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 | 1.46Å | |
| PA | O5B | sing | 1.61Å | 1.61Å | |
| PA | O3 | sing | 1.61Å | 1.51Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.40Å | |
| 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 | 1.46Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.43Å | |
| C3B | O3B | sing | 1.43Å | 1.44Å | |
| C3B | C2B | sing | 1.55Å | 1.54Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| C2B | C1B | sing | 1.55Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.12Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.47Å | 1.44Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.39Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.39Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.32Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.40Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.41Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.39Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| C6A | N1A | doub | 1.33Å | 1.36Å | 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 | 1.33Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.48Å | |
| PN | O1N | doub | 1.55Å | 1.46Å | |
| PN | O2N | sing | 1.54Å | 1.46Å | |
| PN | O5D | sing | 1.61Å | 1.57Å | |
| O5D | C5D | sing | 1.43Å | 1.46Å | |
| C5D | C4D | sing | 1.53Å | 1.53Å | |
| C5D | H51N | sing | 1.09Å | 1.12Å | |
| C5D | H52N | sing | 1.09Å | 1.11Å | |
| C4D | O4D | sing | 1.44Å | 1.46Å | |
| C4D | C3D | sing | 1.54Å | 1.53Å | |
| C4D | H4D | sing | 1.09Å | 1.12Å | |
| O4D | C1D | sing | 1.44Å | 1.45Å | |
| C3D | O3D | sing | 1.43Å | 1.47Å | |
| 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 | 1.42Å | |
| C2D | C1D | sing | 1.55Å | 1.53Å | |
| C2D | H2D | sing | 1.09Å | 1.12Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.47Å | 1.48Å | |
| C1D | H1D | sing | 1.09Å | 1.11Å | |
| N1N | C2N | sing | 1.32Å | 1.33Å | Aromatic |
| N1N | C6N | doub | 1.32Å | 1.37Å | Aromatic |
| C2N | C3N | doub | 1.40Å | 1.33Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.10Å | |
| C3N | C7N | sing | 1.47Å | 1.42Å | |
| C3N | C4N | sing | 1.40Å | 1.36Å | Aromatic |
| C7N | O7N | doub | 1.21Å | 1.24Å | |
| C7N | C8N | sing | 1.51Å | 1.53Å | |
| C8N | H81N | sing | 1.09Å | 1.11Å | |
| C8N | H82N | sing | 1.09Å | 1.12Å | |
| C8N | H83N | sing | 1.09Å | 1.12Å | |
| C4N | C5N | doub | 1.38Å | 1.40Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.10Å | |
| C5N | C6N | sing | 1.38Å | 1.41Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.10Å | |
| C6N | H6N | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 108.4° | 109.5° |
| O1A | PA | O5B | 103.6° | 109.4° |
| O1A | PA | O3 | 123.8° | 109.5° |
| O2A | PA | O5B | 104.1° | 109.5° |
| O2A | PA | O3 | 107.7° | 109.5° |
| PA | O2A | HOA2 | 108.5° | 106.8° |
| O5B | PA | O3 | 107.5° | 109.5° |
| PA | O5B | C5B | 118.8° | 106.8° |
| PA | O3 | PN | 135.6° | 106.8° |
| O5B | C5B | C4B | 106.8° | 109.5° |
| O5B | C5B | H51A | 113.2° | 109.4° |
| O5B | C5B | H52A | 113.2° | 109.5° |
| C4B | C5B | H51A | 113.2° | 109.5° |
| C4B | C5B | H52A | 113.2° | 109.5° |
| C5B | C4B | O4B | 114.7° | 109.9° |
| C5B | C4B | C3B | 113.3° | 109.9° |
| C5B | C4B | H4B | 101.2° | 109.9° |
| H51A | C5B | H52A | 97.2° | 109.5° |
| O4B | C4B | C3B | 102.7° | 107.4° |
| O4B | C4B | H4B | 112.0° | 109.9° |
| C4B | O4B | C1B | 110.0° | 107.0° |
| C3B | C4B | H4B | 113.5° | 109.9° |
| C4B | C3B | O3B | 104.5° | 110.8° |
| C4B | C3B | C2B | 101.8° | 104.1° |
| C4B | C3B | H3B | 118.1° | 110.5° |
| O4B | C1B | C2B | 102.5° | 103.5° |
| O4B | C1B | N9A | 106.0° | 110.6° |
| O4B | C1B | H1B | 114.8° | 110.7° |
| O3B | C3B | C2B | 112.0° | 110.5° |
| O3B | C3B | H3B | 108.9° | 110.4° |
| C3B | O3B | HO3A | 104.5° | 106.8° |
| C2B | C3B | H3B | 111.2° | 110.5° |
| C3B | C2B | O2B | 119.3° | 110.9° |
| C3B | C2B | C1B | 97.0° | 102.1° |
| C3B | C2B | H2B | 110.8° | 111.0° |
| O2B | C2B | C1B | 106.7° | 110.9° |
| O2B | C2B | H2B | 101.7° | 110.8° |
| C2B | O2B | HO2A | 119.3° | 106.8° |
| C1B | C2B | H2B | 122.6° | 110.9° |
| C2B | C1B | N9A | 105.9° | 110.7° |
| C2B | C1B | H1B | 114.9° | 110.6° |
| N9A | C1B | H1B | 111.8° | 110.6° |
| C1B | N9A | C8A | 125.1° | 126.3° |
| C1B | N9A | C4A | 127.2° | 126.3° |
| C8A | N9A | C4A | 107.5° | 107.5° |
| N9A | C8A | N7A | 111.7° | 110.0° |
| N9A | C8A | H8A | 126.3° | 125.0° |
| N9A | C4A | C5A | 104.8° | 106.0° |
| N9A | C4A | N3A | 126.8° | 134.9° |
| N7A | C8A | H8A | 122.0° | 125.0° |
| C8A | N7A | C5A | 105.2° | 109.4° |
| N7A | C5A | C6A | 132.6° | 134.7° |
| N7A | C5A | C4A | 110.7° | 107.1° |
| C6A | C5A | C4A | 116.7° | 118.2° |
| C5A | C6A | N6A | 125.2° | 120.8° |
| C5A | C6A | N1A | 116.1° | 118.4° |
| C5A | C4A | N3A | 128.4° | 119.0° |
| N6A | C6A | N1A | 118.7° | 120.8° |
| C6A | N6A | H61A | 125.2° | 120.0° |
| C6A | N6A | H62A | 106.6° | 120.1° |
| C6A | N1A | C2A | 120.4° | 121.2° |
| H61A | N6A | H62A | 106.6° | 120.0° |
| N1A | C2A | N3A | 128.4° | 122.5° |
| N1A | C2A | H2A | 116.3° | 118.8° |
| N3A | C2A | H2A | 115.3° | 118.8° |
| C2A | N3A | C4A | 109.9° | 120.6° |
| O3 | PN | O1N | 85.5° | 109.5° |
| O3 | PN | O2N | 121.7° | 109.4° |
| O3 | PN | O5D | 108.3° | 109.5° |
| O1N | PN | O2N | 118.7° | 109.4° |
| O1N | PN | O5D | 110.0° | 109.4° |
| O2N | PN | O5D | 110.3° | 109.5° |
| PN | O5D | C5D | 109.0° | 106.8° |
| O5D | C5D | C4D | 111.8° | 109.5° |
| O5D | C5D | H51N | 111.4° | 109.5° |
| O5D | C5D | H52N | 111.3° | 109.5° |
| C4D | C5D | H51N | 111.4° | 109.5° |
| C4D | C5D | H52N | 111.4° | 109.4° |
| C5D | C4D | O4D | 113.0° | 110.4° |
| C5D | C4D | C3D | 110.9° | 110.4° |
| C5D | C4D | H4D | 104.9° | 110.3° |
| H51N | C5D | H52N | 99.0° | 109.5° |
| O4D | C4D | C3D | 105.7° | 104.8° |
| O4D | C4D | H4D | 110.2° | 110.4° |
| C4D | O4D | C1D | 109.4° | 105.3° |
| C3D | C4D | H4D | 112.3° | 110.4° |
| C4D | C3D | O3D | 119.0° | 110.5° |
| C4D | C3D | C2D | 101.0° | 104.1° |
| C4D | C3D | H3D | 109.9° | 110.5° |
| O4D | C1D | C2D | 104.5° | 104.9° |
| O4D | C1D | N1N | 112.4° | 110.4° |
| O4D | C1D | H1D | 110.8° | 110.4° |
| O3D | C3D | C2D | 111.8° | 110.5° |
| O3D | C3D | H3D | 98.6° | 110.5° |
| C3D | O3D | HO3N | 119.1° | 106.9° |
| C2D | C3D | H3D | 117.4° | 110.5° |
| C3D | C2D | O2D | 109.7° | 110.5° |
| C3D | C2D | C1D | 102.9° | 104.0° |
| C3D | C2D | H2D | 114.3° | 110.5° |
| O2D | C2D | C1D | 111.9° | 110.8° |
| O2D | C2D | H2D | 105.8° | 110.5° |
| C2D | O2D | HO2N | 109.7° | 106.8° |
| C1D | C2D | H2D | 112.4° | 110.5° |
| C2D | C1D | N1N | 109.2° | 110.3° |
| C2D | C1D | H1D | 113.8° | 110.4° |
| N1N | C1D | H1D | 106.2° | 110.4° |
| C1D | N1N | C2N | 117.9° | 119.0° |
| C1D | N1N | C6N | 123.3° | 119.0° |
| C2N | N1N | C6N | 118.8° | 121.9° |
| N1N | C2N | C3N | 130.2° | 120.6° |
| N1N | C2N | H2N | 115.1° | 119.7° |
| N1N | C6N | C5N | 116.9° | 121.1° |
| N1N | C6N | H6N | 120.0° | 119.4° |
| C3N | C2N | H2N | 114.7° | 119.7° |
| C2N | C3N | C7N | 123.0° | 120.6° |
| C2N | C3N | C4N | 110.0° | 118.8° |
| C7N | C3N | C4N | 127.0° | 120.6° |
| C3N | C7N | O7N | 118.6° | 120.0° |
| C3N | C7N | C8N | 120.8° | 120.0° |
| C3N | C4N | C5N | 126.9° | 118.3° |
| C3N | C4N | H4N | 114.9° | 120.9° |
| O7N | C7N | C8N | 120.3° | 120.0° |
| C7N | C8N | H81N | 120.8° | 109.5° |
| C7N | C8N | H82N | 108.1° | 109.5° |
| C7N | C8N | H83N | 108.1° | 109.5° |
| H81N | C8N | H82N | 108.2° | 109.4° |
| H81N | C8N | H83N | 108.2° | 109.5° |
| H82N | C8N | H83N | 101.7° | 109.5° |
| C5N | C4N | H4N | 118.2° | 120.8° |
| C4N | C5N | C6N | 117.0° | 119.3° |
| C4N | C5N | H5N | 121.1° | 120.3° |
| C6N | C5N | H5N | 121.9° | 120.3° |
| C5N | C6N | H6N | 123.1° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 109.8° | 120.0° |
| O1A | PA | O2A | O3 | 136.3° | 120.0° |
| O1A | PA | O5B | O3 | 132.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5B | C5B | 144.7° | 55.0° |
| O1A | PA | O3 | PN | 65.8° | 45.0° |
| O2A | PA | O5B | O3 | 114.1° | 120.0° |
| O2A | PA | O5B | C5B | 31.4° | 65.0° |
| O2A | PA | O3 | PN | 166.4° | 75.0° |
| O5B | PA | O2A | HOA2 | 70.2° | 60.0° |
| PA | O5B | C5B | C4B | 173.2° | 180.0° |
| PA | O5B | C5B | H51A | 61.5° | 60.0° |
| PA | O5B | C5B | H52A | 47.9° | 60.0° |
| O5B | PA | O3 | PN | 54.8° | 165.0° |
| O3 | PA | O2A | HOA2 | 43.7° | 60.0° |
| O3 | PA | O5B | C5B | 82.7° | 175.0° |
| PA | O3 | PN | O1N | 113.9° | 80.0° |
| PA | O3 | PN | O2N | 7.2° | 40.0° |
| PA | O3 | PN | O5D | 136.5° | 160.0° |
| O5B | C5B | C4B | H51A | 125.3° | 120.0° |
| O5B | C5B | C4B | H52A | 125.2° | 120.0° |
| O5B | C5B | H51A | H52A | 119.1° | 120.0° |
| O5B | C5B | C4B | O4B | 174.5° | 66.8° |
| O5B | C5B | C4B | C3B | 68.0° | 175.3° |
| O5B | C5B | C4B | H4B | 53.8° | 54.3° |
| C4B | C5B | H51A | H52A | 119.1° | 120.0° |
| C5B | C4B | O4B | C3B | 123.3° | 119.4° |
| C5B | C4B | O4B | H4B | 114.5° | 121.0° |
| C5B | C4B | C3B | H4B | 114.6° | 121.0° |
| C5B | C4B | O4B | C1B | 122.7° | 146.0° |
| C5B | C4B | C3B | O3B | 149.6° | 119.9° |
| C5B | C4B | C3B | C2B | 93.7° | 121.4° |
| C5B | C4B | C3B | H3B | 28.4° | 2.8° |
| H51A | C5B | C4B | O4B | 49.2° | 53.2° |
| H51A | C5B | C4B | C3B | 166.7° | 64.7° |
| H51A | C5B | C4B | H4B | 71.5° | 174.3° |
| H52A | C5B | C4B | O4B | 60.3° | 173.2° |
| H52A | C5B | C4B | C3B | 57.2° | 55.3° |
| H52A | C5B | C4B | H4B | 179.0° | 65.7° |
| O4B | C4B | C3B | H4B | 121.1° | 119.6° |
| O4B | C4B | C3B | O3B | 86.1° | 120.7° |
| O4B | C4B | C3B | C2B | 30.6° | 2.0° |
| O4B | C4B | C3B | H3B | 152.7° | 116.7° |
| C4B | O4B | C1B | C2B | 30.3° | 40.1° |
| C4B | O4B | C1B | N9A | 141.1° | 158.8° |
| C4B | O4B | C1B | H1B | 95.0° | 78.3° |
| C3B | C4B | O4B | C1B | 0.7° | 26.5° |
| C4B | C3B | O3B | C2B | 109.5° | 114.8° |
| C4B | C3B | O3B | H3B | 127.1° | 122.7° |
| C4B | C3B | C2B | H3B | 126.7° | 118.6° |
| C4B | C3B | O3B | HO3A | 180.0° | 176.2° |
| C4B | C3B | C2B | O2B | 161.1° | 139.2° |
| C4B | C3B | C2B | C1B | 47.4° | 21.0° |
| C4B | C3B | C2B | H2B | 81.4° | 97.2° |
| H4B | C4B | O4B | C1B | 122.8° | 93.0° |
| H4B | C4B | C3B | O3B | 35.0° | 1.1° |
| H4B | C4B | C3B | C2B | 151.7° | 117.6° |
| H4B | C4B | C3B | H3B | 86.2° | 123.8° |
| O4B | C1B | C2B | C3B | 47.1° | 37.1° |
| O4B | C1B | C2B | O2B | 170.6° | 155.3° |
| O4B | C1B | C2B | N9A | 110.9° | 118.5° |
| O4B | C1B | C2B | H1B | 125.2° | 118.5° |
| O4B | C1B | C2B | H2B | 73.1° | 81.1° |
| O4B | C1B | N9A | H1B | 125.8° | 123.0° |
| O4B | C1B | N9A | C8A | 60.1° | 23.5° |
| O4B | C1B | N9A | C4A | 114.3° | 156.8° |
| O3B | C3B | C2B | H3B | 122.2° | 122.5° |
| O3B | C3B | C2B | O2B | 49.9° | 20.2° |
| O3B | C3B | C2B | C1B | 63.7° | 97.9° |
| O3B | C3B | C2B | H2B | 167.4° | 143.8° |
| C2B | C3B | O3B | HO3A | 70.5° | 61.4° |
| C3B | C2B | O2B | C1B | 108.3° | 112.7° |
| C3B | C2B | O2B | H2B | 122.1° | 123.7° |
| C3B | C2B | C1B | H2B | 120.2° | 118.3° |
| C3B | C2B | O2B | HO2A | 180.0° | 67.3° |
| C3B | C2B | C1B | N9A | 158.0° | 155.7° |
| C3B | C2B | C1B | H1B | 78.1° | 81.4° |
| H3B | C3B | O3B | HO3A | 53.0° | 61.1° |
| H3B | C3B | C2B | O2B | 72.2° | 102.2° |
| H3B | C3B | C2B | C1B | 174.1° | 139.6° |
| H3B | C3B | C2B | H2B | 45.3° | 21.4° |
| O2B | C2B | C1B | H2B | 116.3° | 123.6° |
| O2B | C2B | C1B | N9A | 78.5° | 86.2° |
| O2B | C2B | C1B | H1B | 45.4° | 36.8° |
| C1B | C2B | O2B | HO2A | 71.7° | 180.0° |
| C2B | C1B | N9A | H1B | 125.8° | 122.9° |
| C2B | C1B | N9A | C8A | 48.3° | 90.6° |
| C2B | C1B | N9A | C4A | 137.4° | 89.1° |
| H2B | C2B | O2B | HO2A | 57.9° | 56.4° |
| H2B | C2B | C1B | N9A | 37.8° | 37.4° |
| H2B | C2B | C1B | H1B | 161.7° | 160.3° |
| C1B | N9A | C8A | C4A | 175.3° | 179.7° |
| C1B | N9A | C8A | N7A | 171.0° | 180.0° |
| C1B | N9A | C8A | H8A | 9.1° | 0.0° |
| C1B | N9A | C4A | C5A | 172.9° | 179.9° |
| C1B | N9A | C4A | N3A | 5.7° | 0.8° |
| H1B | C1B | N9A | C8A | 174.1° | 146.5° |
| H1B | C1B | N9A | C4A | 11.6° | 33.8° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 4.4° | 0.0° |
| C8A | N9A | C4A | C5A | 2.3° | 0.4° |
| C8A | N9A | C4A | N3A | 179.1° | 179.5° |
| C4A | N9A | C8A | N7A | 4.3° | 0.3° |
| C4A | N9A | C8A | H8A | 175.6° | 179.7° |
| N9A | C4A | C5A | N7A | 0.3° | 0.4° |
| N9A | C4A | C5A | C6A | 179.6° | 179.8° |
| N9A | C4A | C5A | N3A | 178.6° | 179.3° |
| N9A | C4A | N3A | C2A | 179.5° | 179.6° |
| C8A | N7A | C5A | C6A | 177.0° | 180.0° |
| C8A | N7A | C5A | C4A | 2.9° | 0.2° |
| H8A | C8A | N7A | C5A | 175.6° | 179.9° |
| N7A | C5A | C6A | C4A | 179.9° | 179.8° |
| N7A | C5A | C6A | N6A | 2.1° | 0.1° |
| N7A | C5A | C6A | N1A | 178.9° | 180.0° |
| N7A | C5A | C4A | N3A | 178.3° | 179.6° |
| C5A | C6A | N6A | N1A | 179.0° | 179.9° |
| C5A | C6A | N6A | H61A | 179.9° | 0.0° |
| C5A | C6A | N6A | H62A | 54.8° | 179.9° |
| C5A | C6A | N1A | C2A | 4.2° | 0.0° |
| C6A | C5A | C4A | N3A | 1.8° | 0.5° |
| C4A | C5A | C6A | N6A | 178.0° | 179.7° |
| C4A | C5A | C6A | N1A | 1.0° | 0.2° |
| C5A | C4A | N3A | C2A | 1.2° | 0.6° |
| C6A | N6A | H61A | H62A | 125.2° | 180.0° |
| N6A | C6A | N1A | C2A | 174.9° | 179.9° |
| N1A | C6A | N6A | H61A | 1.1° | 180.0° |
| N1A | C6A | N6A | H62A | 126.2° | 0.0° |
| C6A | N1A | C2A | N3A | 5.4° | 0.0° |
| C6A | N1A | C2A | H2A | 174.7° | 180.0° |
| N1A | C2A | N3A | H2A | 179.9° | 179.9° |
| N1A | C2A | N3A | C4A | 2.4° | 0.4° |
| H2A | C2A | N3A | C4A | 177.6° | 179.7° |
| O3 | PN | O1N | O2N | 123.9° | 120.0° |
| O3 | PN | O1N | O5D | 107.8° | 120.1° |
| O3 | PN | O2N | O5D | 128.4° | 120.0° |
| O3 | PN | O5D | C5D | 111.1° | 175.0° |
| O1N | PN | O2N | O5D | 128.2° | 119.9° |
| O1N | PN | O5D | C5D | 157.1° | 65.0° |
| O2N | PN | O5D | C5D | 24.3° | 55.0° |
| PN | O5D | C5D | C4D | 178.5° | 180.0° |
| PN | O5D | C5D | H51N | 53.3° | 60.1° |
| PN | O5D | C5D | H52N | 56.1° | 60.0° |
| O5D | C5D | C4D | H51N | 125.2° | 120.0° |
| O5D | C5D | C4D | H52N | 125.3° | 120.0° |
| O5D | C5D | H51N | H52N | 117.2° | 120.1° |
| O5D | C5D | C4D | O4D | 104.6° | 66.5° |
| O5D | C5D | C4D | C3D | 13.8° | 178.1° |
| O5D | C5D | C4D | H4D | 135.3° | 55.8° |
| C4D | C5D | H51N | H52N | 117.3° | 120.0° |
| C5D | C4D | O4D | C3D | 121.5° | 118.9° |
| C5D | C4D | O4D | H4D | 117.0° | 122.2° |
| C5D | C4D | C3D | H4D | 117.0° | 122.3° |
| C5D | C4D | O4D | C1D | 111.1° | 159.5° |
| C5D | C4D | C3D | O3D | 145.9° | 98.4° |
| C5D | C4D | C3D | C2D | 91.4° | 142.9° |
| C5D | C4D | C3D | H3D | 33.3° | 24.2° |
| H51N | C5D | C4D | O4D | 130.1° | 173.6° |
| H51N | C5D | C4D | C3D | 111.4° | 58.1° |
| H51N | C5D | C4D | H4D | 10.0° | 64.2° |
| H52N | C5D | C4D | O4D | 20.7° | 53.5° |
| H52N | C5D | C4D | C3D | 139.1° | 61.9° |
| H52N | C5D | C4D | H4D | 99.4° | 175.8° |
| O4D | C4D | C3D | H4D | 120.2° | 118.9° |
| O4D | C4D | C3D | O3D | 91.3° | 142.7° |
| O4D | C4D | C3D | C2D | 31.4° | 24.1° |
| O4D | C4D | C3D | H3D | 156.1° | 94.6° |
| C4D | O4D | C1D | C2D | 15.1° | 40.5° |
| C4D | O4D | C1D | N1N | 133.4° | 159.3° |
| C4D | O4D | C1D | H1D | 108.0° | 78.4° |
| C3D | C4D | O4D | C1D | 10.3° | 40.5° |
| C4D | C3D | O3D | C2D | 117.3° | 114.7° |
| C4D | C3D | O3D | H3D | 118.5° | 122.7° |
| C4D | C3D | C2D | H3D | 119.4° | 118.7° |
| C4D | C3D | O3D | HO3N | 179.9° | 180.0° |
| C4D | C3D | C2D | O2D | 159.2° | 118.8° |
| C4D | C3D | C2D | C1D | 40.0° | 0.1° |
| C4D | C3D | C2D | H2D | 82.1° | 118.6° |
| H4D | C4D | O4D | C1D | 131.9° | 78.3° |
| H4D | C4D | C3D | O3D | 28.9° | 23.9° |
| H4D | C4D | C3D | C2D | 151.7° | 94.8° |
| H4D | C4D | C3D | H3D | 83.7° | 146.5° |
| O4D | C1D | C2D | C3D | 34.9° | 23.9° |
| O4D | C1D | C2D | O2D | 152.6° | 142.6° |
| O4D | C1D | C2D | N1N | 120.4° | 118.9° |
| O4D | C1D | C2D | H1D | 121.0° | 118.9° |
| O4D | C1D | C2D | H2D | 88.6° | 94.7° |
| O4D | C1D | N1N | H1D | 121.4° | 122.3° |
| O4D | C1D | N1N | C2N | 103.4° | 142.6° |
| O4D | C1D | N1N | C6N | 73.9° | 37.0° |
| O3D | C3D | C2D | H3D | 113.0° | 122.6° |
| O3D | C3D | C2D | O2D | 31.6° | 0.1° |
| O3D | C3D | C2D | C1D | 87.6° | 118.8° |
| O3D | C3D | C2D | H2D | 150.2° | 122.7° |
| C2D | C3D | O3D | HO3N | 62.8° | 65.3° |
| C3D | C2D | O2D | C1D | 113.5° | 114.7° |
| C3D | C2D | O2D | H2D | 123.8° | 122.6° |
| C3D | C2D | C1D | H2D | 123.4° | 118.5° |
| C3D | C2D | O2D | HO2N | 180.0° | 61.5° |
| C3D | C2D | C1D | N1N | 155.3° | 142.8° |
| C3D | C2D | C1D | H1D | 86.2° | 95.0° |
| H3D | C3D | O3D | HO3N | 61.4° | 57.3° |
| H3D | C3D | C2D | O2D | 81.4° | 122.5° |
| H3D | C3D | C2D | C1D | 159.4° | 118.6° |
| H3D | C3D | C2D | H2D | 37.3° | 0.1° |
| O2D | C2D | C1D | H2D | 118.9° | 122.7° |
| O2D | C2D | C1D | N1N | 87.0° | 98.5° |
| O2D | C2D | C1D | H1D | 31.5° | 23.7° |
| C1D | C2D | O2D | HO2N | 66.5° | 176.1° |
| C2D | C1D | N1N | H1D | 123.2° | 122.2° |
| C2D | C1D | N1N | C2N | 141.2° | 101.9° |
| C2D | C1D | N1N | C6N | 41.6° | 78.5° |
| H2D | C2D | O2D | HO2N | 56.2° | 61.1° |
| H2D | C2D | C1D | N1N | 31.8° | 24.2° |
| H2D | C2D | C1D | H1D | 150.4° | 146.4° |
| C1D | N1N | C2N | C6N | 177.4° | 179.6° |
| C1D | N1N | C2N | C3N | 173.7° | 179.8° |
| C1D | N1N | C2N | H2N | 6.3° | 0.4° |
| C1D | N1N | C6N | C5N | 171.8° | 179.9° |
| C1D | N1N | C6N | H6N | 8.2° | 0.0° |
| H1D | C1D | N1N | C2N | 18.0° | 20.3° |
| H1D | C1D | N1N | C6N | 164.7° | 159.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.4° |
| N1N | C2N | C3N | C7N | 177.9° | 179.6° |
| N1N | C2N | C3N | C4N | 0.5° | 0.6° |
| C2N | N1N | C6N | C5N | 5.4° | 0.3° |
| C2N | N1N | C6N | H6N | 174.6° | 179.7° |
| C6N | N1N | C2N | C3N | 3.7° | 0.6° |
| C6N | N1N | C2N | H2N | 176.3° | 180.0° |
| N1N | C6N | C5N | C4N | 4.4° | 0.0° |
| N1N | C6N | C5N | H6N | 180.0° | 180.0° |
| N1N | C6N | C5N | H5N | 175.6° | 180.0° |
| C2N | C3N | C7N | C4N | 176.9° | 179.8° |
| C2N | C3N | C7N | O7N | 162.2° | 0.2° |
| C2N | C3N | C7N | C8N | 10.7° | 179.7° |
| C2N | C3N | C4N | C5N | 0.6° | 0.3° |
| C2N | C3N | C4N | H4N | 179.4° | 179.8° |
| H2N | C2N | C3N | C7N | 2.1° | 0.2° |
| H2N | C2N | C3N | C4N | 179.4° | 180.0° |
| C3N | C7N | O7N | C8N | 172.9° | 179.9° |
| C3N | C7N | C8N | H81N | 180.0° | 179.9° |
| C3N | C7N | C8N | H82N | 54.7° | 60.0° |
| C3N | C7N | C8N | H83N | 54.7° | 60.1° |
| C7N | C3N | C4N | C5N | 176.6° | 179.9° |
| C7N | C3N | C4N | H4N | 3.4° | 0.0° |
| C4N | C3N | C7N | O7N | 14.6° | 180.0° |
| C4N | C3N | C7N | C8N | 172.5° | 0.0° |
| C3N | C4N | C5N | H4N | 180.0° | 179.9° |
| C3N | C4N | C5N | C6N | 1.4° | 0.0° |
| C3N | C4N | C5N | H5N | 178.6° | 180.0° |
| O7N | C7N | C8N | H81N | 7.2° | 0.0° |
| O7N | C7N | C8N | H82N | 118.1° | 120.0° |
| O7N | C7N | C8N | H83N | 132.5° | 120.0° |
| C7N | C8N | H81N | H82N | 125.3° | 120.0° |
| C7N | C8N | H81N | H83N | 125.3° | 120.0° |
| C7N | C8N | H82N | H83N | 113.7° | 120.0° |
| H81N | C8N | H82N | H83N | 113.8° | 120.0° |
| C4N | C5N | C6N | H5N | 180.0° | 180.0° |
| C4N | C5N | C6N | H6N | 175.6° | 180.0° |
| H4N | C4N | C5N | C6N | 178.6° | 179.9° |
| H4N | C4N | C5N | H5N | 1.4° | 0.1° |
| H5N | C5N | C6N | H6N | 4.4° | 0.0° |
