SAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| PA | O3 | sing | 1.61Å | 1.60Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.44Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C5B | H51A | sing | 1.09Å | 1.11Å | |
| C5B | H52A | sing | 1.09Å | 1.12Å | |
| C4B | O4B | sing | 1.44Å | 1.47Å | |
| C4B | C3B | sing | 1.54Å | 1.51Å | |
| C4B | H4B | sing | 1.09Å | 1.12Å | |
| O4B | C1B | sing | 1.44Å | 1.47Å | |
| C3B | O3B | sing | 1.43Å | 1.45Å | |
| C3B | C2B | sing | 1.55Å | 1.56Å | |
| C3B | H3B | sing | 1.09Å | 1.11Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.44Å | |
| C2B | C1B | sing | 1.55Å | 1.54Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.51Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.37Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.36Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.35Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.42Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| 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 | 1.35Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.36Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.37Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.61Å | |
| PN | O1N | doub | 1.48Å | 1.49Å | |
| PN | O2N | sing | 1.61Å | 1.48Å | |
| PN | O5D | sing | 1.61Å | 1.62Å | |
| O2N | HON2 | sing | 0.97Å | 0.95Å | |
| O5D | C5D | sing | 1.43Å | 1.46Å | |
| C5D | C4D | sing | 1.53Å | 1.53Å | |
| C5D | H51N | sing | 1.09Å | 1.11Å | |
| C5D | H52N | sing | 1.09Å | 1.11Å | |
| C4D | O4D | sing | 1.44Å | 1.43Å | |
| C4D | C3D | sing | 1.54Å | 1.51Å | |
| C4D | H4D | sing | 1.09Å | 1.11Å | |
| O4D | C1D | sing | 1.44Å | 1.43Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.55Å | 1.51Å | |
| C3D | H3D | sing | 1.09Å | 1.12Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.44Å | |
| C2D | C1D | sing | 1.54Å | 1.53Å | |
| C2D | H2D | sing | 1.09Å | 1.12Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | C2N | sing | 1.51Å | 1.51Å | |
| C1D | H1D | sing | 1.09Å | 1.12Å | |
| C2N | N3N | doub | 1.32Å | 1.32Å | Aromatic |
| C2N | SE1N | sing | 1.99Å | 1.73Å | Aromatic |
| N3N | C4N | sing | 1.34Å | 1.33Å | Aromatic |
| C4N | C5N | doub | 1.37Å | 1.35Å | Aromatic |
| C4N | C6N | sing | 1.48Å | 1.53Å | |
| C5N | SE1N | sing | 2.00Å | 1.71Å | Aromatic |
| C5N | HN5 | sing | 1.08Å | 1.10Å | |
| C6N | O6N | doub | 1.22Å | 1.23Å | |
| C6N | N6N | sing | 1.35Å | 1.32Å | |
| N6N | H61N | sing | 0.97Å | 1.02Å | |
| N6N | H62N | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 119.6° | 109.4° |
| O1A | PA | O5B | 108.3° | 109.5° |
| O1A | PA | O3 | 109.5° | 109.5° |
| O2A | PA | O5B | 109.5° | 109.5° |
| O2A | PA | O3 | 109.1° | 109.4° |
| PA | O2A | HOA2 | 119.6° | 106.8° |
| O5B | PA | O3 | 98.8° | 109.5° |
| PA | O5B | C5B | 121.0° | 106.8° |
| PA | O3 | PN | 134.8° | 106.8° |
| O5B | C5B | C4B | 108.3° | 109.4° |
| O5B | C5B | H51A | 112.6° | 109.4° |
| O5B | C5B | H52A | 112.6° | 109.5° |
| C4B | C5B | H51A | 112.7° | 109.5° |
| C4B | C5B | H52A | 112.6° | 109.5° |
| C5B | C4B | O4B | 93.9° | 109.9° |
| C5B | C4B | C3B | 105.2° | 109.9° |
| C5B | C4B | H4B | 121.8° | 109.9° |
| H51A | C5B | H52A | 97.8° | 109.5° |
| O4B | C4B | C3B | 111.5° | 107.4° |
| O4B | C4B | H4B | 116.5° | 109.9° |
| C4B | O4B | C1B | 104.1° | 107.0° |
| C3B | C4B | H4B | 107.0° | 109.8° |
| C4B | C3B | O3B | 110.2° | 110.8° |
| C4B | C3B | C2B | 101.0° | 104.0° |
| C4B | C3B | H3B | 121.3° | 110.4° |
| O4B | C1B | C2B | 103.4° | 103.5° |
| O4B | C1B | N9A | 115.2° | 110.6° |
| O4B | C1B | H1B | 111.2° | 110.6° |
| O3B | C3B | C2B | 124.5° | 110.5° |
| O3B | C3B | H3B | 95.7° | 110.5° |
| C3B | O3B | HO3A | 110.2° | 106.8° |
| C2B | C3B | H3B | 105.8° | 110.5° |
| C3B | C2B | O2B | 118.3° | 110.9° |
| C3B | C2B | C1B | 102.4° | 102.1° |
| C3B | C2B | H2B | 110.6° | 111.0° |
| O2B | C2B | C1B | 114.9° | 110.9° |
| O2B | C2B | H2B | 96.8° | 110.8° |
| C2B | O2B | HO2A | 118.3° | 106.8° |
| C1B | C2B | H2B | 114.4° | 110.9° |
| C2B | C1B | N9A | 113.3° | 110.8° |
| C2B | C1B | H1B | 113.2° | 110.6° |
| N9A | C1B | H1B | 100.9° | 110.5° |
| C1B | N9A | C8A | 126.1° | 126.2° |
| C1B | N9A | C4A | 126.1° | 126.3° |
| C8A | N9A | C4A | 107.8° | 107.5° |
| N9A | C8A | N7A | 111.7° | 110.0° |
| N9A | C8A | H8A | 124.6° | 125.0° |
| N9A | C4A | C5A | 104.4° | 106.0° |
| N9A | C4A | N3A | 137.6° | 134.9° |
| N7A | C8A | H8A | 123.7° | 125.0° |
| C8A | N7A | C5A | 104.0° | 109.4° |
| N7A | C5A | C6A | 127.2° | 134.7° |
| N7A | C5A | C4A | 111.9° | 107.1° |
| C6A | C5A | C4A | 120.8° | 118.1° |
| C5A | C6A | N6A | 123.7° | 120.7° |
| C5A | C6A | N1A | 116.3° | 118.5° |
| C5A | C4A | N3A | 118.0° | 119.1° |
| N6A | C6A | N1A | 120.0° | 120.8° |
| C6A | N6A | H61A | 123.7° | 120.0° |
| C6A | N6A | H62A | 107.1° | 120.0° |
| C6A | N1A | C2A | 123.3° | 121.2° |
| H61A | N6A | H62A | 107.3° | 119.9° |
| N1A | C2A | N3A | 119.6° | 122.5° |
| N1A | C2A | H2A | 120.1° | 118.7° |
| N3A | C2A | H2A | 120.3° | 118.8° |
| C2A | N3A | C4A | 121.8° | 120.7° |
| O3 | PN | O1N | 105.3° | 109.5° |
| O3 | PN | O2N | 108.9° | 109.5° |
| O3 | PN | O5D | 98.0° | 109.4° |
| O1N | PN | O2N | 117.3° | 109.4° |
| O1N | PN | O5D | 119.1° | 109.5° |
| O2N | PN | O5D | 106.3° | 109.5° |
| PN | O2N | HON2 | 108.8° | 106.7° |
| PN | O5D | C5D | 116.9° | 106.8° |
| O5D | C5D | C4D | 118.8° | 109.5° |
| O5D | C5D | H51N | 108.8° | 109.5° |
| O5D | C5D | H52N | 108.8° | 109.5° |
| C4D | C5D | H51N | 108.9° | 109.4° |
| C4D | C5D | H52N | 108.8° | 109.4° |
| C5D | C4D | O4D | 109.4° | 110.3° |
| C5D | C4D | C3D | 111.6° | 110.5° |
| C5D | C4D | H4D | 107.0° | 110.3° |
| H51N | C5D | H52N | 101.3° | 109.5° |
| O4D | C4D | C3D | 105.9° | 104.8° |
| O4D | C4D | H4D | 112.6° | 110.4° |
| C4D | O4D | C1D | 108.1° | 105.3° |
| C3D | C4D | H4D | 110.4° | 110.4° |
| C4D | C3D | O3D | 111.4° | 110.5° |
| C4D | C3D | C2D | 100.6° | 104.1° |
| C4D | C3D | H3D | 113.4° | 110.5° |
| O4D | C1D | C2D | 107.1° | 104.9° |
| O4D | C1D | C2N | 103.0° | 110.4° |
| O4D | C1D | H1D | 118.4° | 110.4° |
| O3D | C3D | C2D | 107.6° | 110.5° |
| O3D | C3D | H3D | 107.0° | 110.5° |
| C3D | O3D | HO3N | 111.3° | 106.8° |
| C2D | C3D | H3D | 116.8° | 110.5° |
| C3D | C2D | O2D | 109.8° | 110.5° |
| C3D | C2D | C1D | 103.1° | 104.0° |
| C3D | C2D | H2D | 114.2° | 110.5° |
| O2D | C2D | C1D | 111.8° | 110.8° |
| O2D | C2D | H2D | 105.9° | 110.4° |
| C2D | O2D | HO2N | 109.8° | 106.7° |
| C1D | C2D | H2D | 112.2° | 110.4° |
| C2D | C1D | C2N | 117.9° | 110.4° |
| C2D | C1D | H1D | 103.6° | 110.3° |
| C2N | C1D | H1D | 107.6° | 110.3° |
| C1D | C2N | N3N | 120.8° | 131.3° |
| C1D | C2N | SE1N | 122.5° | 131.3° |
| N3N | C2N | SE1N | 116.7° | 97.4° |
| C2N | N3N | C4N | 108.7° | 127.3° |
| C2N | SE1N | C5N | 86.3° | 94.0° |
| N3N | C4N | C5N | 116.5° | 124.6° |
| N3N | C4N | C6N | 119.2° | 117.6° |
| C5N | C4N | C6N | 124.3° | 117.7° |
| C4N | C5N | SE1N | 111.7° | 96.8° |
| C4N | C5N | HN5 | 114.1° | 131.6° |
| C4N | C6N | O6N | 121.6° | 120.0° |
| C4N | C6N | N6N | 115.5° | 119.9° |
| SE1N | C5N | HN5 | 134.2° | 131.7° |
| O6N | C6N | N6N | 122.9° | 120.0° |
| C6N | N6N | H61N | 122.9° | 120.0° |
| C6N | N6N | H62N | 115.6° | 120.0° |
| H61N | N6N | H62N | 121.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 125.7° | 120.0° |
| O1A | PA | O2A | O3 | 127.1° | 120.0° |
| O1A | PA | O5B | O3 | 114.0° | 120.1° |
| O1A | PA | O2A | HOA2 | 180.0° | 179.9° |
| O1A | PA | O5B | C5B | 171.0° | 59.9° |
| O1A | PA | O3 | PN | 84.7° | 60.0° |
| O2A | PA | O5B | O3 | 114.0° | 120.0° |
| O2A | PA | O5B | C5B | 57.1° | 60.0° |
| O2A | PA | O3 | PN | 142.6° | 60.0° |
| O5B | PA | O2A | HOA2 | 54.3° | 59.9° |
| PA | O5B | C5B | C4B | 175.3° | 180.0° |
| PA | O5B | C5B | H51A | 50.0° | 60.0° |
| PA | O5B | C5B | H52A | 59.5° | 60.0° |
| O5B | PA | O3 | PN | 28.3° | 180.0° |
| O3 | PA | O2A | HOA2 | 52.8° | 60.1° |
| O3 | PA | O5B | C5B | 57.0° | 180.0° |
| PA | O3 | PN | O1N | 110.6° | 59.9° |
| PA | O3 | PN | O2N | 16.0° | 60.0° |
| PA | O3 | PN | O5D | 126.3° | 180.0° |
| O5B | C5B | C4B | H51A | 125.3° | 120.0° |
| O5B | C5B | C4B | H52A | 125.2° | 120.0° |
| O5B | C5B | H51A | H52A | 118.5° | 120.0° |
| O5B | C5B | C4B | O4B | 55.2° | 61.8° |
| O5B | C5B | C4B | C3B | 168.8° | 179.7° |
| O5B | C5B | C4B | H4B | 69.4° | 59.3° |
| C4B | C5B | H51A | H52A | 118.6° | 120.1° |
| C5B | C4B | O4B | C3B | 108.1° | 119.5° |
| C5B | C4B | O4B | H4B | 128.7° | 121.1° |
| C5B | C4B | C3B | H4B | 131.0° | 121.0° |
| C5B | C4B | O4B | C1B | 124.0° | 145.9° |
| C5B | C4B | C3B | O3B | 136.5° | 119.8° |
| C5B | C4B | C3B | C2B | 90.1° | 121.4° |
| C5B | C4B | C3B | H3B | 26.2° | 2.9° |
| H51A | C5B | C4B | O4B | 70.1° | 58.2° |
| H51A | C5B | C4B | C3B | 43.5° | 59.8° |
| H51A | C5B | C4B | H4B | 165.3° | 179.3° |
| H52A | C5B | C4B | O4B | 179.6° | 178.2° |
| H52A | C5B | C4B | C3B | 66.0° | 60.3° |
| H52A | C5B | C4B | H4B | 55.8° | 60.6° |
| O4B | C4B | C3B | H4B | 128.5° | 119.5° |
| O4B | C4B | C3B | O3B | 122.9° | 120.7° |
| O4B | C4B | C3B | C2B | 10.4° | 1.9° |
| O4B | C4B | C3B | H3B | 126.7° | 116.6° |
| C4B | O4B | C1B | C2B | 35.8° | 40.1° |
| C4B | O4B | C1B | N9A | 160.0° | 158.8° |
| C4B | O4B | C1B | H1B | 86.0° | 78.4° |
| C3B | C4B | O4B | C1B | 16.0° | 26.5° |
| C4B | C3B | O3B | C2B | 120.0° | 114.7° |
| C4B | C3B | O3B | H3B | 126.4° | 122.7° |
| C4B | C3B | C2B | H3B | 127.3° | 118.5° |
| C4B | C3B | O3B | HO3A | 180.0° | 176.2° |
| C4B | C3B | C2B | O2B | 158.8° | 139.2° |
| C4B | C3B | C2B | C1B | 31.3° | 21.0° |
| C4B | C3B | C2B | H2B | 90.9° | 97.2° |
| H4B | C4B | O4B | C1B | 107.3° | 93.0° |
| H4B | C4B | C3B | O3B | 5.6° | 1.2° |
| H4B | C4B | C3B | C2B | 138.9° | 117.6° |
| H4B | C4B | C3B | H3B | 104.8° | 123.9° |
| O4B | C1B | C2B | C3B | 42.6° | 37.1° |
| O4B | C1B | C2B | O2B | 172.1° | 155.3° |
| O4B | C1B | C2B | N9A | 125.4° | 118.6° |
| O4B | C1B | C2B | H1B | 120.4° | 118.5° |
| O4B | C1B | C2B | H2B | 77.1° | 81.2° |
| O4B | C1B | N9A | H1B | 119.9° | 122.9° |
| O4B | C1B | N9A | C8A | 37.6° | 28.6° |
| O4B | C1B | N9A | C4A | 141.2° | 151.8° |
| O3B | C3B | C2B | H3B | 108.7° | 122.6° |
| O3B | C3B | C2B | O2B | 34.7° | 20.3° |
| O3B | C3B | C2B | C1B | 92.7° | 97.9° |
| O3B | C3B | C2B | H2B | 145.0° | 143.8° |
| C2B | C3B | O3B | HO3A | 60.1° | 61.5° |
| C3B | C2B | O2B | C1B | 121.2° | 112.7° |
| C3B | C2B | O2B | H2B | 117.9° | 123.7° |
| C3B | C2B | C1B | H2B | 119.7° | 118.3° |
| C3B | C2B | O2B | HO2A | 180.0° | 67.2° |
| C3B | C2B | C1B | N9A | 168.0° | 155.7° |
| C3B | C2B | C1B | H1B | 77.9° | 81.4° |
| H3B | C3B | O3B | HO3A | 53.6° | 61.1° |
| H3B | C3B | C2B | O2B | 74.0° | 102.3° |
| H3B | C3B | C2B | C1B | 158.6° | 139.5° |
| H3B | C3B | C2B | H2B | 36.3° | 21.3° |
| O2B | C2B | C1B | H2B | 110.8° | 123.5° |
| O2B | C2B | C1B | N9A | 62.4° | 86.1° |
| O2B | C2B | C1B | H1B | 51.7° | 36.8° |
| C1B | C2B | O2B | HO2A | 58.8° | 180.0° |
| C2B | C1B | N9A | H1B | 121.3° | 123.0° |
| C2B | C1B | N9A | C8A | 81.2° | 85.6° |
| C2B | C1B | N9A | C4A | 100.0° | 94.0° |
| H2B | C2B | O2B | HO2A | 62.1° | 56.4° |
| H2B | C2B | C1B | N9A | 48.3° | 37.4° |
| H2B | C2B | C1B | H1B | 162.5° | 160.3° |
| C1B | N9A | C8A | C4A | 179.0° | 179.7° |
| C1B | N9A | C8A | N7A | 178.0° | 179.9° |
| C1B | N9A | C8A | H8A | 2.0° | 0.0° |
| C1B | N9A | C4A | C5A | 175.6° | 179.9° |
| C1B | N9A | C4A | N3A | 3.9° | 0.9° |
| H1B | C1B | N9A | C8A | 157.5° | 151.4° |
| H1B | C1B | N9A | C4A | 21.3° | 29.0° |
| N9A | C8A | N7A | H8A | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 2.0° | 0.0° |
| C8A | N9A | C4A | C5A | 3.4° | 0.4° |
| C8A | N9A | C4A | N3A | 177.1° | 179.5° |
| C4A | N9A | C8A | N7A | 1.0° | 0.3° |
| C4A | N9A | C8A | H8A | 179.0° | 179.7° |
| N9A | C4A | C5A | N7A | 4.9° | 0.4° |
| N9A | C4A | C5A | C6A | 177.1° | 179.7° |
| N9A | C4A | C5A | N3A | 179.6° | 179.2° |
| N9A | C4A | N3A | C2A | 178.0° | 179.5° |
| C8A | N7A | C5A | C6A | 177.9° | 179.9° |
| C8A | N7A | C5A | C4A | 4.3° | 0.3° |
| H8A | C8A | N7A | C5A | 177.9° | 180.0° |
| N7A | C5A | C6A | C4A | 177.6° | 179.8° |
| N7A | C5A | C6A | N6A | 4.7° | 0.1° |
| N7A | C5A | C6A | N1A | 174.4° | 180.0° |
| N7A | C5A | C4A | N3A | 175.4° | 179.7° |
| C5A | C6A | N6A | N1A | 179.1° | 179.9° |
| C5A | C6A | N6A | H61A | 180.0° | 180.0° |
| C5A | C6A | N6A | H62A | 54.7° | 0.1° |
| C5A | C6A | N1A | C2A | 3.1° | 0.1° |
| C6A | C5A | C4A | N3A | 2.5° | 0.5° |
| C4A | C5A | C6A | N6A | 177.7° | 179.7° |
| C4A | C5A | C6A | N1A | 3.2° | 0.2° |
| C5A | C4A | N3A | C2A | 1.5° | 0.5° |
| C6A | N6A | H61A | H62A | 125.3° | 179.9° |
| N6A | C6A | N1A | C2A | 177.8° | 179.9° |
| N1A | C6A | N6A | H61A | 1.0° | 0.1° |
| N1A | C6A | N6A | H62A | 124.4° | 180.0° |
| C6A | N1A | C2A | N3A | 2.1° | 0.0° |
| C6A | N1A | C2A | H2A | 177.9° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 1.2° | 0.3° |
| H2A | C2A | N3A | C4A | 178.8° | 179.7° |
| O3 | PN | O1N | O2N | 121.2° | 120.0° |
| O3 | PN | O1N | O5D | 108.5° | 120.0° |
| O3 | PN | O2N | O5D | 104.6° | 120.0° |
| O3 | PN | O2N | HON2 | 180.0° | 60.0° |
| O3 | PN | O5D | C5D | 76.9° | 180.0° |
| O1N | PN | O2N | O5D | 136.0° | 120.1° |
| O1N | PN | O2N | HON2 | 60.6° | 180.0° |
| O1N | PN | O5D | C5D | 170.6° | 60.0° |
| O2N | PN | O5D | C5D | 35.5° | 60.0° |
| O5D | PN | O2N | HON2 | 75.4° | 60.0° |
| PN | O5D | C5D | C4D | 130.9° | 180.0° |
| PN | O5D | C5D | H51N | 5.7° | 60.0° |
| PN | O5D | C5D | H52N | 103.8° | 60.1° |
| O5D | C5D | C4D | H51N | 125.2° | 120.0° |
| O5D | C5D | C4D | H52N | 125.2° | 120.0° |
| O5D | C5D | H51N | H52N | 114.6° | 120.1° |
| O5D | C5D | C4D | O4D | 75.1° | 61.5° |
| O5D | C5D | C4D | C3D | 41.7° | 176.9° |
| O5D | C5D | C4D | H4D | 162.6° | 60.8° |
| C4D | C5D | H51N | H52N | 114.6° | 120.0° |
| C5D | C4D | O4D | C3D | 120.3° | 118.9° |
| C5D | C4D | O4D | H4D | 118.9° | 122.3° |
| C5D | C4D | C3D | H4D | 118.9° | 122.3° |
| C5D | C4D | O4D | C1D | 146.7° | 159.5° |
| C5D | C4D | C3D | O3D | 88.9° | 98.4° |
| C5D | C4D | C3D | C2D | 157.3° | 142.9° |
| C5D | C4D | C3D | H3D | 31.9° | 24.2° |
| H51N | C5D | C4D | O4D | 159.6° | 178.5° |
| H51N | C5D | C4D | C3D | 83.5° | 63.1° |
| H51N | C5D | C4D | H4D | 37.4° | 59.2° |
| H52N | C5D | C4D | O4D | 50.1° | 58.5° |
| H52N | C5D | C4D | C3D | 166.9° | 56.9° |
| H52N | C5D | C4D | H4D | 72.1° | 179.2° |
| O4D | C4D | C3D | H4D | 122.2° | 118.9° |
| O4D | C4D | C3D | O3D | 152.2° | 142.8° |
| O4D | C4D | C3D | C2D | 38.4° | 24.1° |
| O4D | C4D | C3D | H3D | 87.1° | 94.6° |
| C4D | O4D | C1D | C2D | 3.1° | 40.5° |
| C4D | O4D | C1D | C2N | 128.1° | 159.4° |
| C4D | O4D | C1D | H1D | 113.4° | 78.4° |
| C3D | C4D | O4D | C1D | 26.4° | 40.5° |
| C4D | C3D | O3D | C2D | 109.3° | 114.7° |
| C4D | C3D | O3D | H3D | 124.4° | 122.6° |
| C4D | C3D | C2D | H3D | 123.1° | 118.7° |
| C4D | C3D | O3D | HO3N | 180.0° | 180.0° |
| C4D | C3D | C2D | O2D | 84.2° | 118.8° |
| C4D | C3D | C2D | C1D | 35.1° | 0.1° |
| C4D | C3D | C2D | H2D | 157.0° | 118.7° |
| H4D | C4D | O4D | C1D | 94.4° | 78.3° |
| H4D | C4D | C3D | O3D | 30.0° | 23.9° |
| H4D | C4D | C3D | C2D | 83.8° | 94.8° |
| H4D | C4D | C3D | H3D | 150.8° | 146.5° |
| O4D | C1D | C2D | C3D | 21.0° | 23.9° |
| O4D | C1D | C2D | O2D | 96.9° | 142.6° |
| O4D | C1D | C2D | C2N | 115.4° | 118.9° |
| O4D | C1D | C2D | H1D | 125.9° | 118.9° |
| O4D | C1D | C2D | H2D | 144.3° | 94.7° |
| O4D | C1D | C2N | H1D | 125.8° | 122.3° |
| O4D | C1D | C2N | N3N | 145.8° | 122.7° |
| O4D | C1D | C2N | SE1N | 32.9° | 57.0° |
| O3D | C3D | C2D | H3D | 120.3° | 122.6° |
| O3D | C3D | C2D | O2D | 32.4° | 0.1° |
| O3D | C3D | C2D | C1D | 151.7° | 118.8° |
| O3D | C3D | C2D | H2D | 86.3° | 122.7° |
| C2D | C3D | O3D | HO3N | 70.7° | 65.3° |
| C3D | C2D | O2D | C1D | 113.8° | 114.7° |
| C3D | C2D | O2D | H2D | 123.7° | 122.6° |
| C3D | C2D | C1D | H2D | 123.3° | 118.6° |
| C3D | C2D | O2D | HO2N | 180.0° | 180.0° |
| C3D | C2D | C1D | C2N | 94.4° | 142.8° |
| C3D | C2D | C1D | H1D | 146.9° | 95.0° |
| H3D | C3D | O3D | HO3N | 55.6° | 57.3° |
| H3D | C3D | C2D | O2D | 152.7° | 122.5° |
| H3D | C3D | C2D | C1D | 88.0° | 118.5° |
| H3D | C3D | C2D | H2D | 34.0° | 0.0° |
| O2D | C2D | C1D | H2D | 118.8° | 122.7° |
| O2D | C2D | C1D | C2N | 147.7° | 98.5° |
| O2D | C2D | C1D | H1D | 29.0° | 23.7° |
| C1D | C2D | O2D | HO2N | 66.2° | 65.4° |
| C2D | C1D | C2N | H1D | 116.6° | 122.2° |
| C2D | C1D | C2N | N3N | 28.2° | 121.8° |
| C2D | C1D | C2N | SE1N | 150.4° | 58.5° |
| H2D | C2D | O2D | HO2N | 56.3° | 57.3° |
| H2D | C2D | C1D | C2N | 28.9° | 24.2° |
| H2D | C2D | C1D | H1D | 89.8° | 146.4° |
| C1D | C2N | N3N | SE1N | 178.7° | 179.8° |
| C1D | C2N | N3N | C4N | 178.4° | 179.8° |
| C1D | C2N | SE1N | C5N | 178.9° | 180.0° |
| H1D | C1D | C2N | N3N | 88.4° | 0.4° |
| H1D | C1D | C2N | SE1N | 93.0° | 179.3° |
| C2N | N3N | C4N | C5N | 0.8° | 0.5° |
| C2N | N3N | C4N | C6N | 178.9° | 179.7° |
| N3N | C2N | SE1N | C5N | 0.3° | 0.2° |
| SE1N | C2N | N3N | C4N | 0.3° | 0.4° |
| C2N | SE1N | C5N | C4N | 0.7° | 0.0° |
| C2N | SE1N | C5N | HN5 | 179.3° | 180.0° |
| N3N | C4N | C5N | C6N | 179.7° | 179.8° |
| N3N | C4N | C5N | SE1N | 1.1° | 0.2° |
| N3N | C4N | C5N | HN5 | 178.9° | 179.8° |
| N3N | C4N | C6N | O6N | 150.0° | 0.2° |
| N3N | C4N | C6N | N6N | 30.1° | 179.8° |
| C4N | C5N | SE1N | HN5 | 180.0° | 180.0° |
| C5N | C4N | C6N | O6N | 29.8° | 180.0° |
| C5N | C4N | C6N | N6N | 150.2° | 0.0° |
| C6N | C4N | C5N | SE1N | 178.7° | 180.0° |
| C6N | C4N | C5N | HN5 | 1.3° | 0.0° |
| C4N | C6N | O6N | N6N | 179.9° | 180.0° |
| C4N | C6N | N6N | H61N | 0.0° | 180.0° |
| C4N | C6N | N6N | H62N | 180.0° | 0.3° |
| O6N | C6N | N6N | H61N | 180.0° | 0.0° |
| O6N | C6N | N6N | H62N | 0.0° | 179.7° |
| C6N | N6N | H61N | H62N | 180.0° | 179.7° |
