TAD
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 | 1.59Å | |
| PA | C3 | sing | 1.82Å | 1.79Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.44Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C5B | H51A | sing | 1.09Å | 1.11Å | |
| C5B | H52A | sing | 1.09Å | 1.12Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.45Å | |
| C3B | O3B | sing | 1.43Å | 1.44Å | |
| C3B | C2B | sing | 1.55Å | 1.51Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| C2B | C1B | sing | 1.55Å | 1.52Å | |
| C2B | H2B | sing | 1.09Å | 1.12Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.49Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| N9A | C8A | sing | 1.36Å | 1.34Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.33Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.34Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.32Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.39Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.38Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| N6A | H61A | sing | 0.97Å | 1.02Å | |
| N6A | H62A | sing | 0.97Å | 1.02Å | |
| N1A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | PN | sing | 1.82Å | 1.79Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| PN | O1N | doub | 1.48Å | 1.48Å | |
| PN | O2N | sing | 1.61Å | 1.48Å | |
| PN | O5D | sing | 1.61Å | 1.59Å | |
| O2N | HON2 | sing | 0.97Å | 0.95Å | |
| O5D | C5D | sing | 1.43Å | 1.44Å | |
| C5D | C4D | sing | 1.53Å | 1.52Å | |
| C5D | H51N | sing | 1.09Å | 1.12Å | |
| C5D | H52N | sing | 1.09Å | 1.11Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | C3D | sing | 1.54Å | 1.51Å | |
| C4D | H4D | sing | 1.09Å | 1.11Å | |
| O4D | C1D | sing | 1.44Å | 1.44Å | |
| 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 | 1.43Å | |
| C2D | C1D | sing | 1.55Å | 1.52Å | |
| C2D | H2D | sing | 1.09Å | 1.12Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | C2N | sing | 1.51Å | 1.49Å | |
| C1D | H1D | sing | 1.09Å | 1.12Å | |
| C2N | N3N | doub | 1.31Å | 1.33Å | Aromatic |
| C2N | S1N | sing | 1.73Å | 1.73Å | Aromatic |
| N3N | C4N | sing | 1.33Å | 1.33Å | Aromatic |
| C4N | C5N | doub | 1.37Å | 1.34Å | Aromatic |
| C4N | C6N | sing | 1.47Å | 1.48Å | |
| C5N | S1N | sing | 1.73Å | 1.71Å | Aromatic |
| C5N | H5N | 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 | 118.8° | 109.5° |
| O1A | PA | O5B | 108.2° | 109.5° |
| O1A | PA | C3 | 110.0° | 109.5° |
| O2A | PA | O5B | 109.0° | 109.5° |
| O2A | PA | C3 | 107.1° | 109.5° |
| PA | O2A | HOA2 | 118.8° | 106.8° |
| O5B | PA | C3 | 102.4° | 109.5° |
| PA | O5B | C5B | 121.9° | 106.8° |
| PA | C3 | PN | 116.4° | 109.4° |
| PA | C3 | H31 | 109.7° | 109.5° |
| PA | C3 | H32 | 109.7° | 109.5° |
| O5B | C5B | C4B | 109.2° | 109.5° |
| O5B | C5B | H51A | 112.3° | 109.4° |
| O5B | C5B | H52A | 112.3° | 109.5° |
| C4B | C5B | H51A | 112.3° | 109.4° |
| C4B | C5B | H52A | 112.3° | 109.5° |
| C5B | C4B | O4B | 109.8° | 109.9° |
| C5B | C4B | C3B | 111.3° | 109.9° |
| C5B | C4B | H4B | 106.8° | 109.8° |
| H51A | C5B | H52A | 98.1° | 109.5° |
| O4B | C4B | C3B | 105.0° | 107.4° |
| O4B | C4B | H4B | 112.8° | 109.9° |
| C4B | O4B | C1B | 108.4° | 107.0° |
| C3B | C4B | H4B | 111.3° | 109.9° |
| C4B | C3B | O3B | 112.7° | 110.8° |
| C4B | C3B | C2B | 101.4° | 104.0° |
| C4B | C3B | H3B | 113.0° | 110.5° |
| O4B | C1B | C2B | 104.1° | 103.5° |
| O4B | C1B | N9A | 112.7° | 110.6° |
| O4B | C1B | H1B | 113.8° | 110.6° |
| O3B | C3B | C2B | 110.2° | 110.5° |
| O3B | C3B | H3B | 104.6° | 110.5° |
| C3B | O3B | HO3A | 112.7° | 106.9° |
| C2B | C3B | H3B | 115.3° | 110.5° |
| C3B | C2B | O2B | 106.7° | 110.9° |
| C3B | C2B | C1B | 98.5° | 102.1° |
| C3B | C2B | H2B | 121.4° | 111.0° |
| O2B | C2B | C1B | 118.5° | 110.9° |
| O2B | C2B | H2B | 102.5° | 110.8° |
| C2B | O2B | HO2A | 106.8° | 106.8° |
| C1B | C2B | H2B | 110.3° | 110.9° |
| C2B | C1B | N9A | 116.5° | 110.8° |
| C2B | C1B | H1B | 109.7° | 110.6° |
| N9A | C1B | H1B | 100.4° | 110.6° |
| C1B | N9A | C8A | 123.0° | 126.3° |
| C1B | N9A | C4A | 129.1° | 126.3° |
| C8A | N9A | C4A | 107.5° | 107.4° |
| N9A | C8A | N7A | 112.4° | 110.0° |
| N9A | C8A | H8A | 124.0° | 125.0° |
| N9A | C4A | C5A | 104.2° | 106.0° |
| N9A | C4A | N3A | 138.6° | 134.9° |
| N7A | C8A | H8A | 123.7° | 125.0° |
| C8A | N7A | C5A | 102.8° | 109.5° |
| N7A | C5A | C6A | 123.8° | 134.7° |
| N7A | C5A | C4A | 113.1° | 107.1° |
| C6A | C5A | C4A | 123.1° | 118.2° |
| C5A | C6A | N6A | 121.3° | 120.8° |
| C5A | C6A | N1A | 115.9° | 118.5° |
| C5A | C4A | N3A | 117.2° | 119.1° |
| N6A | C6A | N1A | 122.8° | 120.7° |
| C6A | N6A | H61A | 121.3° | 120.0° |
| C6A | N6A | H62A | 108.0° | 120.0° |
| C6A | N1A | C2A | 121.3° | 121.2° |
| H61A | N6A | H62A | 108.0° | 120.0° |
| N1A | C2A | N3A | 122.1° | 122.5° |
| N1A | C2A | H2A | 119.1° | 118.7° |
| N3A | C2A | H2A | 118.8° | 118.8° |
| C2A | N3A | C4A | 120.3° | 120.6° |
| PN | C3 | H31 | 109.7° | 109.5° |
| PN | C3 | H32 | 109.7° | 109.4° |
| C3 | PN | O1N | 109.3° | 109.5° |
| C3 | PN | O2N | 108.8° | 109.4° |
| C3 | PN | O5D | 102.7° | 109.4° |
| H31 | C3 | H32 | 100.4° | 109.5° |
| O1N | PN | O2N | 119.2° | 109.5° |
| O1N | PN | O5D | 107.5° | 109.5° |
| O2N | PN | O5D | 108.1° | 109.5° |
| PN | O2N | HON2 | 108.8° | 106.8° |
| PN | O5D | C5D | 120.6° | 106.8° |
| O5D | C5D | C4D | 110.0° | 109.5° |
| O5D | C5D | H51N | 112.0° | 109.5° |
| O5D | C5D | H52N | 112.0° | 109.4° |
| C4D | C5D | H51N | 112.0° | 109.5° |
| C4D | C5D | H52N | 112.0° | 109.4° |
| C5D | C4D | O4D | 110.9° | 110.4° |
| C5D | C4D | C3D | 109.9° | 110.5° |
| C5D | C4D | H4D | 106.6° | 110.3° |
| H51N | C5D | H52N | 98.4° | 109.5° |
| O4D | C4D | C3D | 104.1° | 104.8° |
| O4D | C4D | H4D | 112.2° | 110.3° |
| C4D | O4D | C1D | 106.3° | 105.3° |
| C3D | C4D | H4D | 113.2° | 110.4° |
| C4D | C3D | O3D | 115.0° | 110.5° |
| C4D | C3D | C2D | 102.7° | 104.1° |
| C4D | C3D | H3D | 110.8° | 110.5° |
| O4D | C1D | C2D | 106.5° | 104.9° |
| O4D | C1D | C2N | 109.5° | 110.4° |
| O4D | C1D | H1D | 115.0° | 110.4° |
| O3D | C3D | C2D | 110.4° | 110.6° |
| O3D | C3D | H3D | 103.2° | 110.5° |
| C3D | O3D | HO3N | 115.0° | 106.8° |
| C2D | C3D | H3D | 115.3° | 110.6° |
| C3D | C2D | O2D | 112.3° | 110.5° |
| C3D | C2D | C1D | 105.0° | 104.0° |
| C3D | C2D | H2D | 112.0° | 110.5° |
| O2D | C2D | C1D | 113.3° | 110.8° |
| O2D | C2D | H2D | 103.5° | 110.4° |
| C2D | O2D | HO2N | 112.2° | 106.8° |
| C1D | C2D | H2D | 110.9° | 110.4° |
| C2D | C1D | C2N | 118.2° | 110.4° |
| C2D | C1D | H1D | 105.6° | 110.3° |
| C2N | C1D | H1D | 102.3° | 110.4° |
| C1D | C2N | N3N | 123.1° | 128.6° |
| C1D | C2N | S1N | 120.8° | 128.7° |
| N3N | C2N | S1N | 115.9° | 102.8° |
| C2N | N3N | C4N | 108.8° | 119.9° |
| C2N | S1N | C5N | 86.7° | 98.2° |
| N3N | C4N | C5N | 116.5° | 117.5° |
| N3N | C4N | C6N | 117.9° | 121.2° |
| C5N | C4N | C6N | 125.6° | 121.2° |
| C4N | C5N | S1N | 111.6° | 101.5° |
| C4N | C5N | H5N | 114.1° | 129.2° |
| C4N | C6N | O6N | 124.8° | 120.0° |
| C4N | C6N | N6N | 111.5° | 120.0° |
| S1N | C5N | H5N | 134.3° | 129.2° |
| O6N | C6N | N6N | 123.7° | 120.0° |
| C6N | N6N | H61N | 123.7° | 120.0° |
| C6N | N6N | H62N | 111.5° | 120.0° |
| H61N | N6N | H62N | 124.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 124.6° | 120.0° |
| O1A | PA | O2A | C3 | 125.3° | 120.0° |
| O1A | PA | O5B | C3 | 116.2° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5B | C5B | 88.7° | 60.0° |
| O1A | PA | C3 | PN | 21.1° | 60.0° |
| O1A | PA | C3 | H31 | 146.4° | 180.0° |
| O1A | PA | C3 | H32 | 104.2° | 60.0° |
| O2A | PA | O5B | C3 | 113.2° | 120.0° |
| O2A | PA | O5B | C5B | 41.9° | 60.0° |
| O2A | PA | C3 | PN | 151.5° | 60.0° |
| O2A | PA | C3 | H31 | 83.2° | 60.0° |
| O2A | PA | C3 | H32 | 26.2° | 179.9° |
| O5B | PA | O2A | HOA2 | 55.4° | 60.0° |
| PA | O5B | C5B | C4B | 172.4° | 180.0° |
| PA | O5B | C5B | H51A | 47.1° | 60.1° |
| PA | O5B | C5B | H52A | 62.4° | 60.0° |
| O5B | PA | C3 | PN | 93.9° | 180.0° |
| O5B | PA | C3 | H31 | 31.4° | 60.0° |
| O5B | PA | C3 | H32 | 140.8° | 60.0° |
| C3 | PA | O2A | HOA2 | 54.8° | 60.0° |
| C3 | PA | O5B | C5B | 155.1° | 180.0° |
| PA | C3 | PN | H31 | 125.3° | 120.0° |
| PA | C3 | PN | H32 | 125.3° | 119.9° |
| PA | C3 | H31 | H32 | 115.4° | 120.0° |
| PA | C3 | PN | O1N | 54.0° | 60.0° |
| PA | C3 | PN | O2N | 77.6° | 60.0° |
| PA | C3 | PN | O5D | 168.0° | 180.0° |
| O5B | C5B | C4B | H51A | 125.3° | 119.9° |
| O5B | C5B | C4B | H52A | 125.2° | 120.1° |
| O5B | C5B | H51A | H52A | 118.2° | 120.1° |
| O5B | C5B | C4B | O4B | 176.1° | 61.7° |
| O5B | C5B | C4B | C3B | 68.1° | 179.7° |
| O5B | C5B | C4B | H4B | 53.6° | 59.3° |
| C4B | C5B | H51A | H52A | 118.2° | 120.0° |
| C5B | C4B | O4B | C3B | 119.7° | 119.5° |
| C5B | C4B | O4B | H4B | 118.9° | 121.0° |
| C5B | C4B | C3B | H4B | 118.9° | 121.0° |
| C5B | C4B | O4B | C1B | 113.5° | 145.9° |
| C5B | C4B | C3B | O3B | 156.7° | 119.9° |
| C5B | C4B | C3B | C2B | 85.5° | 121.4° |
| C5B | C4B | C3B | H3B | 38.4° | 2.9° |
| H51A | C5B | C4B | O4B | 50.8° | 58.3° |
| H51A | C5B | C4B | C3B | 166.6° | 59.7° |
| H51A | C5B | C4B | H4B | 71.7° | 179.3° |
| H52A | C5B | C4B | O4B | 58.6° | 178.3° |
| H52A | C5B | C4B | C3B | 57.2° | 60.3° |
| H52A | C5B | C4B | H4B | 178.8° | 60.7° |
| O4B | C4B | C3B | H4B | 122.3° | 119.5° |
| O4B | C4B | C3B | O3B | 84.6° | 120.6° |
| O4B | C4B | C3B | C2B | 33.2° | 1.9° |
| O4B | C4B | C3B | H3B | 157.1° | 116.6° |
| C4B | O4B | C1B | C2B | 23.2° | 40.0° |
| C4B | O4B | C1B | N9A | 150.4° | 158.7° |
| C4B | O4B | C1B | H1B | 96.1° | 78.4° |
| C3B | C4B | O4B | C1B | 6.2° | 26.4° |
| C4B | C3B | O3B | C2B | 112.4° | 114.7° |
| C4B | C3B | O3B | H3B | 123.1° | 122.7° |
| C4B | C3B | C2B | H3B | 122.4° | 118.5° |
| C4B | C3B | O3B | HO3A | 180.0° | 176.2° |
| C4B | C3B | C2B | O2B | 168.8° | 139.1° |
| C4B | C3B | C2B | C1B | 45.5° | 21.0° |
| C4B | C3B | C2B | H2B | 74.6° | 97.2° |
| H4B | C4B | O4B | C1B | 127.6° | 93.1° |
| H4B | C4B | C3B | O3B | 37.7° | 1.1° |
| H4B | C4B | C3B | C2B | 155.5° | 117.6° |
| H4B | C4B | C3B | H3B | 80.5° | 123.9° |
| O4B | C1B | C2B | C3B | 42.7° | 37.1° |
| O4B | C1B | C2B | O2B | 157.1° | 155.2° |
| O4B | C1B | C2B | N9A | 124.8° | 118.6° |
| O4B | C1B | C2B | H1B | 122.1° | 118.4° |
| O4B | C1B | C2B | H2B | 85.4° | 81.2° |
| O4B | C1B | N9A | H1B | 121.4° | 122.9° |
| O4B | C1B | N9A | C8A | 91.6° | 28.6° |
| O4B | C1B | N9A | C4A | 95.7° | 151.7° |
| O3B | C3B | C2B | H3B | 118.1° | 122.5° |
| O3B | C3B | C2B | O2B | 49.2° | 20.2° |
| O3B | C3B | C2B | C1B | 74.1° | 97.9° |
| O3B | C3B | C2B | H2B | 165.8° | 143.8° |
| C2B | C3B | O3B | HO3A | 67.6° | 61.5° |
| C3B | C2B | O2B | C1B | 109.8° | 112.7° |
| C3B | C2B | O2B | H2B | 128.6° | 123.7° |
| C3B | C2B | C1B | H2B | 128.1° | 118.3° |
| C3B | C2B | O2B | HO2A | 180.0° | 67.3° |
| C3B | C2B | C1B | N9A | 167.5° | 155.7° |
| C3B | C2B | C1B | H1B | 79.4° | 81.4° |
| H3B | C3B | O3B | HO3A | 56.9° | 61.1° |
| H3B | C3B | C2B | O2B | 68.9° | 102.3° |
| H3B | C3B | C2B | C1B | 167.9° | 139.5° |
| H3B | C3B | C2B | H2B | 47.7° | 21.3° |
| O2B | C2B | C1B | H2B | 117.5° | 123.6° |
| O2B | C2B | C1B | N9A | 78.2° | 86.2° |
| O2B | C2B | C1B | H1B | 35.0° | 36.8° |
| C1B | C2B | O2B | HO2A | 70.2° | 180.0° |
| C2B | C1B | N9A | H1B | 118.4° | 123.0° |
| C2B | C1B | N9A | C8A | 148.2° | 85.6° |
| C2B | C1B | N9A | C4A | 24.6° | 94.1° |
| H2B | C2B | O2B | HO2A | 51.4° | 56.4° |
| H2B | C2B | C1B | N9A | 39.4° | 37.4° |
| H2B | C2B | C1B | H1B | 152.5° | 160.4° |
| C1B | N9A | C8A | C4A | 174.1° | 179.8° |
| C1B | N9A | C8A | N7A | 172.6° | 180.0° |
| C1B | N9A | C8A | H8A | 7.3° | 0.0° |
| C1B | N9A | C4A | C5A | 172.4° | 179.9° |
| C1B | N9A | C4A | N3A | 6.5° | 0.8° |
| H1B | C1B | N9A | C8A | 29.8° | 151.4° |
| H1B | C1B | N9A | C4A | 142.9° | 28.8° |
| N9A | C8A | N7A | H8A | 179.9° | 180.0° |
| N9A | C8A | N7A | C5A | 1.0° | 0.0° |
| C8A | N9A | C4A | C5A | 1.2° | 0.4° |
| C8A | N9A | C4A | N3A | 179.9° | 179.5° |
| C4A | N9A | C8A | N7A | 1.4° | 0.2° |
| C4A | N9A | C8A | H8A | 178.6° | 179.8° |
| N9A | C4A | C5A | N7A | 0.6° | 0.4° |
| N9A | C4A | C5A | C6A | 178.1° | 179.8° |
| N9A | C4A | C5A | N3A | 179.2° | 179.3° |
| N9A | C4A | N3A | C2A | 178.6° | 179.6° |
| C8A | N7A | C5A | C6A | 178.9° | 180.0° |
| C8A | N7A | C5A | C4A | 0.2° | 0.2° |
| H8A | C8A | N7A | C5A | 179.1° | 180.0° |
| N7A | C5A | C6A | C4A | 178.6° | 179.7° |
| N7A | C5A | C6A | N6A | 1.4° | 0.0° |
| N7A | C5A | C6A | N1A | 179.4° | 180.0° |
| N7A | C5A | C4A | N3A | 179.8° | 179.7° |
| C5A | C6A | N6A | N1A | 179.1° | 180.0° |
| C5A | C6A | N6A | H61A | 180.0° | 180.0° |
| C5A | C6A | N6A | H62A | 54.7° | 0.0° |
| C5A | C6A | N1A | C2A | 0.4° | 0.0° |
| C6A | C5A | C4A | N3A | 1.1° | 0.5° |
| C4A | C5A | C6A | N6A | 180.0° | 179.7° |
| C4A | C5A | C6A | N1A | 0.8° | 0.2° |
| C5A | C4A | N3A | C2A | 0.3° | 0.5° |
| C6A | N6A | H61A | H62A | 125.3° | 180.0° |
| N6A | C6A | N1A | C2A | 178.8° | 180.0° |
| N1A | C6A | N6A | H61A | 0.9° | 0.1° |
| N1A | C6A | N6A | H62A | 124.4° | 179.9° |
| C6A | N1A | C2A | N3A | 1.2° | 0.0° |
| C6A | N1A | C2A | H2A | 178.8° | 180.0° |
| N1A | C2A | N3A | H2A | 179.9° | 180.0° |
| N1A | C2A | N3A | C4A | 0.9° | 0.3° |
| H2A | C2A | N3A | C4A | 179.2° | 179.7° |
| PN | C3 | H31 | H32 | 115.5° | 120.0° |
| C3 | PN | O1N | O2N | 125.9° | 120.0° |
| C3 | PN | O1N | O5D | 110.8° | 120.0° |
| C3 | PN | O2N | O5D | 110.8° | 120.0° |
| C3 | PN | O2N | HON2 | 180.0° | 60.0° |
| C3 | PN | O5D | C5D | 74.5° | 180.0° |
| H31 | C3 | PN | O1N | 71.3° | 180.0° |
| H31 | C3 | PN | O2N | 157.1° | 60.0° |
| H31 | C3 | PN | O5D | 42.7° | 60.0° |
| H32 | C3 | PN | O1N | 179.3° | 59.9° |
| H32 | C3 | PN | O2N | 47.6° | 180.0° |
| H32 | C3 | PN | O5D | 66.8° | 60.0° |
| O1N | PN | O2N | O5D | 123.1° | 120.0° |
| O1N | PN | O2N | HON2 | 53.9° | 180.0° |
| O1N | PN | O5D | C5D | 170.3° | 60.0° |
| O2N | PN | O5D | C5D | 40.4° | 60.0° |
| O5D | PN | O2N | HON2 | 69.2° | 59.9° |
| PN | O5D | C5D | C4D | 174.8° | 180.0° |
| PN | O5D | C5D | H51N | 60.0° | 60.0° |
| PN | O5D | C5D | H52N | 49.5° | 60.0° |
| O5D | C5D | C4D | H51N | 125.3° | 120.0° |
| O5D | C5D | C4D | H52N | 125.3° | 119.9° |
| O5D | C5D | H51N | H52N | 118.0° | 120.0° |
| O5D | C5D | C4D | O4D | 51.2° | 61.4° |
| O5D | C5D | C4D | C3D | 165.7° | 176.9° |
| O5D | C5D | C4D | H4D | 71.3° | 60.8° |
| C4D | C5D | H51N | H52N | 117.9° | 120.0° |
| C5D | C4D | O4D | C3D | 118.1° | 119.0° |
| C5D | C4D | O4D | H4D | 119.1° | 122.1° |
| C5D | C4D | C3D | H4D | 119.1° | 122.3° |
| C5D | C4D | O4D | C1D | 157.5° | 159.5° |
| C5D | C4D | C3D | O3D | 84.4° | 98.3° |
| C5D | C4D | C3D | C2D | 155.7° | 143.0° |
| C5D | C4D | C3D | H3D | 32.1° | 24.3° |
| H51N | C5D | C4D | O4D | 74.1° | 178.6° |
| H51N | C5D | C4D | C3D | 40.4° | 63.1° |
| H51N | C5D | C4D | H4D | 163.5° | 59.3° |
| H52N | C5D | C4D | O4D | 176.4° | 58.5° |
| H52N | C5D | C4D | C3D | 69.0° | 56.9° |
| H52N | C5D | C4D | H4D | 54.0° | 179.3° |
| O4D | C4D | C3D | H4D | 122.0° | 118.8° |
| O4D | C4D | C3D | O3D | 156.7° | 142.8° |
| O4D | C4D | C3D | C2D | 36.8° | 24.0° |
| O4D | C4D | C3D | H3D | 86.8° | 94.7° |
| C4D | O4D | C1D | C2D | 25.7° | 40.4° |
| C4D | O4D | C1D | C2N | 154.6° | 159.3° |
| C4D | O4D | C1D | H1D | 91.0° | 78.4° |
| C3D | C4D | O4D | C1D | 39.4° | 40.5° |
| C4D | C3D | O3D | C2D | 115.5° | 114.7° |
| C4D | C3D | O3D | H3D | 120.7° | 122.5° |
| C4D | C3D | C2D | H3D | 120.6° | 118.6° |
| C4D | C3D | O3D | HO3N | 180.0° | 180.0° |
| C4D | C3D | C2D | O2D | 102.6° | 118.8° |
| C4D | C3D | C2D | C1D | 20.9° | 0.1° |
| C4D | C3D | C2D | H2D | 141.4° | 118.6° |
| H4D | C4D | O4D | C1D | 83.3° | 78.3° |
| H4D | C4D | C3D | O3D | 34.7° | 24.0° |
| H4D | C4D | C3D | C2D | 85.2° | 94.8° |
| H4D | C4D | C3D | H3D | 151.2° | 146.5° |
| O4D | C1D | C2D | C3D | 1.9° | 23.9° |
| O4D | C1D | C2D | O2D | 124.8° | 142.6° |
| O4D | C1D | C2D | C2N | 123.6° | 118.9° |
| O4D | C1D | C2D | H1D | 122.7° | 118.8° |
| O4D | C1D | C2D | H2D | 119.3° | 94.7° |
| O4D | C1D | C2N | H1D | 122.4° | 122.3° |
| O4D | C1D | C2N | N3N | 21.8° | 122.7° |
| O4D | C1D | C2N | S1N | 153.1° | 57.0° |
| O3D | C3D | C2D | H3D | 116.4° | 122.7° |
| O3D | C3D | C2D | O2D | 20.4° | 0.1° |
| O3D | C3D | C2D | C1D | 143.9° | 118.8° |
| O3D | C3D | C2D | H2D | 95.6° | 122.7° |
| C2D | C3D | O3D | HO3N | 64.4° | 65.3° |
| C3D | C2D | O2D | C1D | 118.7° | 114.7° |
| C3D | C2D | O2D | H2D | 121.0° | 122.6° |
| C3D | C2D | C1D | H2D | 121.2° | 118.6° |
| C3D | C2D | O2D | HO2N | 180.0° | 180.0° |
| C3D | C2D | C1D | C2N | 125.6° | 142.7° |
| C3D | C2D | C1D | H1D | 120.8° | 95.0° |
| H3D | C3D | O3D | HO3N | 59.3° | 57.4° |
| H3D | C3D | C2D | O2D | 136.8° | 122.6° |
| H3D | C3D | C2D | C1D | 99.7° | 118.5° |
| H3D | C3D | C2D | H2D | 20.8° | 0.0° |
| O2D | C2D | C1D | H2D | 115.9° | 122.7° |
| O2D | C2D | C1D | C2N | 111.6° | 98.5° |
| O2D | C2D | C1D | H1D | 2.1° | 23.8° |
| C1D | C2D | O2D | HO2N | 61.3° | 65.3° |
| C2D | C1D | C2N | H1D | 115.5° | 122.3° |
| C2D | C1D | C2N | N3N | 143.9° | 121.8° |
| C2D | C1D | C2N | S1N | 31.0° | 58.4° |
| H2D | C2D | O2D | HO2N | 59.0° | 57.4° |
| H2D | C2D | C1D | C2N | 4.4° | 24.1° |
| H2D | C2D | C1D | H1D | 118.0° | 146.4° |
| C1D | C2N | N3N | S1N | 175.1° | 179.8° |
| C1D | C2N | N3N | C4N | 179.6° | 179.8° |
| C1D | C2N | S1N | C5N | 178.3° | 180.0° |
| H1D | C1D | C2N | N3N | 100.7° | 0.4° |
| H1D | C1D | C2N | S1N | 84.4° | 179.3° |
| C2N | N3N | C4N | C5N | 0.5° | 0.5° |
| C2N | N3N | C4N | C6N | 178.6° | 179.8° |
| N3N | C2N | S1N | C5N | 6.5° | 0.2° |
| S1N | C2N | N3N | C4N | 5.3° | 0.4° |
| C2N | S1N | C5N | C4N | 5.7° | 0.0° |
| C2N | S1N | C5N | H5N | 174.2° | 180.0° |
| N3N | C4N | C5N | C6N | 179.1° | 179.7° |
| N3N | C4N | C5N | S1N | 4.3° | 0.2° |
| N3N | C4N | C5N | H5N | 175.7° | 179.8° |
| N3N | C4N | C6N | O6N | 170.4° | 179.8° |
| N3N | C4N | C6N | N6N | 9.3° | 0.3° |
| C4N | C5N | S1N | H5N | 180.0° | 180.0° |
| C5N | C4N | C6N | O6N | 10.5° | 0.1° |
| C5N | C4N | C6N | N6N | 169.8° | 180.0° |
| C6N | C4N | C5N | S1N | 176.6° | 179.9° |
| C6N | C4N | C5N | H5N | 3.4° | 0.1° |
| C4N | C6N | O6N | N6N | 179.6° | 179.9° |
| C4N | C6N | N6N | H61N | 0.3° | 180.0° |
| C4N | C6N | N6N | H62N | 180.0° | 0.2° |
| O6N | C6N | N6N | H61N | 180.0° | 0.1° |
| O6N | C6N | N6N | H62N | 0.3° | 179.7° |
| C6N | N6N | H61N | H62N | 179.7° | 179.7° |
