5 | 114.5° | 109.4° |
| C4 | C5 | C6 | 110.5° | 109.4° |
| C4 | C5 | H5 | 104.0° | 109.4° |
| O5 | C5 | C6 | 105.5° | 109.5° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | H5 | 113.3° | 109.5° |
| C5 | C6 | O6 | 100.8° | 109.4° |
| C5 | C6 | H6 | 112.5° | 109.5° |
| C5 | C6 | H6A | 112.5° | 109.5° |
| O6 | C6 | H6 | 112.5° | 109.4° |
| O6 | C6 | H6A | 112.5° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H6 | C6 | H6A | 106.3° | 109.5° |
| C8 | C7 | O7 | 117.8° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.4° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| O3A | PA | O1A | 114.6° | 109.4° |
| O3A | PA | O5D | 114.4° | 109.5° |
| O3A | PA | O2A | 98.8° | 109.5° |
| PA | O3A | PB | 128.0° | 134.0° |
| O1A | PA | O5D | 110.4° | 109.5° |
| O1A | PA | O2A | 108.9° | 109.5° |
| O5D | PA | O2A | 108.8° | 109.5° |
| PA | O5D | C5D | 122.9° | 123.0° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O2B | PB | O1B | 112.1° | 109.5° |
| O2B | PB | O3A | 112.9° | 109.5° |
| O1B | PB | O3A | 112.0° | 109.4° |
| PB | O1B | HO1B | 109.5° | 114.1° |
| C2D | C1D | N1U | 117.2° | 110.5° |
| C2D | C1D | O4D | 103.9° | 104.8° |
| C2D | C1D | H1D | 107.4° | 110.4° |
| C1D | C2D | O2D | 117.7° | 110.5° |
| C1D | C2D | C3D | 100.0° | 104.1° |
| C1D | C2D | H2D | 115.3° | 110.5° |
| N1U | C1D | O4D | 107.0° | 110.4° |
| N1U | C1D | H1D | 104.3° | 110.3° |
| C1D | N1U | C6U | 120.2° | 119.7° |
| C1D | N1U | C2U | 120.8° | 119.7° |
| O4D | C1D | H1D | 117.5° | 110.4° |
| C1D | O4D | C4D | 110.1° | 105.3° |
| O2E | C1E | O1E | 128.2° | 120.0° |
| O2E | C1E | C2E | 118.1° | 120.0° |
| O1E | C1E | C2E | 113.7° | 120.0° |
| C1E | O1E | HO1E | 109.5° | 117.0° |
| C1E | C2E | C3E | 120.7° | 120.0° |
| C6U | N1U | C2U | 119.0° | 120.6° |
| N1U | C6U | C5U | 120.3° | 119.7° |
| N1U | C6U | H6U | 119.8° | 120.2° |
| N1U | C2U | N3U | 119.0° | 120.9° |
| N1U | C2U | O2U | 122.9° | 119.6° |
| O2D | C2D | C3D | 120.3° | 110.5° |
| O2D | C2D | H2D | 92.0° | 110.5° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| C3D | C2D | H2D | 112.4° | 110.5° |
| C2D | C3D | C4D | 97.5° | 104.0° |
| C2D | C3D | O3D | 106.2° | 110.5° |
| C2D | C3D | H3D | 122.4° | 110.5° |
| C2E | C3E | H3E | 120.0° | 120.0° |
| C2E | C3E | H3EA | 120.0° | 120.0° |
| N3U | C2U | O2U | 118.0° | 119.5° |
| C2U | N3U | C4U | 126.3° | 120.3° |
| C2U | N3U | HN3U | 116.9° | 119.9° |
| C4D | C3D | O3D | 118.9° | 110.5° |
| C4D | C3D | H3D | 110.5° | 110.5° |
| C3D | C4D | C5D | 117.0° | 110.4° |
| C3D | C4D | O4D | 104.9° | 104.8° |
| C3D | C4D | H4D | 106.3° | 110.4° |
| O3D | C3D | H3D | 102.5° | 110.6° |
| C3D | O3D | HO3D | 109.5° | 114.0° |
| H3E | C3E | H3EA | 120.0° | 120.0° |
| N3U | C4U | C5U | 115.3° | 119.4° |
| N3U | C4U | O4U | 121.1° | 120.3° |
| C4U | N3U | HN3U | 116.8° | 119.9° |
| C5D | C4D | O4D | 104.8° | 110.4° |
| C5D | C4D | H4D | 106.3° | 110.4° |
| C4D | C5D | O5D | 113.2° | 109.5° |
| C4D | C5D | H5D | 108.3° | 109.4° |
| C4D | C5D | H5DA | 108.2° | 109.5° |
| O4D | C4D | H4D | 118.2° | 110.4° |
| C5U | C4U | O4U | 123.5° | 120.3° |
| C4U | C5U | C6U | 120.0° | 119.1° |
| C4U | C5U | H5U | 120.0° | 120.4° |
| O5D | C5D | H5D | 108.2° | 109.5° |
| O5D | C5D | H5DA | 108.2° | 109.5° |
| H5D | C5D | H5DA | 110.7° | 109.4° |
| C6U | C5U | H5U | 120.0° | 120.5° |
| C5U | C6U | H6U | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 113.9° | 119.9° |
| C2 | C1 | O1 | H1 | 123.7° | 120.0° |
| C2 | C1 | O5 | H1 | 123.6° | 119.9° |
| C2 | C1 | O1 | PB | 178.9° | 150.0° |
| C1 | C2 | N2 | C3 | 124.2° | 119.7° |
| C1 | C2 | N2 | H2 | 119.1° | 120.2° |
| C1 | C2 | C3 | H2 | 118.9° | 119.9° |
| C1 | C2 | N2 | C7 | 74.3° | 85.0° |
| C1 | C2 | N2 | HN2 | 105.7° | 95.0° |
| C1 | C2 | C3 | O3 | 178.6° | 176.9° |
| C1 | C2 | C3 | C4 | 58.7° | 57.0° |
| C1 | C2 | C3 | H3 | 59.8° | 62.9° |
| C2 | C1 | O5 | C5 | 51.5° | 61.2° |
| O1 | C1 | O5 | H1 | 121.4° | 120.1° |
| O1 | C1 | C2 | N2 | 61.3° | 57.5° |
| O1 | C1 | C2 | C3 | 62.4° | 62.4° |
| O1 | C1 | C2 | H2 | 179.0° | 177.7° |
| O1 | C1 | O5 | C5 | 63.5° | 58.8° |
| C1 | O1 | PB | O2B | 179.9° | 55.0° |
| C1 | O1 | PB | O1B | 61.6° | 65.1° |
| C1 | O1 | PB | O3A | 57.1° | 175.0° |
| O5 | C1 | O1 | PB | 67.3° | 90.1° |
| O5 | C1 | C2 | N2 | 178.2° | 177.5° |
| O5 | C1 | C2 | C3 | 54.4° | 57.6° |
| O5 | C1 | C2 | H2 | 62.2° | 62.3° |
| C1 | O5 | C5 | C4 | 48.2° | 61.2° |
| C1 | O5 | C5 | C6 | 170.0° | 178.9° |
| C1 | O5 | C5 | H5 | 67.9° | 58.8° |
| H1 | C1 | O1 | PB | 55.1° | 30.0° |
| H1 | C1 | C2 | N2 | 59.8° | 62.5° |
| H1 | C1 | C2 | C3 | 176.4° | 177.6° |
| H1 | C1 | C2 | H2 | 59.8° | 57.7° |
| H1 | C1 | O5 | C5 | 175.1° | 178.9° |
| O1 | PB | O3A | PA | 179.6° | 160.0° |
| O1 | PB | O2B | O1B | 112.3° | 120.0° |
| O1 | PB | O2B | O3A | 120.2° | 120.0° |
| O1 | PB | O1B | O3A | 116.5° | 120.0° |
| O1 | PB | O1B | HO1B | 115.5° | 60.0° |
| N2 | C2 | C3 | H2 | 119.4° | 120.2° |
| C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
| N2 | C2 | C3 | O3 | 59.7° | 63.2° |
| N2 | C2 | C3 | C4 | 179.7° | 176.9° |
| N2 | C2 | C3 | H3 | 61.9° | 57.0° |
| C2 | N2 | C7 | C8 | 179.7° | 180.0° |
| C2 | N2 | C7 | O7 | 0.2° | 0.0° |
| C3 | C2 | N2 | C7 | 161.5° | 155.3° |
| C3 | C2 | N2 | HN2 | 18.5° | 24.7° |
| C2 | C3 | O3 | C4 | 122.1° | 119.6° |
| C2 | C3 | O3 | H3 | 119.4° | 120.2° |
| C2 | C3 | C4 | H3 | 119.4° | 119.9° |
| C2 | C3 | O3 | C2E | 121.7° | 156.0° |
| C2 | C3 | C4 | O4 | 68.6° | 62.9° |
| C2 | C3 | C4 | C5 | 49.3° | 57.0° |
| C2 | C3 | C4 | H4 | 169.7° | 176.9° |
| H2 | C2 | N2 | C7 | 44.8° | 35.2° |
| H2 | C2 | N2 | HN2 | 135.2° | 144.8° |
| H2 | C2 | C3 | O3 | 59.7° | 57.0° |
| H2 | C2 | C3 | C4 | 60.2° | 62.9° |
| H2 | C2 | C3 | H3 | 178.7° | 177.2° |
| N2 | C7 | C8 | O7 | 179.9° | 180.0° |
| N2 | C7 | C8 | H8 | 179.9° | 0.0° |
| N2 | C7 | C8 | H8A | 60.2° | 120.0° |
| N2 | C7 | C8 | H8B | 59.9° | 120.0° |
| HN2 | N2 | C7 | C8 | 0.3° | 0.0° |
| HN2 | N2 | C7 | O7 | 179.8° | 180.0° |
| O3 | C3 | C4 | H3 | 121.6° | 120.2° |
| O3 | C3 | C4 | O4 | 50.4° | 57.0° |
| O3 | C3 | C4 | C5 | 168.2° | 176.9° |
| O3 | C3 | C4 | H4 | 71.3° | 63.2° |
| C3 | O3 | C2E | C1E | 129.9° | 174.5° |
| C3 | O3 | C2E | C3E | 52.1° | 5.5° |
| C4 | C3 | O3 | C2E | 116.2° | 84.4° |
| C3 | C4 | O4 | C5 | 117.2° | 119.7° |
| C3 | C4 | O4 | H4 | 122.2° | 120.2° |
| C3 | C4 | C5 | H4 | 122.4° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 41.9° | 57.6° |
| C3 | C4 | C5 | C6 | 160.9° | 177.6° |
| C3 | C4 | C5 | H5 | 77.2° | 62.4° |
| H3 | C3 | O3 | C2E | 2.3° | 35.7° |
| H3 | C3 | C4 | O4 | 172.0° | 177.2° |
| H3 | C3 | C4 | C5 | 70.1° | 62.9° |
| H3 | C3 | C4 | H4 | 50.3° | 57.0° |
| O3 | C2E | C1E | O2E | 122.5° | 0.0° |
| O3 | C2E | C1E | O1E | 57.4° | 180.0° |
| O3 | C2E | C1E | C3E | 178.2° | 180.0° |
| O3 | C2E | C3E | H3E | 177.8° | 5.7° |
| O3 | C2E | C3E | H3EA | 2.2° | 174.3° |
| O4 | C4 | C5 | H4 | 121.9° | 120.1° |
| O4 | C4 | C5 | O5 | 73.9° | 62.3° |
| O4 | C4 | C5 | C6 | 45.1° | 57.7° |
| O4 | C4 | C5 | H5 | 167.0° | 177.7° |
| C5 | C4 | O4 | HO4 | 62.7° | 60.4° |
| C4 | C5 | O5 | C6 | 121.8° | 120.0° |
| C4 | C5 | O5 | H5 | 116.1° | 120.0° |
| C4 | C5 | C6 | H5 | 116.3° | 120.0° |
| C4 | C5 | C6 | O6 | 156.8° | 175.0° |
| C4 | C5 | C6 | H6 | 36.8° | 55.0° |
| C4 | C5 | C6 | H6A | 83.2° | 65.0° |
| H4 | C4 | O4 | HO4 | 57.8° | 59.8° |
| H4 | C4 | C5 | O5 | 164.2° | 177.6° |
| H4 | C4 | C5 | C6 | 76.8° | 62.4° |
| H4 | C4 | C5 | H5 | 45.1° | 57.6° |
| O5 | C5 | C6 | H5 | 119.4° | 120.1° |
| O5 | C5 | C6 | O6 | 78.9° | 65.1° |
| O5 | C5 | C6 | H6 | 161.1° | 174.9° |
| O5 | C5 | C6 | H6A | 41.1° | 54.9° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 123.5° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 40.5° | 55.0° |
| H5 | C5 | C6 | H6 | 79.5° | 64.9° |
| H5 | C5 | C6 | H6A | 160.5° | 175.0° |
| O6 | C6 | H6 | H6A | 123.5° | 119.9° |
| H6 | C6 | O6 | HO6 | 60.0° | 59.9° |
| H6A | C6 | O6 | HO6 | 60.0° | 60.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| O7 | C7 | C8 | H8 | 0.0° | 180.0° |
| O7 | C7 | C8 | H8A | 120.0° | 60.0° |
| O7 | C7 | C8 | H8B | 120.0° | 60.0° |
| H8 | C8 | H8A | H8B | 120.0° | 119.9° |
| O3A | PA | O1A | O5D | 130.9° | 120.0° |
| O3A | PA | O1A | O2A | 109.6° | 120.0° |
| O3A | PA | O5D | O2A | 109.4° | 120.0° |
| PA | O3A | PB | O2B | 60.7° | 40.0° |
| PA | O3A | PB | O1B | 66.9° | 80.0° |
| O3A | PA | O2A | HO2A | 119.9° | 60.0° |
| O3A | PA | O5D | C5D | 109.3° | 175.0° |
| O1A | PA | O5D | O2A | 119.5° | 120.0° |
| O1A | PA | O3A | PB | 20.4° | 45.0° |
| O1A | PA | O2A | HO2A | 0.0° | 180.0° |
| O1A | PA | O5D | C5D | 119.6° | 55.1° |
| O5D | PA | O3A | PB | 108.6° | 165.0° |
| O5D | PA | O2A | HO2A | 120.5° | 60.0° |
| PA | O5D | C5D | C4D | 153.6° | 180.0° |
| PA | O5D | C5D | H5D | 33.6° | 60.0° |
| PA | O5D | C5D | H5DA | 86.4° | 60.0° |
| O2A | PA | O3A | PB | 136.0° | 75.0° |
| O2A | PA | O5D | C5D | 0.1° | 64.9° |
| O2B | PB | O1B | O3A | 128.0° | 120.0° |
| O2B | PB | O1B | HO1B | 0.0° | 180.0° |
| O3A | PB | O1B | HO1B | 128.0° | 60.0° |
| C2D | C1D | N1U | O4D | 116.1° | 115.5° |
| C2D | C1D | N1U | H1D | 118.6° | 122.3° |
| C2D | C1D | O4D | H1D | 118.5° | 118.9° |
| C2D | C1D | N1U | C6U | 65.5° | 62.2° |
| C2D | C1D | N1U | C2U | 115.0° | 118.1° |
| C1D | C2D | O2D | C3D | 122.3° | 114.6° |
| C1D | C2D | O2D | H2D | 120.2° | 122.7° |
| C1D | C2D | C3D | H2D | 122.9° | 118.7° |
| C1D | C2D | O2D | HO2D | 180.0° | 180.0° |
| C1D | C2D | C3D | C4D | 44.1° | 0.0° |
| C1D | C2D | C3D | O3D | 78.9° | 118.6° |
| C1D | C2D | C3D | H3D | 164.3° | 118.6° |
| C2D | C1D | O4D | C4D | 29.5° | 40.5° |
| N1U | C1D | O4D | H1D | 116.8° | 122.2° |
| C1D | N1U | C6U | C2U | 179.5° | 179.7° |
| N1U | C1D | C2D | O2D | 63.1° | 98.5° |
| N1U | C1D | C2D | C3D | 164.7° | 142.9° |
| N1U | C1D | C2D | H2D | 44.0° | 24.2° |
| C1D | N1U | C2U | N3U | 179.7° | 180.0° |
| C1D | N1U | C2U | O2U | 0.2° | 0.0° |
| N1U | C1D | O4D | C4D | 154.2° | 159.4° |
| C1D | N1U | C6U | C5U | 179.5° | 179.8° |
| C1D | N1U | C6U | H6U | 0.5° | 0.3° |
| O4D | C1D | N1U | C6U | 50.6° | 53.3° |
| O4D | C1D | N1U | C2U | 128.8° | 126.4° |
| O4D | C1D | C2D | O2D | 179.1° | 142.6° |
| O4D | C1D | C2D | C3D | 46.9° | 24.0° |
| O4D | C1D | C2D | H2D | 73.9° | 94.7° |
| C1D | O4D | C4D | C3D | 0.3° | 40.5° |
| C1D | O4D | C4D | C5D | 123.5° | 159.4° |
| C1D | O4D | C4D | H4D | 118.4° | 78.4° |
| H1D | C1D | N1U | C6U | 175.9° | 175.5° |
| H1D | C1D | N1U | C2U | 3.6° | 4.2° |
| H1D | C1D | C2D | O2D | 53.8° | 23.8° |
| H1D | C1D | C2D | C3D | 78.3° | 94.9° |
| H1D | C1D | C2D | H2D | 160.9° | 146.4° |
| H1D | C1D | O4D | C4D | 89.0° | 78.4° |
| O2E | C1E | O1E | C2E | 179.9° | 180.0° |
| O2E | C1E | O1E | HO1E | 0.0° | 0.0° |
| O2E | C1E | C2E | C3E | 59.3° | 180.0° |
| O1E | C1E | C2E | C3E | 120.8° | 0.0° |
| C2E | C1E | O1E | HO1E | 179.9° | 180.0° |
| C1E | C2E | C3E | H3E | 0.0° | 174.3° |
| C1E | C2E | C3E | H3EA | 180.0° | 5.7° |
| C6U | N1U | C2U | N3U | 0.2° | 0.3° |
| C6U | N1U | C2U | O2U | 179.7° | 179.7° |
| N1U | C6U | C5U | C4U | 0.2° | 0.5° |
| N1U | C6U | C5U | H6U | 180.0° | 179.5° |
| N1U | C6U | C5U | H5U | 179.8° | 179.7° |
| N1U | C2U | N3U | O2U | 179.9° | 180.0° |
| N1U | C2U | N3U | C4U | 0.2° | 0.0° |
| C2U | N1U | C6U | C5U | 0.0° | 0.5° |
| C2U | N1U | C6U | H6U | 180.0° | 180.0° |
| N1U | C2U | N3U | HN3U | 179.8° | 180.0° |
| O2D | C2D | C3D | H2D | 106.6° | 122.7° |
| O2D | C2D | C3D | C4D | 174.7° | 118.7° |
| O2D | C2D | C3D | O3D | 51.6° | 0.0° |
| O2D | C2D | C3D | H3D | 65.2° | 122.7° |
| C3D | C2D | O2D | HO2D | 57.7° | 65.3° |
| C2D | C3D | C4D | O3D | 113.2° | 118.7° |
| C2D | C3D | C4D | H3D | 128.8° | 118.6° |
| C2D | C3D | O3D | H3D | 129.5° | 122.7° |
| C2D | C3D | O3D | HO3D | 180.0° | 61.5° |
| C2D | C3D | C4D | C5D | 87.7° | 142.8° |
| C2D | C3D | C4D | O4D | 28.0° | 23.9° |
| C2D | C3D | C4D | H4D | 153.9° | 94.9° |
| H2D | C2D | O2D | HO2D | 59.9° | 57.3° |
| H2D | C2D | C3D | C4D | 78.8° | 118.7° |
| H2D | C2D | C3D | O3D | 158.2° | 122.7° |
| H2D | C2D | C3D | H3D | 41.4° | 0.1° |
| C2E | C3E | H3E | H3EA | 180.0° | 180.0° |
| C2U | N3U | C4U | HN3U | 180.0° | 180.0° |
| C2U | N3U | C4U | C5U | 0.1° | 0.0° |
| C2U | N3U | C4U | O4U | 180.0° | 180.0° |
| O2U | C2U | N3U | C4U | 179.7° | 180.0° |
| O2U | C2U | N3U | HN3U | 0.3° | 0.0° |
| C4D | C3D | O3D | H3D | 122.2° | 122.6° |
| C4D | C3D | O3D | HO3D | 71.6° | 176.1° |
| C3D | C4D | C5D | O4D | 115.7° | 115.4° |
| C3D | C4D | C5D | H4D | 118.5° | 122.3° |
| C3D | C4D | O4D | H4D | 118.1° | 118.8° |
| C3D | C4D | C5D | O5D | 60.8° | 175.0° |
| C3D | C4D | C5D | H5D | 179.2° | 54.9° |
| C3D | C4D | C5D | H5DA | 59.1° | 65.0° |
| O3D | C3D | C4D | C5D | 159.2° | 98.5° |
| O3D | C3D | C4D | O4D | 85.2° | 142.6° |
| O3D | C3D | C4D | H4D | 40.7° | 23.8° |
| H3D | C3D | O3D | HO3D | 50.5° | 61.3° |
| H3D | C3D | C4D | C5D | 41.1° | 24.2° |
| H3D | C3D | C4D | O4D | 156.7° | 94.7° |
| H3D | C3D | C4D | H4D | 77.4° | 146.5° |
| N3U | C4U | C5U | O4U | 180.0° | 179.9° |
| N3U | C4U | C5U | C6U | 0.2° | 0.2° |
| N3U | C4U | C5U | H5U | 179.8° | 180.0° |
| C5D | C4D | O4D | H4D | 118.1° | 122.3° |
| C4D | C5D | O5D | H5D | 120.0° | 120.0° |
| C4D | C5D | O5D | H5DA | 120.0° | 120.0° |
| C4D | C5D | H5D | H5DA | 118.5° | 120.0° |
| O4D | C4D | C5D | O5D | 54.8° | 69.6° |
| O4D | C4D | C5D | H5D | 65.2° | 170.4° |
| O4D | C4D | C5D | H5DA | 174.8° | 50.4° |
| H4D | C4D | C5D | O5D | 179.3° | 52.7° |
| H4D | C4D | C5D | H5D | 60.7° | 67.3° |
| H4D | C4D | C5D | H5DA | 59.3° | 172.7° |
| C4U | C5U | C6U | H5U | 180.0° | 179.8° |
| C4U | C5U | C6U | H6U | 179.8° | 180.0° |
| C5U | C4U | N3U | HN3U | 179.9° | 180.0° |
| O4U | C4U | C5U | C6U | 179.8° | 179.7° |
| O4U | C4U | C5U | H5U | 0.2° | 0.1° |
| O4U | C4U | N3U | HN3U | 0.0° | 0.1° |
| O5D | C5D | H5D | H5DA | 118.5° | 120.0° |
| H5U | C5U | C6U | H6U | 0.2° | 0.2° |
