APU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.50Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3B | sing | 1.61Å | 1.67Å | |
| PA | O5D | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.39Å | |
| O5B | HO5A | sing | 0.97Å | 0.95Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C5B | H51A | sing | 1.09Å | 1.12Å | |
| C5B | H52A | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.41Å | |
| C3B | O3B | sing | 1.43Å | 1.47Å | |
| C3B | C2B | sing | 1.55Å | 1.54Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| C2B | O2B | sing | 1.43Å | 1.46Å | |
| C2B | C1B | sing | 1.54Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.12Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.47Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.39Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.40Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.30Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.40Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.42Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.37Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.34Å | |
| C6A | N1A | doub | 1.33Å | 1.37Å | Aromatic |
| N6A | H61A | sing | 0.97Å | 1.02Å | |
| N6A | H62A | sing | 0.97Å | 1.02Å | |
| N1A | C2A | sing | 1.32Å | 1.30Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.38Å | Aromatic |
| N1U | C2U | sing | 1.35Å | 1.36Å | |
| N1U | C6U | sing | 1.37Å | 1.40Å | |
| N1U | C1D | sing | 1.46Å | 1.49Å | |
| C2U | O2U | doub | 1.22Å | 1.22Å | |
| C2U | N3U | sing | 1.35Å | 1.41Å | |
| N3U | C4U | sing | 1.35Å | 1.39Å | |
| N3U | H3U | sing | 0.97Å | 1.02Å | |
| C4U | O4U | doub | 1.22Å | 1.24Å | |
| C4U | C5U | sing | 1.41Å | 1.45Å | |
| C5U | C6U | doub | 1.35Å | 1.35Å | |
| C5U | H5U | sing | 1.08Å | 1.10Å | |
| C6U | H6U | sing | 1.08Å | 1.10Å | |
| C1D | C2D | sing | 1.55Å | 1.47Å | |
| C1D | O4D | sing | 1.44Å | 1.42Å | |
| C1D | H1D | sing | 1.09Å | 1.12Å | |
| C2D | O2D | sing | 1.43Å | 1.40Å | |
| C2D | C3D | sing | 1.55Å | 1.50Å | |
| C2D | H2D | sing | 1.09Å | 1.12Å | |
| O2D | HO2' | sing | 0.97Å | 0.95Å | |
| C3D | O3D | sing | 1.43Å | 1.45Å | |
| C3D | C4D | sing | 1.54Å | 1.53Å | |
| C3D | H3D | sing | 1.09Å | 1.11Å | |
| O3D | PU | sing | 1.61Å | 1.64Å | |
| C4D | O4D | sing | 1.44Å | 1.45Å | |
| C4D | C5D | sing | 1.53Å | 1.57Å | |
| C4D | H4D | sing | 1.09Å | 1.11Å | |
| O5D | C5D | sing | 1.43Å | 1.41Å | |
| C5D | H51U | sing | 1.09Å | 1.11Å | |
| C5D | H52U | sing | 1.09Å | 1.11Å | |
| PU | O1X | doub | 1.48Å | 1.56Å | |
| PU | O2X | sing | 1.61Å | 1.47Å | |
| PU | O3X | sing | 1.61Å | 1.51Å | |
| O2X | HO2U | sing | 0.97Å | 0.95Å | |
| O3X | HO3U | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 117.2° | 109.5° |
| O1A | PA | O3B | 112.8° | 109.5° |
| O1A | PA | O5D | 108.2° | 109.4° |
| O2A | PA | O3B | 110.4° | 109.5° |
| O2A | PA | O5D | 110.2° | 109.4° |
| PA | O2A | HOA2 | 117.2° | 106.8° |
| O3B | PA | O5D | 95.8° | 109.5° |
| PA | O3B | C3B | 128.3° | 106.8° |
| PA | O5D | C5D | 125.1° | 106.8° |
| C5B | O5B | HO5A | 109.6° | 106.8° |
| O5B | C5B | C4B | 109.6° | 109.5° |
| O5B | C5B | H51A | 112.2° | 109.5° |
| O5B | C5B | H52A | 112.1° | 109.5° |
| C4B | C5B | H51A | 112.2° | 109.5° |
| C4B | C5B | H52A | 112.2° | 109.4° |
| C5B | C4B | O4B | 109.8° | 110.4° |
| C5B | C4B | C3B | 120.8° | 110.5° |
| C5B | C4B | H4B | 100.0° | 110.3° |
| H51A | C5B | H52A | 98.2° | 109.5° |
| O4B | C4B | C3B | 106.7° | 104.8° |
| O4B | C4B | H4B | 116.1° | 110.4° |
| C4B | O4B | C1B | 110.4° | 105.3° |
| C3B | C4B | H4B | 103.7° | 110.4° |
| C4B | C3B | O3B | 112.1° | 110.6° |
| C4B | C3B | C2B | 98.5° | 104.1° |
| C4B | C3B | H3B | 114.4° | 110.5° |
| O4B | C1B | C2B | 100.0° | 104.9° |
| O4B | C1B | N9A | 106.0° | 110.4° |
| O4B | C1B | H1B | 118.7° | 110.3° |
| O3B | C3B | C2B | 108.3° | 110.5° |
| O3B | C3B | H3B | 105.7° | 110.5° |
| C2B | C3B | H3B | 117.9° | 110.6° |
| C3B | C2B | O2B | 115.8° | 110.5° |
| C3B | C2B | C1B | 102.9° | 104.0° |
| C3B | C2B | H2B | 110.7° | 110.5° |
| O2B | C2B | C1B | 112.1° | 110.8° |
| O2B | C2B | H2B | 101.2° | 110.5° |
| C2B | O2B | HO2A | 115.8° | 106.8° |
| C1B | C2B | H2B | 114.5° | 110.4° |
| C2B | C1B | N9A | 113.1° | 110.4° |
| C2B | C1B | H1B | 112.2° | 110.4° |
| N9A | C1B | H1B | 106.8° | 110.3° |
| C1B | N9A | C8A | 126.4° | 126.2° |
| C1B | N9A | C4A | 127.7° | 126.4° |
| C8A | N9A | C4A | 105.8° | 107.4° |
| N9A | C8A | N7A | 112.7° | 110.0° |
| N9A | C8A | H8A | 126.5° | 125.0° |
| N9A | C4A | C5A | 105.6° | 106.1° |
| N9A | C4A | N3A | 129.4° | 134.8° |
| N7A | C8A | H8A | 120.8° | 125.0° |
| C8A | N7A | C5A | 105.7° | 109.4° |
| N7A | C5A | C6A | 133.3° | 134.7° |
| N7A | C5A | C4A | 110.2° | 107.1° |
| C6A | C5A | C4A | 116.3° | 118.2° |
| C5A | C6A | N6A | 121.1° | 120.7° |
| C5A | C6A | N1A | 118.7° | 118.5° |
| C5A | C4A | N3A | 125.0° | 119.1° |
| N6A | C6A | N1A | 120.2° | 120.8° |
| C6A | N6A | H61A | 121.1° | 120.0° |
| C6A | N6A | H62A | 108.1° | 120.1° |
| C6A | N1A | C2A | 119.3° | 121.2° |
| H61A | N6A | H62A | 108.0° | 119.9° |
| N1A | C2A | N3A | 127.9° | 122.5° |
| N1A | C2A | H2A | 114.4° | 118.8° |
| N3A | C2A | H2A | 117.7° | 118.8° |
| C2A | N3A | C4A | 112.4° | 120.6° |
| C2U | N1U | C6U | 119.0° | 120.6° |
| C2U | N1U | C1D | 114.0° | 119.7° |
| N1U | C2U | O2U | 120.1° | 119.5° |
| N1U | C2U | N3U | 117.8° | 120.9° |
| C6U | N1U | C1D | 126.6° | 119.7° |
| N1U | C6U | C5U | 122.4° | 119.7° |
| N1U | C6U | H6U | 120.5° | 120.2° |
| N1U | C1D | C2D | 116.8° | 110.8° |
| N1U | C1D | O4D | 107.3° | 110.6° |
| N1U | C1D | H1D | 104.4° | 110.5° |
| O2U | C2U | N3U | 122.1° | 119.5° |
| C2U | N3U | C4U | 126.6° | 120.3° |
| C2U | N3U | H3U | 117.4° | 119.9° |
| C4U | N3U | H3U | 116.0° | 119.8° |
| N3U | C4U | O4U | 120.0° | 120.3° |
| N3U | C4U | C5U | 111.9° | 119.4° |
| O4U | C4U | C5U | 128.1° | 120.3° |
| C4U | C5U | C6U | 122.3° | 119.1° |
| C4U | C5U | H5U | 122.4° | 120.5° |
| C6U | C5U | H5U | 115.3° | 120.4° |
| C5U | C6U | H6U | 117.1° | 120.2° |
| C2D | C1D | O4D | 103.5° | 103.5° |
| C2D | C1D | H1D | 108.0° | 110.6° |
| C1D | C2D | O2D | 112.9° | 110.9° |
| C1D | C2D | C3D | 105.3° | 102.1° |
| C1D | C2D | H2D | 109.5° | 110.9° |
| O4D | C1D | H1D | 117.5° | 110.6° |
| C1D | O4D | C4D | 110.9° | 106.9° |
| O2D | C2D | C3D | 108.1° | 110.9° |
| O2D | C2D | H2D | 106.8° | 110.7° |
| C2D | O2D | HO2' | 113.0° | 106.8° |
| C3D | C2D | H2D | 114.2° | 111.0° |
| C2D | C3D | O3D | 115.7° | 110.5° |
| C2D | C3D | C4D | 102.7° | 104.0° |
| C2D | C3D | H3D | 110.2° | 110.5° |
| O3D | C3D | C4D | 110.2° | 110.8° |
| O3D | C3D | H3D | 102.7° | 110.4° |
| C3D | O3D | PU | 124.4° | 106.8° |
| C4D | C3D | H3D | 115.7° | 110.5° |
| C3D | C4D | O4D | 104.7° | 107.4° |
| C3D | C4D | C5D | 114.3° | 109.9° |
| C3D | C4D | H4D | 111.0° | 109.9° |
| O3D | PU | O1X | 104.5° | 109.5° |
| O3D | PU | O2X | 105.9° | 109.5° |
| O3D | PU | O3X | 108.1° | 109.5° |
| O4D | C4D | C5D | 113.5° | 109.8° |
| O4D | C4D | H4D | 111.8° | 109.9° |
| C5D | C4D | H4D | 101.8° | 109.9° |
| C4D | C5D | O5D | 107.8° | 109.5° |
| C4D | C5D | H51U | 112.8° | 109.5° |
| C4D | C5D | H52U | 112.8° | 109.4° |
| O5D | C5D | H51U | 112.9° | 109.5° |
| O5D | C5D | H52U | 112.8° | 109.4° |
| H51U | C5D | H52U | 97.6° | 109.5° |
| O1X | PU | O2X | 99.8° | 109.4° |
| O1X | PU | O3X | 117.3° | 109.5° |
| O2X | PU | O3X | 119.7° | 109.4° |
| PU | O2X | HO2U | 105.9° | 106.9° |
| PU | O3X | HO3U | 108.2° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O3B | 131.1° | 120.0° |
| O1A | PA | O2A | O5D | 124.4° | 120.0° |
| O1A | PA | O3B | O5D | 112.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O3B | C3B | 160.1° | 60.0° |
| O1A | PA | O5D | C5D | 68.8° | 60.0° |
| O2A | PA | O3B | O5D | 114.1° | 119.9° |
| O2A | PA | O3B | C3B | 26.8° | 60.1° |
| O2A | PA | O5D | C5D | 60.6° | 60.0° |
| O3B | PA | O2A | HOA2 | 49.0° | 59.9° |
| PA | O3B | C3B | C4B | 49.9° | 121.5° |
| PA | O3B | C3B | C2B | 157.5° | 123.9° |
| PA | O3B | C3B | H3B | 75.3° | 1.2° |
| O3B | PA | O5D | C5D | 174.8° | 180.0° |
| O5D | PA | O2A | HOA2 | 55.6° | 60.0° |
| O5D | PA | O3B | C3B | 87.3° | 180.0° |
| PA | O5D | C5D | C4D | 132.7° | 180.0° |
| PA | O5D | C5D | H51U | 102.0° | 60.0° |
| PA | O5D | C5D | H52U | 7.5° | 60.1° |
| O5B | C5B | C4B | H51A | 125.2° | 120.0° |
| O5B | C5B | C4B | H52A | 125.2° | 120.0° |
| O5B | C5B | H51A | H52A | 118.0° | 120.0° |
| O5B | C5B | C4B | O4B | 65.4° | 61.4° |
| O5B | C5B | C4B | C3B | 59.4° | 176.9° |
| O5B | C5B | C4B | H4B | 172.0° | 60.8° |
| HO5A | O5B | C5B | C4B | 180.0° | 180.0° |
| HO5A | O5B | C5B | H51A | 54.7° | 60.0° |
| HO5A | O5B | C5B | H52A | 54.7° | 60.0° |
| C4B | C5B | H51A | H52A | 118.2° | 119.9° |
| C5B | C4B | O4B | C3B | 132.5° | 119.0° |
| C5B | C4B | O4B | H4B | 112.5° | 122.2° |
| C5B | C4B | C3B | H4B | 110.7° | 122.2° |
| C5B | C4B | O4B | C1B | 140.9° | 159.5° |
| C5B | C4B | C3B | O3B | 140.2° | 98.4° |
| C5B | C4B | C3B | C2B | 106.0° | 143.0° |
| C5B | C4B | C3B | H3B | 19.9° | 24.2° |
| H51A | C5B | C4B | O4B | 169.4° | 178.5° |
| H51A | C5B | C4B | C3B | 65.9° | 63.0° |
| H51A | C5B | C4B | H4B | 46.8° | 59.2° |
| H52A | C5B | C4B | O4B | 59.9° | 58.6° |
| H52A | C5B | C4B | C3B | 175.4° | 56.9° |
| H52A | C5B | C4B | H4B | 62.7° | 179.2° |
| O4B | C4B | C3B | H4B | 123.1° | 118.9° |
| O4B | C4B | C3B | O3B | 93.6° | 142.7° |
| O4B | C4B | C3B | C2B | 20.2° | 24.1° |
| O4B | C4B | C3B | H3B | 146.1° | 94.7° |
| C4B | O4B | C1B | C2B | 33.7° | 40.4° |
| C4B | O4B | C1B | N9A | 151.5° | 159.4° |
| C4B | O4B | C1B | H1B | 88.6° | 78.5° |
| C3B | C4B | O4B | C1B | 8.3° | 40.5° |
| C4B | C3B | O3B | C2B | 107.6° | 114.7° |
| C4B | C3B | O3B | H3B | 125.2° | 122.6° |
| C4B | C3B | C2B | H3B | 123.5° | 118.7° |
| C4B | C3B | C2B | O2B | 162.9° | 118.8° |
| C4B | C3B | C2B | C1B | 40.2° | 0.1° |
| C4B | C3B | C2B | H2B | 82.6° | 118.6° |
| H4B | C4B | O4B | C1B | 106.6° | 78.4° |
| H4B | C4B | C3B | O3B | 29.5° | 23.8° |
| H4B | C4B | C3B | C2B | 143.2° | 94.8° |
| H4B | C4B | C3B | H3B | 90.8° | 146.4° |
| O4B | C1B | C2B | C3B | 46.1° | 23.8° |
| O4B | C1B | C2B | O2B | 171.2° | 142.6° |
| O4B | C1B | C2B | N9A | 112.3° | 118.9° |
| O4B | C1B | C2B | H1B | 126.8° | 118.8° |
| O4B | C1B | C2B | H2B | 74.2° | 94.7° |
| O4B | C1B | N9A | H1B | 127.5° | 122.2° |
| O4B | C1B | N9A | C8A | 131.4° | 27.1° |
| O4B | C1B | N9A | C4A | 47.8° | 153.0° |
| O3B | C3B | C2B | H3B | 119.7° | 122.6° |
| O3B | C3B | C2B | O2B | 46.1° | 0.1° |
| O3B | C3B | C2B | C1B | 76.6° | 118.8° |
| O3B | C3B | C2B | H2B | 160.6° | 122.7° |
| C3B | C2B | O2B | C1B | 117.7° | 114.7° |
| C3B | C2B | O2B | H2B | 119.8° | 122.6° |
| C3B | C2B | C1B | H2B | 120.2° | 118.6° |
| C3B | C2B | O2B | HO2A | 179.9° | 180.0° |
| C3B | C2B | C1B | N9A | 158.4° | 142.8° |
| C3B | C2B | C1B | H1B | 80.7° | 95.0° |
| H3B | C3B | C2B | O2B | 73.6° | 122.5° |
| H3B | C3B | C2B | C1B | 163.6° | 118.5° |
| H3B | C3B | C2B | H2B | 40.9° | 0.0° |
| O2B | C2B | C1B | H2B | 114.6° | 122.7° |
| O2B | C2B | C1B | N9A | 76.4° | 98.5° |
| O2B | C2B | C1B | H1B | 44.4° | 23.7° |
| C1B | C2B | O2B | HO2A | 62.4° | 65.3° |
| C2B | C1B | N9A | H1B | 123.9° | 122.3° |
| C2B | C1B | N9A | C8A | 119.9° | 88.4° |
| C2B | C1B | N9A | C4A | 60.8° | 91.5° |
| H2B | C2B | O2B | HO2A | 60.1° | 57.4° |
| H2B | C2B | C1B | N9A | 38.2° | 24.2° |
| H2B | C2B | C1B | H1B | 159.1° | 146.4° |
| C1B | N9A | C8A | C4A | 179.4° | 179.9° |
| C1B | N9A | C8A | N7A | 179.0° | 179.9° |
| C1B | N9A | C8A | H8A | 0.9° | 0.1° |
| C1B | N9A | C4A | C5A | 179.1° | 179.7° |
| C1B | N9A | C4A | N3A | 0.8° | 0.1° |
| H1B | C1B | N9A | C8A | 4.0° | 149.3° |
| H1B | C1B | N9A | C4A | 175.3° | 30.8° |
| N9A | C8A | N7A | H8A | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 0.9° | 0.2° |
| C8A | N9A | C4A | C5A | 1.5° | 0.2° |
| C8A | N9A | C4A | N3A | 178.6° | 180.0° |
| C4A | N9A | C8A | N7A | 1.6° | 0.0° |
| C4A | N9A | C8A | H8A | 178.5° | 180.0° |
| N9A | C4A | C5A | N7A | 1.0° | 0.3° |
| N9A | C4A | C5A | C6A | 175.1° | 179.6° |
| N9A | C4A | C5A | N3A | 179.9° | 179.9° |
| N9A | C4A | N3A | C2A | 179.4° | 180.0° |
| C8A | N7A | C5A | C6A | 175.1° | 179.5° |
| C8A | N7A | C5A | C4A | 0.1° | 0.4° |
| H8A | C8A | N7A | C5A | 179.1° | 179.8° |
| N7A | C5A | C6A | C4A | 175.0° | 179.1° |
| N7A | C5A | C6A | N6A | 1.8° | 0.7° |
| N7A | C5A | C6A | N1A | 179.9° | 179.6° |
| N7A | C5A | C4A | N3A | 179.0° | 179.8° |
| C5A | C6A | N6A | N1A | 178.3° | 179.7° |
| C5A | C6A | N6A | H61A | 180.0° | 179.7° |
| C5A | C6A | N6A | H62A | 54.7° | 0.5° |
| C5A | C6A | N1A | C2A | 1.3° | 0.3° |
| C6A | C5A | C4A | N3A | 4.8° | 0.5° |
| C4A | C5A | C6A | N6A | 173.2° | 179.7° |
| C4A | C5A | C6A | N1A | 5.2° | 0.5° |
| C5A | C4A | N3A | C2A | 0.4° | 0.2° |
| C6A | N6A | H61A | H62A | 125.2° | 179.8° |
| N6A | C6A | N1A | C2A | 177.0° | 180.0° |
| N1A | C6A | N6A | H61A | 1.7° | 0.0° |
| N1A | C6A | N6A | H62A | 127.0° | 179.7° |
| C6A | N1A | C2A | N3A | 3.8° | 0.0° |
| C6A | N1A | C2A | H2A | 176.2° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 4.2° | 0.0° |
| H2A | C2A | N3A | C4A | 175.8° | 180.0° |
| C2U | N1U | C6U | C1D | 172.2° | 179.8° |
| N1U | C2U | O2U | N3U | 178.0° | 179.5° |
| N1U | C2U | N3U | C4U | 0.6° | 0.5° |
| N1U | C2U | N3U | H3U | 179.4° | 179.7° |
| C2U | N1U | C6U | C5U | 2.6° | 0.2° |
| C2U | N1U | C6U | H6U | 177.3° | 179.8° |
| C2U | N1U | C1D | C2D | 126.6° | 55.9° |
| C2U | N1U | C1D | O4D | 117.9° | 58.3° |
| C2U | N1U | C1D | H1D | 7.4° | 178.9° |
| C6U | N1U | C2U | O2U | 180.0° | 180.0° |
| C6U | N1U | C2U | N3U | 2.0° | 0.5° |
| N1U | C6U | C5U | C4U | 0.7° | 0.0° |
| N1U | C6U | C5U | H6U | 180.0° | 180.0° |
| N1U | C6U | C5U | H5U | 179.3° | 180.0° |
| C6U | N1U | C1D | C2D | 60.9° | 124.4° |
| C6U | N1U | C1D | O4D | 54.6° | 121.5° |
| C6U | N1U | C1D | H1D | 179.9° | 1.4° |
| C1D | N1U | C2U | O2U | 6.9° | 0.2° |
| C1D | N1U | C2U | N3U | 171.1° | 179.8° |
| C1D | N1U | C6U | C5U | 169.6° | 180.0° |
| C1D | N1U | C6U | H6U | 10.5° | 0.0° |
| N1U | C1D | C2D | O4D | 117.6° | 118.6° |
| N1U | C1D | C2D | H1D | 117.2° | 123.0° |
| N1U | C1D | O4D | H1D | 117.0° | 122.8° |
| N1U | C1D | C2D | O2D | 88.6° | 86.1° |
| N1U | C1D | C2D | C3D | 153.6° | 155.7° |
| N1U | C1D | C2D | H2D | 30.2° | 37.3° |
| N1U | C1D | O4D | C4D | 149.9° | 158.8° |
| O2U | C2U | N3U | C4U | 177.5° | 180.0° |
| O2U | C2U | N3U | H3U | 2.6° | 0.2° |
| C2U | N3U | C4U | H3U | 179.9° | 179.8° |
| C2U | N3U | C4U | O4U | 175.7° | 179.7° |
| C2U | N3U | C4U | C5U | 2.3° | 0.3° |
| N3U | C4U | O4U | C5U | 177.7° | 180.0° |
| N3U | C4U | C5U | C6U | 1.6° | 0.1° |
| N3U | C4U | C5U | H5U | 178.3° | 180.0° |
| H3U | N3U | C4U | O4U | 4.3° | 0.0° |
| H3U | N3U | C4U | C5U | 177.6° | 180.0° |
| O4U | C4U | C5U | C6U | 176.2° | 180.0° |
| O4U | C4U | C5U | H5U | 3.8° | 0.0° |
| C4U | C5U | C6U | H5U | 180.0° | 179.9° |
| C4U | C5U | C6U | H6U | 179.3° | 180.0° |
| H5U | C5U | C6U | H6U | 0.7° | 0.0° |
| C2D | C1D | O4D | H1D | 118.9° | 118.5° |
| C1D | C2D | O2D | C3D | 116.1° | 112.8° |
| C1D | C2D | O2D | H2D | 120.5° | 123.6° |
| C1D | C2D | C3D | H2D | 120.3° | 118.3° |
| C1D | C2D | O2D | HO2' | 180.0° | 61.4° |
| C1D | C2D | C3D | O3D | 88.0° | 98.0° |
| C1D | C2D | C3D | C4D | 32.2° | 21.0° |
| C1D | C2D | C3D | H3D | 156.1° | 139.6° |
| C2D | C1D | O4D | C4D | 25.9° | 40.1° |
| O4D | C1D | C2D | O2D | 153.8° | 155.3° |
| O4D | C1D | C2D | C3D | 36.0° | 37.1° |
| O4D | C1D | C2D | H2D | 87.4° | 81.2° |
| C1D | O4D | C4D | C3D | 5.7° | 26.5° |
| C1D | O4D | C4D | C5D | 130.9° | 145.9° |
| C1D | O4D | C4D | H4D | 114.6° | 93.0° |
| H1D | C1D | C2D | O2D | 28.5° | 36.8° |
| H1D | C1D | C2D | C3D | 89.3° | 81.4° |
| H1D | C1D | C2D | H2D | 147.4° | 160.3° |
| H1D | C1D | O4D | C4D | 93.1° | 78.4° |
| O2D | C2D | C3D | H2D | 118.8° | 123.5° |
| O2D | C2D | C3D | O3D | 33.0° | 20.3° |
| O2D | C2D | C3D | C4D | 153.2° | 139.2° |
| O2D | C2D | C3D | H3D | 83.0° | 102.2° |
| C3D | C2D | O2D | HO2' | 63.9° | 174.1° |
| C2D | C3D | O3D | C4D | 116.0° | 114.7° |
| C2D | C3D | O3D | H3D | 120.1° | 122.5° |
| C2D | C3D | C4D | H3D | 120.1° | 118.6° |
| C2D | C3D | O3D | PU | 153.2° | 121.5° |
| C2D | C3D | C4D | O4D | 16.3° | 2.0° |
| C2D | C3D | C4D | C5D | 108.4° | 121.4° |
| C2D | C3D | C4D | H4D | 137.2° | 117.6° |
| H2D | C2D | O2D | HO2' | 59.5° | 62.2° |
| H2D | C2D | C3D | O3D | 151.8° | 143.8° |
| H2D | C2D | C3D | C4D | 88.1° | 97.3° |
| H2D | C2D | C3D | H3D | 35.8° | 21.3° |
| O3D | C3D | C4D | H3D | 116.0° | 122.7° |
| O3D | C3D | C4D | O4D | 107.5° | 120.7° |
| O3D | C3D | C4D | C5D | 127.8° | 119.9° |
| O3D | C3D | C4D | H4D | 13.4° | 1.1° |
| C3D | O3D | PU | O1X | 33.0° | 60.0° |
| C3D | O3D | PU | O2X | 71.9° | 180.0° |
| C3D | O3D | PU | O3X | 158.7° | 60.0° |
| C4D | C3D | O3D | PU | 90.8° | 123.8° |
| C3D | C4D | O4D | C5D | 125.2° | 119.5° |
| C3D | C4D | O4D | H4D | 120.3° | 119.5° |
| C3D | C4D | C5D | H4D | 119.7° | 121.0° |
| C3D | C4D | C5D | O5D | 56.6° | 179.7° |
| C3D | C4D | C5D | H51U | 178.1° | 59.7° |
| C3D | C4D | C5D | H52U | 68.6° | 60.4° |
| H3D | C3D | O3D | PU | 33.1° | 1.0° |
| H3D | C3D | C4D | O4D | 136.5° | 116.6° |
| H3D | C3D | C4D | C5D | 11.7° | 2.8° |
| H3D | C3D | C4D | H4D | 102.7° | 123.8° |
| O3D | PU | O1X | O2X | 109.3° | 120.1° |
| O3D | PU | O1X | O3X | 119.7° | 120.0° |
| O3D | PU | O2X | O3X | 122.3° | 120.0° |
| O3D | PU | O2X | HO2U | 180.0° | 180.0° |
| O3D | PU | O3X | HO3U | 179.9° | 60.0° |
| O4D | C4D | C5D | H4D | 120.3° | 121.0° |
| O4D | C4D | C5D | O5D | 63.3° | 61.8° |
| O4D | C4D | C5D | H51U | 61.9° | 58.3° |
| O4D | C4D | C5D | H52U | 171.4° | 178.3° |
| C4D | C5D | O5D | H51U | 125.2° | 120.1° |
| C4D | C5D | O5D | H52U | 125.2° | 119.9° |
| C4D | C5D | H51U | H52U | 118.8° | 120.0° |
| H4D | C4D | C5D | O5D | 176.3° | 59.3° |
| H4D | C4D | C5D | H51U | 58.4° | 179.3° |
| H4D | C4D | C5D | H52U | 51.1° | 60.6° |
| O5D | C5D | H51U | H52U | 118.8° | 120.0° |
| O1X | PU | O2X | O3X | 129.4° | 120.0° |
| O1X | PU | O2X | HO2U | 71.7° | 60.0° |
| O1X | PU | O3X | HO3U | 62.2° | 180.0° |
| O2X | PU | O3X | HO3U | 58.8° | 60.1° |
| O3X | PU | O2X | HO2U | 57.6° | 60.0° |
