SND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| 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 | 1.51Å | |
| C5B | H51A | sing | 1.09Å | 1.10Å | |
| C5B | H52A | sing | 1.09Å | 1.10Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C3B | sing | 1.54Å | 1.55Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| O4B | C1B | sing | 1.44Å | 1.42Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C3B | C2B | sing | 1.55Å | 1.52Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C1B | sing | 1.55Å | 1.52Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.49Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| N9A | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.38Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| N7A | C5A | sing | 1.35Å | 1.38Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.44Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.41Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| C6A | N1A | doub | 1.33Å | 1.41Å | Aromatic |
| N6A | H61A | sing | 0.97Å | 1.00Å | |
| N6A | H62A | sing | 0.97Å | 1.00Å | |
| N1A | C2A | sing | 1.32Å | 1.40Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.33Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N3A | C4A | sing | 1.33Å | 1.40Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.53Å | |
| PN | O1N | doub | 1.55Å | 1.49Å | |
| PN | O2N | sing | 1.55Å | 1.48Å | |
| PN | O5D | sing | 1.61Å | 1.49Å | |
| O5D | C5D | sing | 1.43Å | 1.39Å | |
| C5D | C4D | sing | 1.53Å | 1.28Å | |
| C5D | H51N | sing | 1.09Å | 1.10Å | |
| C5D | H52N | sing | 1.09Å | 1.10Å | |
| C4D | O4D | sing | 1.44Å | 1.46Å | |
| C4D | C3D | sing | 1.54Å | 1.54Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | C1D | sing | 1.44Å | 1.45Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.55Å | 1.54Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.13Å | |
| C2D | C1D | sing | 1.55Å | 1.52Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.46Å | 1.44Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| N1N | C2N | doub | 1.32Å | 1.40Å | Aromatic |
| N1N | C6N | sing | 1.32Å | 1.49Å | Aromatic |
| C2N | C3N | sing | 1.40Å | 1.41Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| C3N | C7N | sing | 1.48Å | 1.58Å | |
| C3N | C4N | doub | 1.40Å | 1.47Å | Aromatic |
| C7N | S7N | doub | 1.71Å | 1.62Å | |
| C7N | N7N | sing | 1.35Å | 1.35Å | |
| N7N | H71N | sing | 0.97Å | 1.00Å | |
| N7N | H72N | sing | 0.97Å | 1.00Å | |
| C4N | C5N | sing | 1.38Å | 1.42Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5N | C6N | doub | 1.38Å | 1.39Å | 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 | 111.3° | 109.5° |
| O1A | PA | O5B | 110.4° | 109.5° |
| O1A | PA | O3 | 113.3° | 109.5° |
| O2A | PA | O5B | 110.4° | 109.4° |
| O2A | PA | O3 | 116.7° | 109.4° |
| PA | O2A | HOA2 | 109.5° | 114.1° |
| O5B | PA | O3 | 93.4° | 109.5° |
| PA | O5B | C5B | 122.6° | 123.0° |
| PA | O3 | PN | 128.7° | 134.0° |
| O5B | C5B | C4B | 109.0° | 109.5° |
| O5B | C5B | H51A | 109.6° | 109.5° |
| O5B | C5B | H52A | 109.7° | 109.5° |
| C4B | C5B | H51A | 109.6° | 109.5° |
| C4B | C5B | H52A | 109.7° | 109.5° |
| C5B | C4B | O4B | 106.9° | 109.9° |
| C5B | C4B | C3B | 118.1° | 109.9° |
| C5B | C4B | H4B | 103.5° | 109.9° |
| H51A | C5B | H52A | 109.1° | 109.5° |
| O4B | C4B | C3B | 102.6° | 107.3° |
| O4B | C4B | H4B | 118.7° | 109.9° |
| C4B | O4B | C1B | 104.2° | 107.0° |
| C3B | C4B | H4B | 107.8° | 110.0° |
| C4B | C3B | O3B | 117.3° | 110.5° |
| C4B | C3B | C2B | 103.3° | 104.2° |
| C4B | C3B | H3B | 110.2° | 110.5° |
| O4B | C1B | C2B | 97.6° | 103.5° |
| O4B | C1B | N9A | 105.5° | 110.6° |
| O4B | C1B | H1B | 122.3° | 110.6° |
| O3B | C3B | C2B | 113.9° | 110.5° |
| O3B | C3B | H3B | 98.7° | 110.4° |
| C3B | O3B | HO3A | 109.5° | 114.0° |
| C2B | C3B | H3B | 113.9° | 110.6° |
| C3B | C2B | O2B | 115.8° | 110.9° |
| C3B | C2B | C1B | 99.1° | 102.1° |
| C3B | C2B | H2B | 115.6° | 110.9° |
| O2B | C2B | C1B | 117.6° | 110.9° |
| O2B | C2B | H2B | 96.2° | 110.8° |
| C2B | O2B | HO2A | 109.5° | 114.0° |
| C1B | C2B | H2B | 113.7° | 110.9° |
| C2B | C1B | N9A | 117.9° | 110.6° |
| C2B | C1B | H1B | 110.8° | 110.5° |
| N9A | C1B | H1B | 103.6° | 110.8° |
| C1B | N9A | C8A | 128.9° | 126.3° |
| C1B | N9A | C4A | 125.4° | 126.2° |
| C8A | N9A | C4A | 105.7° | 107.5° |
| N9A | C8A | N7A | 113.8° | 110.0° |
| N9A | C8A | H8A | 123.1° | 125.0° |
| N9A | C4A | C5A | 105.6° | 106.0° |
| N9A | C4A | N3A | 127.4° | 134.9° |
| N7A | C8A | H8A | 123.1° | 125.0° |
| C8A | N7A | C5A | 103.5° | 109.4° |
| N7A | C5A | C6A | 132.7° | 134.7° |
| N7A | C5A | C4A | 111.3° | 107.2° |
| C6A | C5A | C4A | 116.0° | 118.1° |
| C5A | C6A | N6A | 123.9° | 120.7° |
| C5A | C6A | N1A | 117.7° | 118.5° |
| C5A | C4A | N3A | 126.9° | 119.1° |
| N6A | C6A | N1A | 118.4° | 120.7° |
| C6A | N6A | H61A | 109.5° | 120.0° |
| C6A | N6A | H62A | 109.5° | 120.0° |
| C6A | N1A | C2A | 120.1° | 121.1° |
| H61A | N6A | H62A | 109.5° | 119.9° |
| N1A | C2A | N3A | 125.6° | 122.4° |
| N1A | C2A | H2A | 117.2° | 118.7° |
| N3A | C2A | H2A | 117.2° | 118.8° |
| C2A | N3A | C4A | 113.6° | 120.7° |
| O3 | PN | O1N | 110.2° | 109.5° |
| O3 | PN | O2N | 109.3° | 109.5° |
| O3 | PN | O5D | 108.2° | 109.5° |
| O1N | PN | O2N | 109.0° | 109.4° |
| O1N | PN | O5D | 110.3° | 109.4° |
| O2N | PN | O5D | 109.8° | 109.5° |
| PN | O5D | C5D | 127.4° | 123.1° |
| O5D | C5D | C4D | 126.7° | 109.5° |
| O5D | C5D | H51N | 104.1° | 109.4° |
| O5D | C5D | H52N | 100.0° | 109.4° |
| C4D | C5D | H51N | 104.1° | 109.5° |
| C4D | C5D | H52N | 100.1° | 109.5° |
| C5D | C4D | O4D | 106.7° | 109.9° |
| C5D | C4D | C3D | 107.1° | 109.9° |
| C5D | C4D | H4D | 112.6° | 109.9° |
| H51N | C5D | H52N | 124.3° | 109.4° |
| O4D | C4D | C3D | 108.8° | 107.3° |
| O4D | C4D | H4D | 110.9° | 109.9° |
| C4D | O4D | C1D | 110.1° | 107.0° |
| C3D | C4D | H4D | 110.6° | 110.0° |
| C4D | C3D | O3D | 108.6° | 110.5° |
| C4D | C3D | C2D | 103.9° | 104.2° |
| C4D | C3D | H3D | 115.7° | 110.5° |
| O4D | C1D | C2D | 107.3° | 103.5° |
| O4D | C1D | N1N | 110.8° | 110.6° |
| O4D | C1D | H1D | 112.0° | 110.6° |
| O3D | C3D | C2D | 115.0° | 110.5° |
| O3D | C3D | H3D | 104.7° | 110.4° |
| C3D | O3D | HO3N | 109.5° | 114.0° |
| C2D | C3D | H3D | 109.4° | 110.6° |
| C3D | C2D | O2D | 116.9° | 110.9° |
| C3D | C2D | C1D | 106.6° | 102.1° |
| C3D | C2D | H2D | 106.0° | 110.9° |
| O2D | C2D | C1D | 108.0° | 110.9° |
| O2D | C2D | H2D | 104.5° | 110.8° |
| C2D | O2D | HO2N | 109.5° | 114.0° |
| C1D | C2D | H2D | 115.2° | 111.0° |
| C2D | C1D | N1N | 114.7° | 110.6° |
| C2D | C1D | H1D | 107.9° | 110.6° |
| N1N | C1D | H1D | 104.2° | 110.7° |
| C1D | N1N | C2N | 116.3° | 119.0° |
| C1D | N1N | C6N | 120.4° | 119.1° |
| C2N | N1N | C6N | 123.4° | 121.9° |
| N1N | C2N | C3N | 118.7° | 120.5° |
| N1N | C2N | H2N | 120.6° | 119.7° |
| N1N | C6N | C5N | 114.1° | 121.1° |
| N1N | C6N | H6N | 122.9° | 119.4° |
| C3N | C2N | H2N | 120.7° | 119.8° |
| C2N | C3N | C7N | 127.9° | 120.5° |
| C2N | C3N | C4N | 121.2° | 118.9° |
| C7N | C3N | C4N | 110.8° | 120.6° |
| C3N | C7N | S7N | 116.2° | 120.0° |
| C3N | C7N | N7N | 125.3° | 120.0° |
| C3N | C4N | C5N | 116.8° | 118.3° |
| C3N | C4N | H4N | 121.6° | 120.8° |
| S7N | C7N | N7N | 117.5° | 120.0° |
| C7N | N7N | H71N | 104.4° | 119.9° |
| C7N | N7N | H72N | 127.8° | 120.0° |
| H71N | N7N | H72N | 127.8° | 120.1° |
| C5N | C4N | H4N | 121.6° | 120.9° |
| C4N | C5N | C6N | 125.8° | 119.3° |
| C4N | C5N | H5N | 117.1° | 120.3° |
| C6N | C5N | H5N | 117.1° | 120.3° |
| C5N | C6N | H6N | 123.0° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 123.0° | 120.0° |
| O1A | PA | O2A | O3 | 132.1° | 120.0° |
| O1A | PA | O5B | O3 | 116.4° | 120.1° |
| O1A | PA | O2A | HOA2 | 19.6° | 180.0° |
| O1A | PA | O5B | C5B | 0.9° | 54.9° |
| O1A | PA | O3 | PN | 0.7° | 39.9° |
| O2A | PA | O5B | O3 | 120.1° | 119.9° |
| O2A | PA | O5B | C5B | 122.5° | 65.0° |
| O2A | PA | O3 | PN | 130.5° | 80.1° |
| O5B | PA | O2A | HOA2 | 103.3° | 60.0° |
| PA | O5B | C5B | C4B | 163.6° | 180.0° |
| PA | O5B | C5B | H51A | 43.6° | 60.0° |
| PA | O5B | C5B | H52A | 76.2° | 60.0° |
| O5B | PA | O3 | PN | 114.7° | 160.0° |
| O3 | PA | O2A | HOA2 | 151.7° | 60.0° |
| O3 | PA | O5B | C5B | 117.3° | 175.0° |
| PA | O3 | PN | O1N | 56.9° | 40.1° |
| PA | O3 | PN | O2N | 62.8° | 79.9° |
| PA | O3 | PN | O5D | 177.6° | 160.0° |
| O5B | C5B | C4B | H51A | 120.0° | 120.0° |
| O5B | C5B | C4B | H52A | 120.2° | 120.0° |
| O5B | C5B | H51A | H52A | 120.2° | 120.0° |
| O5B | C5B | C4B | O4B | 86.4° | 66.5° |
| O5B | C5B | C4B | C3B | 28.5° | 175.7° |
| O5B | C5B | C4B | H4B | 147.5° | 54.6° |
| C4B | C5B | H51A | H52A | 120.2° | 120.0° |
| C5B | C4B | O4B | C3B | 124.9° | 119.4° |
| C5B | C4B | O4B | H4B | 116.4° | 121.0° |
| C5B | C4B | C3B | H4B | 116.7° | 121.1° |
| C5B | C4B | O4B | C1B | 160.8° | 145.9° |
| C5B | C4B | C3B | O3B | 115.4° | 119.8° |
| C5B | C4B | C3B | C2B | 118.4° | 121.5° |
| C5B | C4B | C3B | H3B | 3.7° | 2.7° |
| H51A | C5B | C4B | O4B | 153.6° | 53.5° |
| H51A | C5B | C4B | C3B | 91.5° | 64.3° |
| H51A | C5B | C4B | H4B | 27.4° | 174.6° |
| H52A | C5B | C4B | O4B | 33.8° | 173.5° |
| H52A | C5B | C4B | C3B | 148.7° | 55.7° |
| H52A | C5B | C4B | H4B | 92.4° | 65.4° |
| O4B | C4B | C3B | H4B | 126.1° | 119.5° |
| O4B | C4B | C3B | O3B | 127.3° | 120.8° |
| O4B | C4B | C3B | C2B | 1.1° | 2.1° |
| O4B | C4B | C3B | H3B | 120.9° | 116.7° |
| C4B | O4B | C1B | C2B | 56.2° | 40.0° |
| C4B | O4B | C1B | N9A | 178.1° | 158.6° |
| C4B | O4B | C1B | H1B | 64.4° | 78.4° |
| C3B | C4B | O4B | C1B | 35.9° | 26.5° |
| C4B | C3B | O3B | C2B | 120.8° | 114.8° |
| C4B | C3B | O3B | H3B | 118.2° | 122.5° |
| C4B | C3B | C2B | H3B | 119.5° | 118.7° |
| C4B | C3B | O3B | HO3A | 166.8° | 180.0° |
| C4B | C3B | C2B | O2B | 157.6° | 139.1° |
| C4B | C3B | C2B | C1B | 30.8° | 20.9° |
| C4B | C3B | C2B | H2B | 91.1° | 97.3° |
| H4B | C4B | O4B | C1B | 82.7° | 93.0° |
| H4B | C4B | C3B | O3B | 1.2° | 1.3° |
| H4B | C4B | C3B | C2B | 125.0° | 117.4° |
| H4B | C4B | C3B | H3B | 113.0° | 123.8° |
| O4B | C1B | C2B | C3B | 52.6° | 37.0° |
| O4B | C1B | C2B | O2B | 178.1° | 155.2° |
| O4B | C1B | C2B | N9A | 112.1° | 118.5° |
| O4B | C1B | C2B | H1B | 128.8° | 118.4° |
| O4B | C1B | C2B | H2B | 70.7° | 81.2° |
| O4B | C1B | N9A | H1B | 129.6° | 123.0° |
| O4B | C1B | N9A | C8A | 54.3° | 23.6° |
| O4B | C1B | N9A | C4A | 125.2° | 156.7° |
| O3B | C3B | C2B | H3B | 112.1° | 122.6° |
| O3B | C3B | C2B | O2B | 29.2° | 20.4° |
| O3B | C3B | C2B | C1B | 97.6° | 97.8° |
| O3B | C3B | C2B | H2B | 140.5° | 144.0° |
| C2B | C3B | O3B | HO3A | 46.0° | 65.2° |
| C3B | C2B | O2B | C1B | 116.7° | 112.8° |
| C3B | C2B | O2B | H2B | 122.4° | 123.6° |
| C3B | C2B | C1B | H2B | 123.3° | 118.2° |
| C3B | C2B | O2B | HO2A | 153.9° | 61.4° |
| C3B | C2B | C1B | N9A | 164.7° | 155.5° |
| C3B | C2B | C1B | H1B | 76.2° | 81.4° |
| H3B | C3B | O3B | HO3A | 75.0° | 57.5° |
| H3B | C3B | C2B | O2B | 82.9° | 102.2° |
| H3B | C3B | C2B | C1B | 150.3° | 139.6° |
| H3B | C3B | C2B | H2B | 28.4° | 21.4° |
| O2B | C2B | C1B | H2B | 111.2° | 123.6° |
| O2B | C2B | C1B | N9A | 69.8° | 86.3° |
| O2B | C2B | C1B | H1B | 49.2° | 36.8° |
| C1B | C2B | O2B | HO2A | 89.3° | 174.2° |
| C2B | C1B | N9A | H1B | 122.8° | 122.9° |
| C2B | C1B | N9A | C8A | 53.4° | 90.5° |
| C2B | C1B | N9A | C4A | 127.1° | 89.2° |
| H2B | C2B | O2B | HO2A | 31.6° | 62.2° |
| H2B | C2B | C1B | N9A | 41.5° | 37.3° |
| H2B | C2B | C1B | H1B | 160.5° | 160.4° |
| C1B | N9A | C8A | C4A | 179.6° | 179.8° |
| C1B | N9A | C8A | N7A | 179.6° | 179.9° |
| C1B | N9A | C8A | H8A | 0.4° | 0.0° |
| C1B | N9A | C4A | C5A | 179.6° | 179.8° |
| C1B | N9A | C4A | N3A | 0.3° | 0.8° |
| H1B | C1B | N9A | C8A | 176.1° | 146.6° |
| H1B | C1B | N9A | C4A | 4.3° | 33.7° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 0.0° | 0.1° |
| C8A | N9A | C4A | C5A | 0.1° | 0.4° |
| C8A | N9A | C4A | N3A | 179.9° | 179.4° |
| C4A | N9A | C8A | N7A | 0.1° | 0.3° |
| C4A | N9A | C8A | H8A | 180.0° | 179.8° |
| N9A | C4A | C5A | N7A | 0.0° | 0.4° |
| N9A | C4A | C5A | C6A | 179.8° | 179.8° |
| N9A | C4A | C5A | N3A | 179.9° | 179.2° |
| N9A | C4A | N3A | C2A | 179.9° | 179.6° |
| C8A | N7A | C5A | C6A | 179.9° | 180.0° |
| C8A | N7A | C5A | C4A | 0.0° | 0.2° |
| H8A | C8A | N7A | C5A | 180.0° | 180.0° |
| N7A | C5A | C6A | C4A | 179.9° | 179.8° |
| N7A | C5A | C6A | N6A | 0.0° | 0.1° |
| N7A | C5A | C6A | N1A | 179.9° | 180.0° |
| N7A | C5A | C4A | N3A | 179.9° | 179.6° |
| C5A | C6A | N6A | N1A | 179.9° | 180.0° |
| C5A | C6A | N6A | H61A | 92.9° | 0.0° |
| C5A | C6A | N6A | H62A | 27.1° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.0° |
| C6A | C5A | C4A | N3A | 0.0° | 0.6° |
| C4A | C5A | C6A | N6A | 179.9° | 179.7° |
| C4A | C5A | C6A | N1A | 0.1° | 0.2° |
| C5A | C4A | N3A | C2A | 0.0° | 0.6° |
| C6A | N6A | H61A | H62A | 120.0° | 180.0° |
| N6A | C6A | N1A | C2A | 179.9° | 180.0° |
| N1A | C6A | N6A | H61A | 87.1° | 180.0° |
| N1A | C6A | N6A | H62A | 152.9° | 0.0° |
| C6A | N1A | C2A | N3A | 0.0° | 0.0° |
| C6A | N1A | C2A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.0° | 0.4° |
| H2A | C2A | N3A | C4A | 179.9° | 179.6° |
| O3 | PN | O1N | O2N | 119.9° | 120.0° |
| O3 | PN | O1N | O5D | 119.4° | 120.0° |
| O3 | PN | O2N | O5D | 118.6° | 120.0° |
| O3 | PN | O5D | C5D | 73.8° | 175.0° |
| O1N | PN | O2N | O5D | 121.0° | 120.0° |
| O1N | PN | O5D | C5D | 46.8° | 55.0° |
| O2N | PN | O5D | C5D | 167.0° | 65.0° |
| PN | O5D | C5D | C4D | 179.6° | 180.0° |
| PN | O5D | C5D | H51N | 59.6° | 59.9° |
| PN | O5D | C5D | H52N | 69.7° | 60.0° |
| O5D | C5D | C4D | H51N | 120.0° | 120.0° |
| O5D | C5D | C4D | H52N | 110.7° | 120.0° |
| O5D | C5D | H51N | H52N | 112.9° | 119.9° |
| O5D | C5D | C4D | O4D | 14.5° | 66.5° |
| O5D | C5D | C4D | C3D | 102.0° | 175.7° |
| O5D | C5D | C4D | H4D | 136.3° | 54.6° |
| C4D | C5D | H51N | H52N | 112.9° | 120.0° |
| C5D | C4D | O4D | C3D | 115.2° | 119.4° |
| C5D | C4D | O4D | H4D | 122.9° | 121.0° |
| C5D | C4D | C3D | H4D | 123.0° | 121.1° |
| C5D | C4D | O4D | C1D | 116.0° | 145.9° |
| C5D | C4D | C3D | O3D | 132.5° | 119.9° |
| C5D | C4D | C3D | C2D | 104.7° | 121.4° |
| C5D | C4D | C3D | H3D | 15.2° | 2.6° |
| H51N | C5D | C4D | O4D | 134.4° | 53.5° |
| H51N | C5D | C4D | C3D | 18.0° | 64.3° |
| H51N | C5D | C4D | H4D | 103.7° | 174.6° |
| H52N | C5D | C4D | O4D | 96.2° | 173.6° |
| H52N | C5D | C4D | C3D | 147.4° | 55.8° |
| H52N | C5D | C4D | H4D | 25.7° | 65.4° |
| O4D | C4D | C3D | H4D | 122.1° | 119.5° |
| O4D | C4D | C3D | O3D | 112.5° | 120.7° |
| O4D | C4D | C3D | C2D | 10.3° | 2.0° |
| O4D | C4D | C3D | H3D | 130.2° | 116.8° |
| C4D | O4D | C1D | C2D | 11.8° | 40.1° |
| C4D | O4D | C1D | N1N | 137.8° | 158.6° |
| C4D | O4D | C1D | H1D | 106.4° | 78.4° |
| C3D | C4D | O4D | C1D | 0.8° | 26.5° |
| C4D | C3D | O3D | C2D | 115.8° | 114.8° |
| C4D | C3D | O3D | H3D | 124.1° | 122.5° |
| C4D | C3D | C2D | H3D | 124.1° | 118.7° |
| C4D | C3D | O3D | HO3N | 61.8° | 180.0° |
| C4D | C3D | C2D | O2D | 137.9° | 139.1° |
| C4D | C3D | C2D | C1D | 17.0° | 20.9° |
| C4D | C3D | C2D | H2D | 106.2° | 97.4° |
| H4D | C4D | O4D | C1D | 121.1° | 93.0° |
| H4D | C4D | C3D | O3D | 9.5° | 1.2° |
| H4D | C4D | C3D | C2D | 132.3° | 117.5° |
| H4D | C4D | C3D | H3D | 107.8° | 123.7° |
| O4D | C1D | C2D | C3D | 18.2° | 37.1° |
| O4D | C1D | C2D | O2D | 144.5° | 155.2° |
| O4D | C1D | C2D | N1N | 123.5° | 118.5° |
| O4D | C1D | C2D | H1D | 120.9° | 118.5° |
| O4D | C1D | C2D | H2D | 99.1° | 81.2° |
| O4D | C1D | N1N | H1D | 120.6° | 122.9° |
| O4D | C1D | N1N | C2N | 123.9° | 141.5° |
| O4D | C1D | N1N | C6N | 56.1° | 38.3° |
| O3D | C3D | C2D | H3D | 117.4° | 122.6° |
| O3D | C3D | C2D | O2D | 19.4° | 20.4° |
| O3D | C3D | C2D | C1D | 101.5° | 97.8° |
| O3D | C3D | C2D | H2D | 135.3° | 143.9° |
| C2D | C3D | O3D | HO3N | 177.6° | 65.2° |
| C3D | C2D | O2D | C1D | 120.1° | 112.7° |
| C3D | C2D | O2D | H2D | 116.8° | 123.6° |
| C3D | C2D | C1D | H2D | 117.3° | 118.2° |
| C3D | C2D | O2D | HO2N | 4.9° | 61.4° |
| C3D | C2D | C1D | N1N | 141.7° | 155.5° |
| C3D | C2D | C1D | H1D | 102.7° | 81.4° |
| H3D | C3D | O3D | HO3N | 62.4° | 57.5° |
| H3D | C3D | C2D | O2D | 98.0° | 102.2° |
| H3D | C3D | C2D | C1D | 141.1° | 139.6° |
| H3D | C3D | C2D | H2D | 17.9° | 21.3° |
| O2D | C2D | C1D | H2D | 116.4° | 123.6° |
| O2D | C2D | C1D | N1N | 91.9° | 86.3° |
| O2D | C2D | C1D | H1D | 23.7° | 36.7° |
| C1D | C2D | O2D | HO2N | 125.0° | 174.1° |
| C2D | C1D | N1N | H1D | 117.7° | 123.0° |
| C2D | C1D | N1N | C2N | 114.4° | 104.5° |
| C2D | C1D | N1N | C6N | 65.6° | 75.7° |
| H2D | C2D | O2D | HO2N | 111.9° | 62.2° |
| H2D | C2D | C1D | N1N | 24.4° | 37.3° |
| H2D | C2D | C1D | H1D | 140.0° | 160.3° |
| C1D | N1N | C2N | C6N | 179.9° | 179.8° |
| C1D | N1N | C2N | C3N | 179.9° | 180.0° |
| C1D | N1N | C2N | H2N | 0.1° | 0.1° |
| C1D | N1N | C6N | C5N | 179.9° | 179.7° |
| C1D | N1N | C6N | H6N | 0.1° | 0.0° |
| H1D | C1D | N1N | C2N | 3.3° | 18.6° |
| H1D | C1D | N1N | C6N | 176.7° | 161.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.9° |
| N1N | C2N | C3N | C7N | 179.9° | 180.0° |
| N1N | C2N | C3N | C4N | 0.0° | 0.0° |
| C2N | N1N | C6N | C5N | 0.0° | 0.5° |
| C2N | N1N | C6N | H6N | 180.0° | 179.8° |
| C6N | N1N | C2N | C3N | 0.0° | 0.2° |
| C6N | N1N | C2N | H2N | 180.0° | 179.7° |
| N1N | C6N | C5N | C4N | 0.0° | 0.4° |
| N1N | C6N | C5N | H6N | 180.0° | 179.8° |
| N1N | C6N | C5N | H5N | 180.0° | 179.7° |
| C2N | C3N | C7N | C4N | 179.9° | 180.0° |
| C2N | C3N | C7N | S7N | 1.7° | 35.0° |
| C2N | C3N | C7N | N7N | 169.9° | 145.0° |
| C2N | C3N | C4N | C5N | 0.0° | 0.1° |
| C2N | C3N | C4N | H4N | 180.0° | 180.0° |
| H2N | C2N | C3N | C7N | 0.1° | 0.0° |
| H2N | C2N | C3N | C4N | 180.0° | 180.0° |
| C3N | C7N | S7N | N7N | 169.2° | 180.0° |
| C3N | C7N | N7N | H71N | 6.8° | 0.1° |
| C3N | C7N | N7N | H72N | 173.2° | 180.0° |
| C7N | C3N | C4N | C5N | 179.9° | 180.0° |
| C7N | C3N | C4N | H4N | 0.2° | 0.0° |
| C4N | C3N | C7N | S7N | 178.2° | 145.0° |
| C4N | C3N | C7N | N7N | 9.9° | 35.0° |
| C3N | C4N | C5N | H4N | 180.0° | 180.0° |
| C3N | C4N | C5N | C6N | 0.0° | 0.2° |
| C3N | C4N | C5N | H5N | 180.0° | 179.9° |
| S7N | C7N | N7N | H71N | 175.0° | 180.0° |
| S7N | C7N | N7N | H72N | 5.1° | 0.1° |
| C7N | N7N | H71N | H72N | 180.0° | 179.9° |
| C4N | C5N | C6N | H5N | 180.0° | 179.9° |
| C4N | C5N | C6N | H6N | 180.0° | 179.8° |
| H4N | C4N | C5N | C6N | 179.9° | 179.8° |
| H4N | C4N | C5N | H5N | 0.0° | 0.1° |
| H5N | C5N | C6N | H6N | 0.0° | 0.1° |
