NAJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.55Å | 1.47Å | |
| PA | O2A | sing | 1.54Å | 1.48Å | |
| PA | O5B | sing | 1.61Å | 1.57Å | |
| PA | O3 | sing | 1.61Å | 1.59Å | |
| O5B | C5B | sing | 1.43Å | 1.46Å | |
| C5B | C4B | sing | 1.53Å | 1.49Å | |
| C5B | H51A | sing | 1.09Å | 1.10Å | |
| C5B | H52A | sing | 1.09Å | 1.10Å | |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| O4B | C1B | sing | 1.44Å | 1.40Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| C3B | C2B | sing | 1.55Å | 1.54Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.40Å | |
| C2B | C1B | sing | 1.55Å | 1.53Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.47Å | 1.44Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| N9A | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.36Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.32Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| N7A | C5A | sing | 1.35Å | 1.37Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.44Å | 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 | 1.00Å | |
| N6A | H62A | sing | 0.97Å | 1.00Å | |
| N1A | C2A | sing | 1.32Å | 1.36Å | Aromatic |
| N1A | H1A | sing | 0.97Å | 1.00Å | |
| C2A | N3A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N3A | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.62Å | |
| PN | O1N | doub | 1.55Å | 1.49Å | |
| PN | O2N | sing | 1.55Å | 1.46Å | |
| PN | O5D | sing | 1.61Å | 1.59Å | |
| O5D | C5D | sing | 1.43Å | 1.45Å | |
| 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 | 1.55Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | C1D | sing | 1.44Å | 1.42Å | |
| C3D | O3D | sing | 1.43Å | 1.42Å | |
| C3D | C2D | sing | 1.55Å | 1.53Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.40Å | |
| C2D | C1D | sing | 1.55Å | 1.54Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.47Å | 1.46Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| N1N | C2N | sing | 1.32Å | 1.36Å | Aromatic |
| N1N | C6N | doub | 1.32Å | 1.39Å | Aromatic |
| C2N | C3N | doub | 1.39Å | 1.36Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| C3N | C7N | sing | 1.48Å | 1.45Å | |
| C3N | C4N | sing | 1.40Å | 1.54Å | Aromatic |
| C7N | O7N | doub | 1.22Å | 1.25Å | |
| C7N | N7N | sing | 1.35Å | 1.34Å | |
| N7N | H71N | sing | 0.97Å | 1.00Å | |
| N7N | H72N | sing | 0.97Å | 1.00Å | |
| C4N | C5N | doub | 1.38Å | 1.50Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5N | C6N | sing | 1.38Å | 1.34Å | 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 | 118.2° | 109.5° |
| O1A | PA | O5B | 111.5° | 109.5° |
| O1A | PA | O3 | 106.4° | 109.5° |
| O2A | PA | O5B | 105.6° | 109.5° |
| O2A | PA | O3 | 110.3° | 109.5° |
| O5B | PA | O3 | 104.1° | 109.5° |
| PA | O5B | C5B | 123.1° | 123.0° |
| PA | O3 | PN | 135.8° | 134.0° |
| O5B | C5B | C4B | 108.6° | 109.4° |
| O5B | C5B | H51A | 109.8° | 109.4° |
| O5B | C5B | H52A | 110.0° | 109.5° |
| C4B | C5B | H51A | 109.8° | 109.5° |
| C4B | C5B | H52A | 110.0° | 109.5° |
| C5B | C4B | O4B | 107.0° | 109.9° |
| C5B | C4B | C3B | 115.5° | 109.9° |
| C5B | C4B | H4B | 106.4° | 109.9° |
| H51A | C5B | H52A | 108.8° | 109.5° |
| O4B | C4B | C3B | 107.3° | 107.3° |
| O4B | C4B | H4B | 114.7° | 109.9° |
| C4B | O4B | C1B | 107.8° | 107.0° |
| C3B | C4B | H4B | 106.1° | 110.0° |
| C4B | C3B | O3B | 112.6° | 110.5° |
| C4B | C3B | C2B | 104.3° | 104.2° |
| C4B | C3B | H3B | 112.0° | 110.5° |
| O4B | C1B | C2B | 105.3° | 103.5° |
| O4B | C1B | N9A | 108.7° | 110.7° |
| O4B | C1B | H1B | 114.6° | 110.6° |
| O3B | C3B | C2B | 112.6° | 110.5° |
| O3B | C3B | H3B | 103.6° | 110.4° |
| C3B | O3B | HO3A | 109.5° | 114.0° |
| C2B | C3B | H3B | 112.1° | 110.6° |
| C3B | C2B | O2B | 118.9° | 110.9° |
| C3B | C2B | C1B | 100.9° | 102.1° |
| C3B | C2B | H2B | 110.3° | 110.9° |
| O2B | C2B | C1B | 112.5° | 110.9° |
| O2B | C2B | H2B | 98.2° | 110.8° |
| C2B | O2B | HO2A | 109.5° | 114.0° |
| C1B | C2B | H2B | 117.0° | 110.9° |
| C2B | C1B | N9A | 114.7° | 110.6° |
| C2B | C1B | H1B | 108.5° | 110.6° |
| N9A | C1B | H1B | 105.2° | 110.7° |
| C1B | N9A | C8A | 127.1° | 126.2° |
| C1B | N9A | C4A | 126.0° | 126.3° |
| C8A | N9A | C4A | 106.9° | 107.5° |
| N9A | C8A | N7A | 111.3° | 109.9° |
| N9A | C8A | H8A | 124.4° | 125.0° |
| N9A | C4A | C5A | 106.3° | 106.0° |
| N9A | C4A | N3A | 126.0° | 134.9° |
| N7A | C8A | H8A | 124.4° | 125.1° |
| C8A | N7A | C5A | 106.5° | 109.5° |
| N7A | C5A | C6A | 133.7° | 134.8° |
| N7A | C5A | C4A | 109.0° | 107.1° |
| C6A | C5A | C4A | 117.2° | 118.1° |
| C5A | C6A | N6A | 126.1° | 120.7° |
| C5A | C6A | N1A | 113.3° | 118.5° |
| C5A | C4A | N3A | 127.7° | 119.1° |
| N6A | C6A | N1A | 120.5° | 120.8° |
| C6A | N6A | H61A | 110.5° | 120.0° |
| C6A | N6A | H62A | 124.8° | 119.9° |
| C6A | N1A | C2A | 125.0° | 121.2° |
| C6A | N1A | H1A | 117.5° | 119.4° |
| H61A | N6A | H62A | 124.7° | 120.1° |
| C2A | N1A | H1A | 117.5° | 119.4° |
| N1A | C2A | N3A | 124.2° | 122.5° |
| N1A | C2A | H2A | 117.9° | 118.8° |
| N3A | C2A | H2A | 117.9° | 118.7° |
| C2A | N3A | C4A | 112.6° | 120.6° |
| O3 | PN | O1N | 110.4° | 109.5° |
| O3 | PN | O2N | 107.8° | 109.5° |
| O3 | PN | O5D | 97.9° | 109.5° |
| O1N | PN | O2N | 122.1° | 109.4° |
| O1N | PN | O5D | 105.0° | 109.5° |
| O2N | PN | O5D | 110.9° | 109.5° |
| PN | O5D | C5D | 118.1° | 123.0° |
| O5D | C5D | C4D | 108.2° | 109.5° |
| O5D | C5D | H51N | 109.9° | 109.5° |
| O5D | C5D | H52N | 110.2° | 109.4° |
| C4D | C5D | H51N | 109.9° | 109.5° |
| C4D | C5D | H52N | 110.2° | 109.5° |
| C5D | C4D | O4D | 109.8° | 109.8° |
| C5D | C4D | C3D | 115.1° | 109.9° |
| C5D | C4D | H4D | 104.3° | 109.9° |
| H51N | C5D | H52N | 108.4° | 109.4° |
| O4D | C4D | C3D | 106.3° | 107.3° |
| O4D | C4D | H4D | 113.5° | 109.9° |
| C4D | O4D | C1D | 109.6° | 107.0° |
| C3D | C4D | H4D | 108.0° | 110.0° |
| C4D | C3D | O3D | 111.2° | 110.5° |
| C4D | C3D | C2D | 102.5° | 104.2° |
| C4D | C3D | H3D | 111.7° | 110.5° |
| O4D | C1D | C2D | 104.7° | 103.5° |
| O4D | C1D | N1N | 108.6° | 110.6° |
| O4D | C1D | H1D | 115.7° | 110.7° |
| O3D | C3D | C2D | 105.9° | 110.5° |
| O3D | C3D | H3D | 108.6° | 110.4° |
| C3D | O3D | HO3N | 109.5° | 114.0° |
| C2D | C3D | H3D | 116.6° | 110.6° |
| C3D | C2D | O2D | 113.9° | 110.9° |
| C3D | C2D | C1D | 100.3° | 102.1° |
| C3D | C2D | H2D | 113.9° | 110.9° |
| O2D | C2D | C1D | 112.8° | 111.0° |
| O2D | C2D | H2D | 101.6° | 110.8° |
| C2D | O2D | HO2N | 109.5° | 114.0° |
| C1D | C2D | H2D | 115.0° | 110.9° |
| C2D | C1D | N1N | 116.1° | 110.6° |
| C2D | C1D | H1D | 108.1° | 110.6° |
| N1N | C1D | H1D | 104.1° | 110.6° |
| C1D | N1N | C2N | 118.3° | 119.1° |
| C1D | N1N | C6N | 120.0° | 119.1° |
| C2N | N1N | C6N | 119.4° | 121.9° |
| N1N | C2N | C3N | 122.8° | 120.6° |
| N1N | C2N | H2N | 118.6° | 119.7° |
| N1N | C6N | C5N | 120.1° | 121.1° |
| N1N | C6N | H6N | 120.0° | 119.4° |
| C3N | C2N | H2N | 118.6° | 119.7° |
| C2N | C3N | C7N | 123.3° | 120.6° |
| C2N | C3N | C4N | 117.5° | 118.9° |
| C7N | C3N | C4N | 119.2° | 120.5° |
| C3N | C7N | O7N | 118.1° | 119.9° |
| C3N | C7N | N7N | 118.4° | 120.0° |
| C3N | C4N | C5N | 109.4° | 118.3° |
| C3N | C4N | H4N | 125.3° | 120.9° |
| O7N | C7N | N7N | 123.5° | 120.0° |
| C7N | N7N | H71N | 109.9° | 120.0° |
| C7N | N7N | H72N | 125.1° | 120.0° |
| H71N | N7N | H72N | 125.1° | 120.1° |
| C5N | C4N | H4N | 125.3° | 120.8° |
| C4N | C5N | C6N | 121.6° | 119.3° |
| C4N | C5N | H5N | 119.2° | 120.3° |
| C6N | C5N | H5N | 119.2° | 120.4° |
| C5N | C6N | H6N | 120.0° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 125.5° | 120.0° |
| O1A | PA | O2A | O3 | 122.6° | 120.0° |
| O1A | PA | O5B | O3 | 114.3° | 120.0° |
| O1A | PA | O5B | C5B | 29.1° | 55.0° |
| O1A | PA | O3 | PN | 162.9° | 45.0° |
| O2A | PA | O5B | O3 | 116.2° | 120.0° |
| O2A | PA | O5B | C5B | 158.6° | 65.0° |
| O2A | PA | O3 | PN | 33.7° | 75.0° |
| PA | O5B | C5B | C4B | 138.0° | 180.0° |
| PA | O5B | C5B | H51A | 102.0° | 60.1° |
| PA | O5B | C5B | H52A | 17.6° | 60.0° |
| O5B | PA | O3 | PN | 79.2° | 165.0° |
| O3 | PA | O5B | C5B | 85.2° | 175.0° |
| PA | O3 | PN | O1N | 95.1° | 40.0° |
| PA | O3 | PN | O2N | 40.6° | 79.9° |
| PA | O3 | PN | O5D | 155.6° | 160.0° |
| O5B | C5B | C4B | H51A | 120.0° | 119.9° |
| O5B | C5B | C4B | H52A | 120.4° | 120.0° |
| O5B | C5B | H51A | H52A | 120.4° | 120.0° |
| O5B | C5B | C4B | O4B | 178.8° | 66.5° |
| O5B | C5B | C4B | C3B | 61.8° | 175.7° |
| O5B | C5B | C4B | H4B | 55.7° | 54.6° |
| C4B | C5B | H51A | H52A | 120.4° | 120.0° |
| C5B | C4B | O4B | C3B | 124.6° | 119.4° |
| C5B | C4B | O4B | H4B | 117.8° | 121.1° |
| C5B | C4B | C3B | H4B | 117.6° | 121.1° |
| C5B | C4B | O4B | C1B | 145.5° | 145.9° |
| C5B | C4B | C3B | O3B | 121.6° | 119.9° |
| C5B | C4B | C3B | C2B | 116.0° | 121.5° |
| C5B | C4B | C3B | H3B | 5.4° | 2.6° |
| H51A | C5B | C4B | O4B | 58.8° | 53.5° |
| H51A | C5B | C4B | C3B | 178.2° | 64.3° |
| H51A | C5B | C4B | H4B | 64.3° | 174.6° |
| H52A | C5B | C4B | O4B | 60.8° | 173.5° |
| H52A | C5B | C4B | C3B | 58.6° | 55.7° |
| H52A | C5B | C4B | H4B | 176.1° | 65.4° |
| O4B | C4B | C3B | H4B | 123.1° | 119.5° |
| O4B | C4B | C3B | O3B | 119.1° | 120.7° |
| O4B | C4B | C3B | C2B | 3.2° | 2.0° |
| O4B | C4B | C3B | H3B | 124.6° | 116.8° |
| C4B | O4B | C1B | C2B | 36.9° | 40.0° |
| C4B | O4B | C1B | N9A | 160.3° | 158.6° |
| C4B | O4B | C1B | H1B | 82.3° | 78.4° |
| C3B | C4B | O4B | C1B | 20.9° | 26.5° |
| C4B | C3B | O3B | C2B | 117.5° | 114.8° |
| C4B | C3B | O3B | H3B | 121.2° | 122.5° |
| C4B | C3B | C2B | H3B | 121.4° | 118.8° |
| C4B | C3B | O3B | HO3A | 125.9° | 180.0° |
| C4B | C3B | C2B | O2B | 146.8° | 139.1° |
| C4B | C3B | C2B | C1B | 23.4° | 20.9° |
| C4B | C3B | C2B | H2B | 101.0° | 97.3° |
| H4B | C4B | O4B | C1B | 96.7° | 93.0° |
| H4B | C4B | C3B | O3B | 4.0° | 1.2° |
| H4B | C4B | C3B | C2B | 126.3° | 117.5° |
| H4B | C4B | C3B | H3B | 112.3° | 123.7° |
| O4B | C1B | C2B | C3B | 36.9° | 37.0° |
| O4B | C1B | C2B | O2B | 164.7° | 155.2° |
| O4B | C1B | C2B | N9A | 119.5° | 118.5° |
| O4B | C1B | C2B | H1B | 123.2° | 118.5° |
| O4B | C1B | C2B | H2B | 82.7° | 81.2° |
| O4B | C1B | N9A | H1B | 123.2° | 123.0° |
| O4B | C1B | N9A | C8A | 76.9° | 23.6° |
| O4B | C1B | N9A | C4A | 102.6° | 156.7° |
| O3B | C3B | C2B | H3B | 116.3° | 122.6° |
| O3B | C3B | C2B | O2B | 24.5° | 20.4° |
| O3B | C3B | C2B | C1B | 99.0° | 97.8° |
| O3B | C3B | C2B | H2B | 136.6° | 144.0° |
| C2B | C3B | O3B | HO3A | 116.5° | 65.2° |
| C3B | C2B | O2B | C1B | 117.6° | 112.7° |
| C3B | C2B | O2B | H2B | 118.7° | 123.6° |
| C3B | C2B | C1B | H2B | 119.7° | 118.2° |
| C3B | C2B | O2B | HO2A | 119.3° | 61.5° |
| C3B | C2B | C1B | N9A | 156.5° | 155.5° |
| C3B | C2B | C1B | H1B | 86.2° | 81.5° |
| H3B | C3B | O3B | HO3A | 4.7° | 57.5° |
| H3B | C3B | C2B | O2B | 91.8° | 102.2° |
| H3B | C3B | C2B | C1B | 144.8° | 139.6° |
| H3B | C3B | C2B | H2B | 20.4° | 21.4° |
| O2B | C2B | C1B | H2B | 112.6° | 123.6° |
| O2B | C2B | C1B | N9A | 75.8° | 86.2° |
| O2B | C2B | C1B | H1B | 41.6° | 36.7° |
| C1B | C2B | O2B | HO2A | 1.8° | 174.2° |
| C2B | C1B | N9A | H1B | 119.2° | 122.9° |
| C2B | C1B | N9A | C8A | 40.8° | 90.5° |
| C2B | C1B | N9A | C4A | 139.7° | 89.2° |
| H2B | C2B | O2B | HO2A | 122.0° | 62.2° |
| H2B | C2B | C1B | N9A | 36.8° | 37.3° |
| H2B | C2B | C1B | H1B | 154.1° | 160.3° |
| C1B | N9A | C8A | C4A | 179.6° | 179.7° |
| C1B | N9A | C8A | N7A | 177.4° | 180.0° |
| C1B | N9A | C8A | H8A | 2.6° | 0.1° |
| C1B | N9A | C4A | C5A | 179.0° | 179.9° |
| C1B | N9A | C4A | N3A | 0.9° | 0.7° |
| H1B | C1B | N9A | C8A | 160.0° | 146.6° |
| H1B | C1B | N9A | C4A | 20.5° | 33.7° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 2.8° | 0.1° |
| C8A | N9A | C4A | C5A | 0.6° | 0.4° |
| C8A | N9A | C4A | N3A | 178.7° | 179.5° |
| C4A | N9A | C8A | N7A | 2.2° | 0.3° |
| C4A | N9A | C8A | H8A | 177.8° | 179.8° |
| N9A | C4A | C5A | N7A | 1.1° | 0.4° |
| N9A | C4A | C5A | C6A | 178.9° | 179.8° |
| N9A | C4A | C5A | N3A | 178.0° | 179.3° |
| N9A | C4A | N3A | C2A | 177.8° | 179.6° |
| C8A | N7A | C5A | C6A | 179.8° | 180.0° |
| C8A | N7A | C5A | C4A | 2.4° | 0.2° |
| H8A | C8A | N7A | C5A | 177.2° | 180.0° |
| N7A | C5A | C6A | C4A | 177.2° | 179.7° |
| N7A | C5A | C6A | N6A | 7.3° | 0.0° |
| N7A | C5A | C6A | N1A | 176.4° | 180.0° |
| N7A | C5A | C4A | N3A | 176.9° | 179.7° |
| C5A | C6A | N6A | N1A | 176.0° | 180.0° |
| C5A | C6A | N6A | H61A | 180.0° | 0.0° |
| C5A | C6A | N6A | H62A | 0.0° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.1° |
| C5A | C6A | N1A | H1A | 179.9° | 179.9° |
| C6A | C5A | C4A | N3A | 0.9° | 0.5° |
| C4A | C5A | C6A | N6A | 175.4° | 179.7° |
| C4A | C5A | C6A | N1A | 0.8° | 0.2° |
| C5A | C4A | N3A | C2A | 0.1° | 0.5° |
| C6A | N6A | H61A | H62A | 180.0° | 180.0° |
| N6A | C6A | N1A | C2A | 176.4° | 180.0° |
| N6A | C6A | N1A | H1A | 3.6° | 0.1° |
| N1A | C6A | N6A | H61A | 4.0° | 180.0° |
| N1A | C6A | N6A | H62A | 176.0° | 0.0° |
| C6A | N1A | C2A | H1A | 180.0° | 179.9° |
| C6A | N1A | C2A | N3A | 0.8° | 0.1° |
| C6A | N1A | C2A | H2A | 179.2° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.7° | 0.2° |
| H1A | N1A | C2A | N3A | 179.2° | 179.9° |
| H1A | N1A | C2A | H2A | 0.8° | 0.2° |
| H2A | C2A | N3A | C4A | 179.2° | 179.7° |
| O3 | PN | O1N | O2N | 128.2° | 120.0° |
| O3 | PN | O1N | O5D | 104.5° | 120.0° |
| O3 | PN | O2N | O5D | 106.1° | 120.0° |
| O3 | PN | O5D | C5D | 66.9° | 174.9° |
| O1N | PN | O2N | O5D | 124.6° | 120.0° |
| O1N | PN | O5D | C5D | 179.4° | 55.0° |
| O2N | PN | O5D | C5D | 45.6° | 65.0° |
| PN | O5D | C5D | C4D | 169.1° | 180.0° |
| PN | O5D | C5D | H51N | 49.1° | 59.9° |
| PN | O5D | C5D | H52N | 70.4° | 60.0° |
| O5D | C5D | C4D | H51N | 120.0° | 120.0° |
| O5D | C5D | C4D | H52N | 120.5° | 120.0° |
| O5D | C5D | H51N | H52N | 120.5° | 119.9° |
| O5D | C5D | C4D | O4D | 68.7° | 66.5° |
| O5D | C5D | C4D | C3D | 51.1° | 175.7° |
| O5D | C5D | C4D | H4D | 169.3° | 54.5° |
| C4D | C5D | H51N | H52N | 120.5° | 120.0° |
| C5D | C4D | O4D | C3D | 125.1° | 119.4° |
| C5D | C4D | O4D | H4D | 116.3° | 121.0° |
| C5D | C4D | C3D | H4D | 116.1° | 121.1° |
| C5D | C4D | O4D | C1D | 129.7° | 145.9° |
| C5D | C4D | C3D | O3D | 146.4° | 119.9° |
| C5D | C4D | C3D | C2D | 100.8° | 121.4° |
| C5D | C4D | C3D | H3D | 24.8° | 2.6° |
| H51N | C5D | C4D | O4D | 171.2° | 53.5° |
| H51N | C5D | C4D | C3D | 68.9° | 64.3° |
| H51N | C5D | C4D | H4D | 49.3° | 174.5° |
| H52N | C5D | C4D | O4D | 51.8° | 173.5° |
| H52N | C5D | C4D | C3D | 171.7° | 55.7° |
| H52N | C5D | C4D | H4D | 70.1° | 65.5° |
| O4D | C4D | C3D | H4D | 122.1° | 119.5° |
| O4D | C4D | C3D | O3D | 91.8° | 120.8° |
| O4D | C4D | C3D | C2D | 21.0° | 2.1° |
| O4D | C4D | C3D | H3D | 146.6° | 116.7° |
| C4D | O4D | C1D | C2D | 28.5° | 40.1° |
| C4D | O4D | C1D | N1N | 153.1° | 158.6° |
| C4D | O4D | C1D | H1D | 90.3° | 78.4° |
| C3D | C4D | O4D | C1D | 4.6° | 26.6° |
| C4D | C3D | O3D | C2D | 110.6° | 114.8° |
| C4D | C3D | O3D | H3D | 123.4° | 122.5° |
| C4D | C3D | C2D | H3D | 122.4° | 118.7° |
| C4D | C3D | O3D | HO3N | 3.2° | 180.0° |
| C4D | C3D | C2D | O2D | 156.9° | 139.1° |
| C4D | C3D | C2D | C1D | 36.2° | 20.8° |
| C4D | C3D | C2D | H2D | 87.2° | 97.4° |
| H4D | C4D | O4D | C1D | 114.0° | 93.0° |
| H4D | C4D | C3D | O3D | 30.3° | 1.2° |
| H4D | C4D | C3D | C2D | 143.1° | 117.5° |
| H4D | C4D | C3D | H3D | 91.4° | 123.7° |
| O4D | C1D | C2D | C3D | 40.2° | 37.0° |
| O4D | C1D | C2D | O2D | 161.8° | 155.3° |
| O4D | C1D | C2D | N1N | 119.7° | 118.5° |
| O4D | C1D | C2D | H1D | 123.8° | 118.6° |
| O4D | C1D | C2D | H2D | 82.3° | 81.2° |
| O4D | C1D | N1N | H1D | 123.8° | 123.0° |
| O4D | C1D | N1N | C2N | 95.1° | 141.5° |
| O4D | C1D | N1N | C6N | 67.3° | 38.3° |
| O3D | C3D | C2D | H3D | 121.0° | 122.6° |
| O3D | C3D | C2D | O2D | 40.2° | 20.4° |
| O3D | C3D | C2D | C1D | 80.5° | 97.8° |
| O3D | C3D | C2D | H2D | 156.1° | 144.0° |
| C2D | C3D | O3D | HO3N | 113.9° | 65.2° |
| C3D | C2D | O2D | C1D | 113.4° | 112.7° |
| C3D | C2D | O2D | H2D | 122.9° | 123.6° |
| C3D | C2D | C1D | H2D | 122.6° | 118.2° |
| C3D | C2D | O2D | HO2N | 54.5° | 61.4° |
| C3D | C2D | C1D | N1N | 159.9° | 155.5° |
| C3D | C2D | C1D | H1D | 83.6° | 81.5° |
| H3D | C3D | O3D | HO3N | 120.2° | 57.5° |
| H3D | C3D | C2D | O2D | 80.8° | 102.2° |
| H3D | C3D | C2D | C1D | 158.5° | 139.6° |
| H3D | C3D | C2D | H2D | 35.1° | 21.4° |
| O2D | C2D | C1D | H2D | 115.9° | 123.6° |
| O2D | C2D | C1D | N1N | 78.6° | 86.3° |
| O2D | C2D | C1D | H1D | 37.9° | 36.7° |
| C1D | C2D | O2D | HO2N | 58.9° | 174.1° |
| C2D | C1D | N1N | H1D | 118.7° | 122.9° |
| C2D | C1D | N1N | C2N | 147.4° | 104.4° |
| C2D | C1D | N1N | C6N | 50.2° | 75.8° |
| H2D | C2D | O2D | HO2N | 177.4° | 62.2° |
| H2D | C2D | C1D | N1N | 37.4° | 37.3° |
| H2D | C2D | C1D | H1D | 153.8° | 160.3° |
| C1D | N1N | C2N | C6N | 162.6° | 179.8° |
| C1D | N1N | C2N | C3N | 178.3° | 179.9° |
| C1D | N1N | C2N | H2N | 1.7° | 0.0° |
| C1D | N1N | C6N | C5N | 178.8° | 179.7° |
| C1D | N1N | C6N | H6N | 1.2° | 0.1° |
| H1D | C1D | N1N | C2N | 28.7° | 18.5° |
| H1D | C1D | N1N | C6N | 168.9° | 161.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.9° |
| N1N | C2N | C3N | C7N | 173.3° | 180.0° |
| N1N | C2N | C3N | C4N | 8.7° | 0.1° |
| C2N | N1N | C6N | C5N | 16.5° | 0.5° |
| C2N | N1N | C6N | H6N | 163.5° | 179.7° |
| C6N | N1N | C2N | C3N | 15.8° | 0.3° |
| C6N | N1N | C2N | H2N | 164.3° | 179.8° |
| N1N | C6N | C5N | C4N | 7.9° | 0.4° |
| N1N | C6N | C5N | H6N | 180.0° | 179.8° |
| N1N | C6N | C5N | H5N | 172.1° | 179.8° |
| C2N | C3N | C7N | C4N | 177.9° | 179.9° |
| C2N | C3N | C7N | O7N | 167.9° | 0.0° |
| C2N | C3N | C7N | N7N | 12.0° | 180.0° |
| C2N | C3N | C4N | C5N | 29.1° | 0.0° |
| C2N | C3N | C4N | H4N | 150.9° | 179.9° |
| H2N | C2N | C3N | C7N | 6.7° | 0.1° |
| H2N | C2N | C3N | C4N | 171.3° | 180.0° |
| C3N | C7N | O7N | N7N | 179.9° | 180.0° |
| C3N | C7N | N7N | H71N | 0.0° | 0.0° |
| C3N | C7N | N7N | H72N | 179.9° | 180.0° |
| C7N | C3N | C4N | C5N | 152.8° | 180.0° |
| C7N | C3N | C4N | H4N | 27.1° | 0.0° |
| C4N | C3N | C7N | O7N | 10.0° | 179.9° |
| C4N | C3N | C7N | N7N | 170.1° | 0.0° |
| C3N | C4N | C5N | H4N | 180.0° | 180.0° |
| C3N | C4N | C5N | C6N | 29.3° | 0.2° |
| C3N | C4N | C5N | H5N | 150.7° | 180.0° |
| O7N | C7N | N7N | H71N | 179.9° | 179.9° |
| O7N | C7N | N7N | H72N | 0.0° | 0.0° |
| C7N | N7N | H71N | H72N | 180.0° | 180.0° |
| C4N | C5N | C6N | H5N | 180.0° | 179.8° |
| C4N | C5N | C6N | H6N | 172.1° | 179.8° |
| H4N | C4N | C5N | C6N | 150.7° | 179.8° |
| H4N | C4N | C5N | H5N | 29.2° | 0.0° |
| H5N | C5N | C6N | H6N | 7.9° | 0.0° |
