A3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.43Å | |
| PA | O2A | sing | 1.61Å | 1.53Å | |
| PA | O5B | sing | 1.61Å | 1.58Å | |
| PA | O3 | sing | 1.61Å | 1.57Å | |
| 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 | 1.10Å | |
| C5B | H52A | sing | 1.09Å | 1.10Å | |
| C4B | O4B | sing | 1.44Å | 1.48Å | |
| C4B | C3B | sing | 1.54Å | 1.59Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| O4B | C1B | sing | 1.44Å | 1.39Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| C2B | C1B | sing | 1.55Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.43Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| N9A | C8A | sing | 1.36Å | 1.37Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| N7A | C5A | sing | 1.36Å | 1.37Å | Aromatic |
| C5A | C6A | doub | 1.40Å | 1.39Å | Aromatic |
| C5A | C4A | sing | 1.40Å | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| C6A | N1A | sing | 1.33Å | 1.40Å | Aromatic |
| N6A | H61A | sing | 0.97Å | 1.00Å | |
| N6A | H62A | sing | 0.97Å | 1.00Å | |
| N1A | C2A | doub | 1.32Å | 1.41Å | Aromatic |
| C2A | N3A | sing | 1.32Å | 1.39Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N3A | C4A | doub | 1.33Å | 1.39Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.59Å | |
| PN | O1N | doub | 1.54Å | 1.50Å | |
| PN | O2N | sing | 1.55Å | 1.49Å | |
| PN | O5D | sing | 1.61Å | 1.58Å | |
| O5D | C5D | sing | 1.43Å | 1.47Å | |
| C5D | C4D | sing | 1.53Å | 1.51Å | |
| C5D | H51N | sing | 1.09Å | 1.10Å | |
| C5D | H52N | sing | 1.09Å | 1.10Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | C3D | sing | 1.54Å | 1.58Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | C1D | sing | 1.44Å | 1.44Å | |
| C3D | O3D | sing | 1.43Å | 1.44Å | |
| C3D | C2D | sing | 1.55Å | 1.51Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.42Å | |
| C2D | C1D | sing | 1.55Å | 1.47Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.47Å | 1.48Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| N1N | C2N | doub | 1.32Å | 1.39Å | Aromatic |
| N1N | C6N | sing | 1.32Å | 1.43Å | Aromatic |
| C2N | C3N | sing | 1.40Å | 1.38Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| C3N | C7N | sing | 1.47Å | 1.51Å | |
| C3N | C4N | doub | 1.40Å | 1.46Å | Aromatic |
| C7N | O7N | doub | 1.21Å | 1.22Å | |
| C7N | C8N | sing | 1.51Å | 1.51Å | |
| C8N | H81N | sing | 1.09Å | 1.10Å | |
| C8N | H82N | sing | 1.09Å | 1.10Å | |
| C8N | H83N | sing | 1.09Å | 1.10Å | |
| C4N | C5N | sing | 1.38Å | 1.42Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5N | C6N | doub | 1.38Å | 1.43Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.08Å | |
| C6N | H6N | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 117.7° | 109.5° |
| O1A | PA | O5B | 107.1° | 109.5° |
| O1A | PA | O3 | 111.1° | 109.5° |
| O2A | PA | O5B | 108.1° | 109.5° |
| O2A | PA | O3 | 108.0° | 109.4° |
| PA | O2A | HOA2 | 109.5° | 114.0° |
| O5B | PA | O3 | 104.0° | 109.5° |
| PA | O5B | C5B | 121.0° | 123.0° |
| PA | O3 | PN | 134.1° | 134.0° |
| O5B | C5B | C4B | 96.4° | 109.5° |
| O5B | C5B | H51A | 116.7° | 109.5° |
| O5B | C5B | H52A | 114.1° | 109.5° |
| C4B | C5B | H51A | 116.7° | 109.4° |
| C4B | C5B | H52A | 114.1° | 109.5° |
| C5B | C4B | O4B | 112.0° | 109.9° |
| C5B | C4B | C3B | 118.5° | 109.9° |
| C5B | C4B | H4B | 99.4° | 109.8° |
| H51A | C5B | H52A | 99.9° | 109.5° |
| O4B | C4B | C3B | 103.6° | 107.3° |
| O4B | C4B | H4B | 115.4° | 109.9° |
| C4B | O4B | C1B | 109.9° | 107.0° |
| C3B | C4B | H4B | 108.4° | 110.0° |
| C4B | C3B | O3B | 109.9° | 110.5° |
| C4B | C3B | C2B | 103.8° | 104.2° |
| C4B | C3B | H3B | 114.7° | 110.5° |
| O4B | C1B | C2B | 106.6° | 103.5° |
| O4B | C1B | N9A | 114.1° | 110.6° |
| O4B | C1B | H1B | 109.4° | 110.6° |
| O3B | C3B | C2B | 114.4° | 110.5° |
| O3B | C3B | H3B | 104.1° | 110.4° |
| C3B | O3B | HO3A | 109.5° | 114.0° |
| C2B | C3B | H3B | 110.2° | 110.6° |
| C3B | C2B | O2B | 115.1° | 110.9° |
| C3B | C2B | C1B | 101.8° | 102.1° |
| C3B | C2B | H2B | 111.1° | 110.9° |
| O2B | C2B | C1B | 110.0° | 110.9° |
| O2B | C2B | H2B | 103.1° | 110.8° |
| C2B | O2B | HO2A | 109.5° | 114.0° |
| C1B | C2B | H2B | 116.2° | 111.0° |
| C2B | C1B | N9A | 112.5° | 110.6° |
| C2B | C1B | H1B | 111.0° | 110.6° |
| N9A | C1B | H1B | 103.1° | 110.7° |
| C1B | N9A | C8A | 132.1° | 126.3° |
| C1B | N9A | C4A | 121.2° | 126.3° |
| C8A | N9A | C4A | 106.7° | 107.4° |
| N9A | C8A | N7A | 113.7° | 110.0° |
| N9A | C8A | H8A | 123.2° | 125.0° |
| N9A | C4A | C5A | 105.5° | 106.0° |
| N9A | C4A | N3A | 129.4° | 134.9° |
| N7A | C8A | H8A | 123.1° | 125.0° |
| C8A | N7A | C5A | 103.4° | 109.4° |
| N7A | C5A | C6A | 129.9° | 134.6° |
| N7A | C5A | C4A | 110.6° | 107.2° |
| C6A | C5A | C4A | 119.5° | 118.2° |
| C5A | C6A | N6A | 126.9° | 120.8° |
| C5A | C6A | N1A | 116.9° | 118.5° |
| C5A | C4A | N3A | 125.0° | 119.1° |
| N6A | C6A | N1A | 116.2° | 120.7° |
| C6A | N6A | H61A | 109.5° | 120.0° |
| C6A | N6A | H62A | 109.5° | 120.0° |
| C6A | N1A | C2A | 121.6° | 121.1° |
| H61A | N6A | H62A | 109.4° | 120.0° |
| N1A | C2A | N3A | 122.4° | 122.5° |
| N1A | C2A | H2A | 118.8° | 118.8° |
| N3A | C2A | H2A | 118.8° | 118.7° |
| C2A | N3A | C4A | 114.6° | 120.6° |
| O3 | PN | O1N | 109.1° | 109.5° |
| O3 | PN | O2N | 106.2° | 109.5° |
| O3 | PN | O5D | 101.1° | 109.5° |
| O1N | PN | O2N | 117.2° | 109.4° |
| O1N | PN | O5D | 108.4° | 109.4° |
| O2N | PN | O5D | 113.6° | 109.5° |
| PN | O5D | C5D | 116.3° | 123.0° |
| O5D | C5D | C4D | 110.8° | 109.5° |
| O5D | C5D | H51N | 108.8° | 109.5° |
| O5D | C5D | H52N | 109.1° | 109.5° |
| C4D | C5D | H51N | 108.7° | 109.4° |
| C4D | C5D | H52N | 109.0° | 109.5° |
| C5D | C4D | O4D | 111.6° | 109.9° |
| C5D | C4D | C3D | 116.8° | 109.9° |
| C5D | C4D | H4D | 101.4° | 109.9° |
| H51N | C5D | H52N | 110.5° | 109.5° |
| O4D | C4D | C3D | 105.2° | 107.3° |
| O4D | C4D | H4D | 113.9° | 109.9° |
| C4D | O4D | C1D | 107.8° | 107.0° |
| C3D | C4D | H4D | 108.2° | 110.0° |
| C4D | C3D | O3D | 110.4° | 110.5° |
| C4D | C3D | C2D | 101.9° | 104.2° |
| C4D | C3D | H3D | 115.0° | 110.5° |
| O4D | C1D | C2D | 106.5° | 103.5° |
| O4D | C1D | N1N | 105.9° | 110.6° |
| O4D | C1D | H1D | 117.3° | 110.7° |
| O3D | C3D | C2D | 113.1° | 110.5° |
| O3D | C3D | H3D | 104.2° | 110.4° |
| C3D | O3D | HO3N | 109.5° | 114.0° |
| C2D | C3D | H3D | 112.5° | 110.6° |
| C3D | C2D | O2D | 113.0° | 110.9° |
| C3D | C2D | C1D | 101.0° | 102.1° |
| C3D | C2D | H2D | 113.3° | 110.9° |
| O2D | C2D | C1D | 111.0° | 110.9° |
| O2D | C2D | H2D | 103.7° | 110.8° |
| C2D | O2D | HO2N | 109.5° | 114.0° |
| C1D | C2D | H2D | 115.2° | 111.0° |
| C2D | C1D | N1N | 118.6° | 110.6° |
| C2D | C1D | H1D | 104.2° | 110.7° |
| N1N | C1D | H1D | 104.9° | 110.6° |
| C1D | N1N | C2N | 119.3° | 119.1° |
| C1D | N1N | C6N | 117.2° | 119.0° |
| C2N | N1N | C6N | 123.5° | 121.9° |
| N1N | C2N | C3N | 119.1° | 120.5° |
| N1N | C2N | H2N | 120.5° | 119.7° |
| N1N | C6N | C5N | 116.9° | 121.2° |
| N1N | C6N | H6N | 121.6° | 119.4° |
| C3N | C2N | H2N | 120.5° | 119.8° |
| C2N | C3N | C7N | 118.1° | 120.6° |
| C2N | C3N | C4N | 121.2° | 118.8° |
| C7N | C3N | C4N | 120.7° | 120.6° |
| C3N | C7N | O7N | 116.7° | 120.0° |
| C3N | C7N | C8N | 120.6° | 120.0° |
| C3N | C4N | C5N | 118.0° | 118.3° |
| C3N | C4N | H4N | 121.1° | 120.9° |
| O7N | C7N | C8N | 122.7° | 120.1° |
| C7N | C8N | H81N | 109.5° | 109.5° |
| C7N | C8N | H82N | 109.4° | 109.5° |
| C7N | C8N | H83N | 109.5° | 109.5° |
| H81N | C8N | H82N | 109.5° | 109.4° |
| H81N | C8N | H83N | 109.5° | 109.5° |
| H82N | C8N | H83N | 109.5° | 109.4° |
| C5N | C4N | H4N | 121.0° | 120.8° |
| C4N | C5N | C6N | 121.4° | 119.3° |
| C4N | C5N | H5N | 119.3° | 120.3° |
| C6N | C5N | H5N | 119.3° | 120.4° |
| C5N | C6N | H6N | 121.6° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 121.4° | 120.0° |
| O1A | PA | O2A | O3 | 126.7° | 120.0° |
| O1A | PA | O5B | O3 | 117.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 32.2° | 180.0° |
| O1A | PA | O5B | C5B | 176.2° | 55.0° |
| O1A | PA | O3 | PN | 29.8° | 45.0° |
| O2A | PA | O5B | O3 | 114.6° | 120.0° |
| O2A | PA | O5B | C5B | 56.1° | 65.0° |
| O2A | PA | O3 | PN | 160.3° | 75.0° |
| O5B | PA | O2A | HOA2 | 89.2° | 59.9° |
| PA | O5B | C5B | C4B | 152.8° | 180.0° |
| PA | O5B | C5B | H51A | 28.6° | 60.1° |
| PA | O5B | C5B | H52A | 87.2° | 60.0° |
| O5B | PA | O3 | PN | 85.0° | 165.0° |
| O3 | PA | O2A | HOA2 | 158.9° | 60.0° |
| O3 | PA | O5B | C5B | 58.5° | 175.0° |
| PA | O3 | PN | O1N | 82.0° | 40.0° |
| PA | O3 | PN | O2N | 45.1° | 80.0° |
| PA | O3 | PN | O5D | 164.0° | 160.0° |
| O5B | C5B | C4B | H51A | 124.2° | 120.0° |
| O5B | C5B | C4B | H52A | 120.0° | 120.0° |
| O5B | C5B | H51A | H52A | 123.5° | 120.0° |
| O5B | C5B | C4B | O4B | 175.9° | 66.4° |
| O5B | C5B | C4B | C3B | 63.5° | 175.7° |
| O5B | C5B | C4B | H4B | 53.5° | 54.5° |
| C4B | C5B | H51A | H52A | 123.5° | 120.0° |
| C5B | C4B | O4B | C3B | 128.9° | 119.4° |
| C5B | C4B | O4B | H4B | 112.7° | 120.9° |
| C5B | C4B | C3B | H4B | 112.1° | 121.1° |
| C5B | C4B | O4B | C1B | 139.9° | 146.0° |
| C5B | C4B | C3B | O3B | 125.5° | 119.8° |
| C5B | C4B | C3B | C2B | 111.6° | 121.4° |
| C5B | C4B | C3B | H3B | 8.7° | 2.7° |
| H51A | C5B | C4B | O4B | 59.9° | 53.5° |
| H51A | C5B | C4B | C3B | 60.7° | 64.3° |
| H51A | C5B | C4B | H4B | 177.7° | 174.5° |
| H52A | C5B | C4B | O4B | 55.9° | 173.5° |
| H52A | C5B | C4B | C3B | 176.5° | 55.7° |
| H52A | C5B | C4B | H4B | 66.5° | 65.5° |
| O4B | C4B | C3B | H4B | 123.1° | 119.5° |
| O4B | C4B | C3B | O3B | 109.7° | 120.7° |
| O4B | C4B | C3B | C2B | 13.1° | 2.0° |
| O4B | C4B | C3B | H3B | 133.5° | 116.7° |
| C4B | O4B | C1B | C2B | 31.7° | 40.1° |
| C4B | O4B | C1B | N9A | 156.6° | 158.6° |
| C4B | O4B | C1B | H1B | 88.5° | 78.4° |
| C3B | C4B | O4B | C1B | 11.0° | 26.5° |
| C4B | C3B | O3B | C2B | 116.3° | 114.8° |
| C4B | C3B | O3B | H3B | 123.3° | 122.6° |
| C4B | C3B | C2B | H3B | 123.3° | 118.7° |
| C4B | C3B | O3B | HO3A | 20.4° | 179.9° |
| C4B | C3B | C2B | O2B | 149.2° | 139.1° |
| C4B | C3B | C2B | C1B | 30.3° | 20.9° |
| C4B | C3B | C2B | H2B | 94.1° | 97.4° |
| H4B | C4B | O4B | C1B | 107.4° | 93.1° |
| H4B | C4B | C3B | O3B | 13.4° | 1.2° |
| H4B | C4B | C3B | C2B | 136.3° | 117.5° |
| H4B | C4B | C3B | H3B | 103.4° | 123.8° |
| O4B | C1B | C2B | C3B | 38.7° | 37.1° |
| O4B | C1B | C2B | O2B | 161.3° | 155.2° |
| O4B | C1B | C2B | N9A | 125.8° | 118.5° |
| O4B | C1B | C2B | H1B | 119.1° | 118.5° |
| O4B | C1B | C2B | H2B | 82.1° | 81.2° |
| O4B | C1B | N9A | H1B | 118.6° | 122.9° |
| O4B | C1B | N9A | C8A | 88.8° | 23.6° |
| O4B | C1B | N9A | C4A | 94.1° | 156.8° |
| O3B | C3B | C2B | H3B | 116.9° | 122.6° |
| O3B | C3B | C2B | O2B | 29.4° | 20.4° |
| O3B | C3B | C2B | C1B | 89.5° | 97.8° |
| O3B | C3B | C2B | H2B | 146.1° | 143.9° |
| C2B | C3B | O3B | HO3A | 95.9° | 65.1° |
| C3B | C2B | O2B | C1B | 114.3° | 112.7° |
| C3B | C2B | O2B | H2B | 121.2° | 123.6° |
| C3B | C2B | C1B | H2B | 120.9° | 118.3° |
| C3B | C2B | O2B | HO2A | 130.1° | 61.5° |
| C3B | C2B | C1B | N9A | 164.5° | 155.5° |
| C3B | C2B | C1B | H1B | 80.4° | 81.4° |
| H3B | C3B | O3B | HO3A | 143.8° | 57.5° |
| H3B | C3B | C2B | O2B | 87.5° | 102.2° |
| H3B | C3B | C2B | C1B | 153.6° | 139.6° |
| H3B | C3B | C2B | H2B | 29.2° | 21.3° |
| O2B | C2B | C1B | H2B | 116.6° | 123.5° |
| O2B | C2B | C1B | N9A | 72.9° | 86.3° |
| O2B | C2B | C1B | H1B | 42.1° | 36.8° |
| C1B | C2B | O2B | HO2A | 15.9° | 174.2° |
| C2B | C1B | N9A | H1B | 119.7° | 123.0° |
| C2B | C1B | N9A | C8A | 32.9° | 90.5° |
| C2B | C1B | N9A | C4A | 144.3° | 89.2° |
| H2B | C2B | O2B | HO2A | 108.6° | 62.2° |
| H2B | C2B | C1B | N9A | 43.7° | 37.3° |
| H2B | C2B | C1B | H1B | 158.7° | 160.3° |
| C1B | N9A | C8A | C4A | 177.4° | 179.7° |
| C1B | N9A | C8A | N7A | 177.0° | 179.9° |
| C1B | N9A | C8A | H8A | 3.0° | 0.0° |
| C1B | N9A | C4A | C5A | 177.3° | 179.9° |
| C1B | N9A | C4A | N3A | 2.3° | 0.9° |
| H1B | C1B | N9A | C8A | 152.6° | 146.5° |
| H1B | C1B | N9A | C4A | 24.5° | 33.9° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 0.2° | 0.0° |
| C8A | N9A | C4A | C5A | 0.5° | 0.4° |
| C8A | N9A | C4A | N3A | 179.9° | 179.5° |
| C4A | N9A | C8A | N7A | 0.5° | 0.2° |
| C4A | N9A | C8A | H8A | 179.5° | 179.7° |
| N9A | C4A | C5A | N7A | 0.4° | 0.4° |
| N9A | C4A | C5A | C6A | 179.6° | 179.8° |
| N9A | C4A | C5A | N3A | 179.7° | 179.2° |
| N9A | C4A | N3A | C2A | 179.9° | 179.5° |
| C8A | N7A | C5A | C6A | 179.9° | 180.0° |
| C8A | N7A | C5A | C4A | 0.1° | 0.3° |
| H8A | C8A | N7A | C5A | 179.8° | 179.9° |
| N7A | C5A | C6A | C4A | 179.9° | 179.7° |
| N7A | C5A | C6A | N6A | 0.5° | 0.0° |
| N7A | C5A | C6A | N1A | 179.8° | 180.0° |
| N7A | C5A | C4A | N3A | 180.0° | 179.6° |
| C5A | C6A | N6A | N1A | 179.8° | 180.0° |
| C5A | C6A | N6A | H61A | 11.8° | 0.1° |
| C5A | C6A | N6A | H62A | 131.7° | 180.0° |
| C5A | C6A | N1A | C2A | 0.2° | 0.0° |
| C6A | C5A | C4A | N3A | 0.1° | 0.6° |
| C4A | C5A | C6A | N6A | 179.5° | 179.7° |
| C4A | C5A | C6A | N1A | 0.3° | 0.3° |
| C5A | C4A | N3A | C2A | 0.3° | 0.6° |
| C6A | N6A | H61A | H62A | 120.0° | 180.0° |
| N6A | C6A | N1A | C2A | 179.6° | 180.0° |
| N1A | C6A | N6A | H61A | 168.5° | 180.0° |
| N1A | C6A | N6A | H62A | 48.5° | 0.0° |
| C6A | N1A | C2A | N3A | 0.2° | 0.0° |
| C6A | N1A | C2A | H2A | 179.8° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.4° | 0.3° |
| H2A | C2A | N3A | C4A | 179.6° | 179.7° |
| O3 | PN | O1N | O2N | 120.7° | 120.0° |
| O3 | PN | O1N | O5D | 109.2° | 120.0° |
| O3 | PN | O2N | O5D | 110.2° | 120.0° |
| O3 | PN | O5D | C5D | 73.1° | 175.1° |
| O1N | PN | O2N | O5D | 127.7° | 120.0° |
| O1N | PN | O5D | C5D | 172.3° | 55.1° |
| O2N | PN | O5D | C5D | 40.3° | 64.9° |
| PN | O5D | C5D | C4D | 174.7° | 180.0° |
| PN | O5D | C5D | H51N | 65.9° | 60.1° |
| PN | O5D | C5D | H52N | 54.7° | 59.9° |
| O5D | C5D | C4D | H51N | 119.5° | 119.9° |
| O5D | C5D | C4D | H52N | 120.0° | 120.1° |
| O5D | C5D | H51N | H52N | 119.7° | 120.1° |
| O5D | C5D | C4D | O4D | 64.8° | 66.4° |
| O5D | C5D | C4D | C3D | 56.3° | 175.8° |
| O5D | C5D | C4D | H4D | 173.6° | 54.6° |
| C4D | C5D | H51N | H52N | 119.6° | 120.0° |
| C5D | C4D | O4D | C3D | 127.6° | 119.4° |
| C5D | C4D | O4D | H4D | 114.0° | 121.0° |
| C5D | C4D | C3D | H4D | 113.5° | 121.1° |
| C5D | C4D | O4D | C1D | 131.3° | 145.9° |
| C5D | C4D | C3D | O3D | 136.6° | 119.9° |
| C5D | C4D | C3D | C2D | 103.0° | 121.5° |
| C5D | C4D | C3D | H3D | 19.0° | 2.7° |
| H51N | C5D | C4D | O4D | 54.7° | 53.5° |
| H51N | C5D | C4D | C3D | 175.8° | 64.3° |
| H51N | C5D | C4D | H4D | 66.9° | 174.5° |
| H52N | C5D | C4D | O4D | 175.2° | 173.5° |
| H52N | C5D | C4D | C3D | 63.7° | 55.7° |
| H52N | C5D | C4D | H4D | 53.6° | 65.5° |
| O4D | C4D | C3D | H4D | 122.1° | 119.4° |
| O4D | C4D | C3D | O3D | 99.0° | 120.7° |
| O4D | C4D | C3D | C2D | 21.4° | 2.0° |
| O4D | C4D | C3D | H3D | 143.4° | 116.8° |
| C4D | O4D | C1D | C2D | 28.9° | 40.1° |
| C4D | O4D | C1D | N1N | 156.0° | 158.6° |
| C4D | O4D | C1D | H1D | 87.3° | 78.5° |
| C3D | C4D | O4D | C1D | 3.6° | 26.5° |
| C4D | C3D | O3D | C2D | 113.4° | 114.7° |
| C4D | C3D | O3D | H3D | 124.1° | 122.6° |
| C4D | C3D | C2D | H3D | 123.7° | 118.7° |
| C4D | C3D | O3D | HO3N | 57.3° | 180.0° |
| C4D | C3D | C2D | O2D | 156.1° | 139.1° |
| C4D | C3D | C2D | C1D | 37.5° | 20.9° |
| C4D | C3D | C2D | H2D | 86.3° | 97.4° |
| H4D | C4D | O4D | C1D | 114.7° | 93.0° |
| H4D | C4D | C3D | O3D | 23.1° | 1.2° |
| H4D | C4D | C3D | C2D | 143.5° | 117.4° |
| H4D | C4D | C3D | H3D | 94.6° | 123.8° |
| O4D | C1D | C2D | C3D | 41.9° | 37.0° |
| O4D | C1D | C2D | O2D | 162.0° | 155.2° |
| O4D | C1D | C2D | N1N | 119.2° | 118.5° |
| O4D | C1D | C2D | H1D | 124.7° | 118.6° |
| O4D | C1D | C2D | H2D | 80.5° | 81.2° |
| O4D | C1D | N1N | H1D | 124.7° | 123.0° |
| O4D | C1D | N1N | C2N | 103.1° | 141.5° |
| O4D | C1D | N1N | C6N | 77.3° | 38.2° |
| O3D | C3D | C2D | H3D | 117.8° | 122.6° |
| O3D | C3D | C2D | O2D | 37.6° | 20.4° |
| O3D | C3D | C2D | C1D | 81.1° | 97.8° |
| O3D | C3D | C2D | H2D | 155.2° | 143.9° |
| C2D | C3D | O3D | HO3N | 56.1° | 65.3° |
| C3D | C2D | O2D | C1D | 112.7° | 112.7° |
| C3D | C2D | O2D | H2D | 123.0° | 123.6° |
| C3D | C2D | C1D | H2D | 122.4° | 118.2° |
| C3D | C2D | O2D | HO2N | 78.2° | 61.5° |
| C3D | C2D | C1D | N1N | 161.0° | 155.5° |
| C3D | C2D | C1D | H1D | 82.8° | 81.5° |
| H3D | C3D | O3D | HO3N | 178.6° | 57.4° |
| H3D | C3D | C2D | O2D | 80.1° | 102.2° |
| H3D | C3D | C2D | C1D | 161.2° | 139.6° |
| H3D | C3D | C2D | H2D | 37.4° | 21.3° |
| O2D | C2D | C1D | H2D | 117.4° | 123.6° |
| O2D | C2D | C1D | N1N | 78.8° | 86.3° |
| O2D | C2D | C1D | H1D | 37.3° | 36.6° |
| C1D | C2D | O2D | HO2N | 169.1° | 174.1° |
| C2D | C1D | N1N | H1D | 115.8° | 123.0° |
| C2D | C1D | N1N | C2N | 137.4° | 104.5° |
| C2D | C1D | N1N | C6N | 42.2° | 75.8° |
| H2D | C2D | O2D | HO2N | 44.9° | 62.1° |
| H2D | C2D | C1D | N1N | 38.6° | 37.3° |
| H2D | C2D | C1D | H1D | 154.8° | 160.3° |
| C1D | N1N | C2N | C6N | 179.5° | 179.7° |
| C1D | N1N | C2N | C3N | 179.6° | 179.9° |
| C1D | N1N | C2N | H2N | 0.4° | 0.0° |
| C1D | N1N | C6N | C5N | 179.7° | 179.8° |
| C1D | N1N | C6N | H6N | 0.3° | 0.1° |
| H1D | C1D | N1N | C2N | 21.6° | 18.5° |
| H1D | C1D | N1N | C6N | 157.9° | 161.2° |
| N1N | C2N | C3N | H2N | 180.0° | 179.9° |
| N1N | C2N | C3N | C7N | 179.9° | 180.0° |
| N1N | C2N | C3N | C4N | 0.2° | 0.1° |
| C2N | N1N | C6N | C5N | 0.2° | 0.6° |
| C2N | N1N | C6N | H6N | 179.8° | 179.8° |
| C6N | N1N | C2N | C3N | 0.1° | 0.2° |
| C6N | N1N | C2N | H2N | 179.9° | 179.7° |
| N1N | C6N | C5N | C4N | 0.0° | 0.6° |
| N1N | C6N | C5N | H6N | 180.0° | 179.6° |
| N1N | C6N | C5N | H5N | 180.0° | 179.7° |
| C2N | C3N | C7N | C4N | 179.9° | 179.9° |
| C2N | C3N | C7N | O7N | 179.6° | 0.1° |
| C2N | C3N | C7N | C8N | 0.3° | 180.0° |
| C2N | C3N | C4N | C5N | 0.5° | 0.1° |
| C2N | C3N | C4N | H4N | 179.5° | 179.9° |
| H2N | C2N | C3N | C7N | 0.1° | 0.1° |
| H2N | C2N | C3N | C4N | 179.8° | 180.0° |
| C3N | C7N | O7N | C8N | 179.9° | 179.9° |
| C3N | C7N | C8N | H81N | 45.9° | 90.1° |
| C3N | C7N | C8N | H82N | 74.1° | 150.0° |
| C3N | C7N | C8N | H83N | 165.9° | 30.0° |
| C7N | C3N | C4N | C5N | 179.7° | 180.0° |
| C7N | C3N | C4N | H4N | 0.3° | 0.0° |
| C4N | C3N | C7N | O7N | 0.3° | 180.0° |
| C4N | C3N | C7N | C8N | 179.8° | 0.0° |
| C3N | C4N | C5N | H4N | 180.0° | 180.0° |
| C3N | C4N | C5N | C6N | 0.4° | 0.3° |
| C3N | C4N | C5N | H5N | 179.7° | 180.0° |
| O7N | C7N | C8N | H81N | 134.0° | 90.0° |
| O7N | C7N | C8N | H82N | 106.0° | 29.9° |
| O7N | C7N | C8N | H83N | 14.0° | 149.9° |
| C7N | C8N | H81N | H82N | 120.0° | 120.0° |
| C7N | C8N | H81N | H83N | 120.0° | 120.1° |
| C7N | C8N | H82N | H83N | 120.0° | 120.1° |
| H81N | C8N | H82N | H83N | 120.0° | 120.0° |
| C4N | C5N | C6N | H5N | 180.0° | 179.7° |
| C4N | C5N | C6N | H6N | 179.9° | 179.8° |
| H4N | C4N | C5N | C6N | 179.6° | 179.7° |
| H4N | C4N | C5N | H5N | 0.3° | 0.0° |
| H5N | C5N | C6N | H6N | 0.1° | 0.1° |
