9XR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3D | C3D | sing | 1.43Å | 1.42Å | |
| C4D | O4D | sing | 1.44Å | 1.43Å | |
| C4D | C3D | sing | 1.55Å | 1.51Å | |
| C4D | C5D | sing | 1.53Å | 1.53Å | |
| O4D | C1D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.55Å | 1.51Å | |
| O2D | C2D | sing | 1.43Å | 1.41Å | |
| C5D | O5D | sing | 1.43Å | 1.42Å | |
| O5D | PN | sing | 1.61Å | 1.60Å | |
| N8N | C1D | sing | 1.46Å | 1.44Å | |
| N8N | C1N | sing | 1.40Å | 1.37Å | |
| C2D | C1D | sing | 1.54Å | 1.54Å | |
| C1N | C6N | doub | 1.39Å | 1.39Å | Aromatic |
| C1N | C2N | sing | 1.39Å | 1.38Å | Aromatic |
| C6N | C5N | sing | 1.38Å | 1.39Å | Aromatic |
| O2N | PN | doub | 1.48Å | 1.51Å | |
| C2N | C3N | doub | 1.39Å | 1.39Å | Aromatic |
| PN | O3 | sing | 1.61Å | 1.59Å | |
| PN | O1N | sing | 1.61Å | 1.50Å | |
| O3 | PA | sing | 1.61Å | 1.62Å | |
| C5B | C4B | sing | 1.53Å | 1.52Å | |
| C5B | O5B | sing | 1.43Å | 1.42Å | |
| C5N | C4N | doub | 1.38Å | 1.38Å | Aromatic |
| C3N | C4N | sing | 1.40Å | 1.38Å | Aromatic |
| C3N | C7N | sing | 1.48Å | 1.49Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C7N | N7N | sing | 1.35Å | 1.32Å | |
| C7N | O7N | doub | 1.22Å | 1.24Å | |
| O2A | PA | doub | 1.48Å | 1.50Å | |
| O5B | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| O3B | C3B | sing | 1.43Å | 1.43Å | |
| O4B | C1B | sing | 1.44Å | 1.45Å | |
| O2B | C2B | sing | 1.43Å | 1.44Å | |
| C3B | C2B | sing | 1.55Å | 1.51Å | |
| C2B | C1B | sing | 1.55Å | 1.51Å | |
| C1B | N9A | sing | 1.47Å | 1.48Å | |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.32Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.34Å | Aromatic |
| C4A | N3A | doub | 1.33Å | 1.35Å | Aromatic |
| C4A | C5A | sing | 1.40Å | 1.46Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.33Å | Aromatic |
| N7A | C5A | sing | 1.36Å | 1.34Å | Aromatic |
| C5A | C6A | doub | 1.41Å | 1.45Å | Aromatic |
| C2A | N1A | doub | 1.32Å | 1.35Å | Aromatic |
| C6A | N1A | sing | 1.33Å | 1.34Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| N7N | H71N | sing | 0.97Å | 1.00Å | |
| N7N | H72N | sing | 0.97Å | 1.00Å | |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5N | H5N | sing | 1.08Å | 1.08Å | |
| C6N | H6N1 | sing | 1.08Å | 1.08Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C5D | H51N | sing | 1.09Å | 1.10Å | |
| C5D | H52N | sing | 1.09Å | 1.10Å | |
| O1N | H1 | sing | 0.97Å | 0.95Å | |
| O1A | H2 | sing | 0.97Å | 0.95Å | |
| C5B | H52A | sing | 1.09Å | 1.10Å | |
| C5B | H51A | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N6A | H61A | sing | 0.97Å | 1.00Å | |
| N6A | H62A | sing | 0.97Å | 1.00Å | |
| N8N | HN8N | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3D | C3D | C4D | 108.4° | 111.2° |
| O3D | C3D | C2D | 111.3° | 111.2° |
| O3D | C3D | H3D | 112.2° | 111.0° |
| C3D | O3D | HO3N | 109.5° | 114.0° |
| O4D | C4D | C3D | 104.4° | 105.2° |
| O4D | C4D | C5D | 110.3° | 110.3° |
| C4D | O4D | C1D | 104.9° | 110.0° |
| O4D | C4D | H4D | 111.2° | 110.3° |
| C3D | C4D | C5D | 110.9° | 110.3° |
| C4D | C3D | C2D | 103.1° | 100.9° |
| C4D | C3D | H3D | 110.8° | 111.1° |
| C3D | C4D | H4D | 110.1° | 110.3° |
| C4D | C5D | O5D | 109.9° | 109.5° |
| C5D | C4D | H4D | 109.9° | 110.3° |
| C4D | C5D | H51N | 109.4° | 109.5° |
| C4D | C5D | H52N | 109.4° | 109.5° |
| O4D | C1D | N8N | 110.7° | 109.8° |
| O4D | C1D | C2D | 106.1° | 107.6° |
| O4D | C1D | H1D | 108.8° | 109.8° |
| C3D | C2D | O2D | 108.8° | 111.0° |
| C3D | C2D | C1D | 104.2° | 102.3° |
| C3D | C2D | H2D | 109.1° | 110.9° |
| C2D | C3D | H3D | 110.7° | 111.1° |
| O2D | C2D | C1D | 115.1° | 110.8° |
| O2D | C2D | H2D | 110.6° | 110.7° |
| C2D | O2D | HO2N | 109.5° | 114.0° |
| C5D | O5D | PN | 119.6° | 123.0° |
| O5D | C5D | H51N | 109.4° | 109.4° |
| O5D | C5D | H52N | 109.4° | 109.5° |
| O5D | PN | O2N | 106.5° | 109.5° |
| O5D | PN | O3 | 98.1° | 109.5° |
| O5D | PN | O1N | 111.5° | 109.4° |
| C1D | N8N | C1N | 122.0° | 120.0° |
| N8N | C1D | C2D | 115.0° | 109.9° |
| N8N | C1D | H1D | 108.6° | 109.9° |
| C1D | N8N | HN8N | 106.2° | 120.0° |
| N8N | C1N | C6N | 117.4° | 120.0° |
| N8N | C1N | C2N | 122.2° | 120.0° |
| C1N | N8N | HN8N | 106.3° | 120.0° |
| C2D | C1D | H1D | 107.4° | 109.8° |
| C1D | C2D | H2D | 108.7° | 110.9° |
| C6N | C1N | C2N | 120.0° | 120.0° |
| C1N | C6N | C5N | 120.0° | 120.2° |
| C1N | C6N | H6N1 | 120.0° | 119.9° |
| C1N | C2N | C3N | 119.7° | 119.8° |
| C1N | C2N | H2N | 120.2° | 120.1° |
| C6N | C5N | C4N | 120.0° | 120.3° |
| C6N | C5N | H5N | 120.0° | 119.8° |
| C5N | C6N | H6N1 | 120.0° | 119.9° |
| O2N | PN | O3 | 109.4° | 109.5° |
| O2N | PN | O1N | 119.5° | 109.5° |
| C2N | C3N | C4N | 120.4° | 119.8° |
| C2N | C3N | C7N | 121.0° | 120.1° |
| C3N | C2N | H2N | 120.1° | 120.1° |
| O3 | PN | O1N | 109.8° | 109.4° |
| PN | O3 | PA | 131.4° | 134.0° |
| PN | O1N | H1 | 109.5° | 114.0° |
| O3 | PA | O2A | 106.5° | 109.5° |
| O3 | PA | O5B | 103.8° | 109.5° |
| O3 | PA | O1A | 108.6° | 109.5° |
| C4B | C5B | O5B | 107.3° | 109.5° |
| C5B | C4B | O4B | 110.8° | 109.9° |
| C5B | C4B | C3B | 115.8° | 109.9° |
| C4B | C5B | H52A | 110.0° | 109.5° |
| C4B | C5B | H51A | 110.0° | 109.5° |
| C5B | C4B | H4B | 108.1° | 109.9° |
| C5B | O5B | PA | 121.7° | 123.0° |
| O5B | C5B | H52A | 110.0° | 109.5° |
| O5B | C5B | H51A | 110.0° | 109.5° |
| C5N | C4N | C3N | 119.9° | 120.0° |
| C5N | C4N | H4N | 120.1° | 120.0° |
| C4N | C5N | H5N | 120.0° | 119.9° |
| C4N | C3N | C7N | 118.6° | 120.1° |
| C3N | C4N | H4N | 120.0° | 120.0° |
| C3N | C7N | N7N | 121.2° | 120.0° |
| C3N | C7N | O7N | 117.5° | 120.0° |
| O4B | C4B | C3B | 104.7° | 107.3° |
| C4B | O4B | C1B | 107.8° | 107.0° |
| O4B | C4B | H4B | 109.2° | 109.9° |
| C4B | C3B | O3B | 115.2° | 110.5° |
| C4B | C3B | C2B | 101.4° | 104.2° |
| C3B | C4B | H4B | 108.0° | 110.0° |
| C4B | C3B | H3B | 109.8° | 110.5° |
| N7N | C7N | O7N | 121.3° | 120.0° |
| C7N | N7N | H71N | 120.0° | 120.0° |
| C7N | N7N | H72N | 120.0° | 120.0° |
| O2A | PA | O5B | 111.4° | 109.5° |
| O2A | PA | O1A | 118.4° | 109.4° |
| O5B | PA | O1A | 107.2° | 109.5° |
| PA | O1A | H2 | 109.5° | 114.0° |
| O3B | C3B | C2B | 108.8° | 110.5° |
| O3B | C3B | H3B | 111.2° | 110.5° |
| C3B | O3B | HO3A | 109.5° | 114.0° |
| O4B | C1B | C2B | 107.7° | 103.5° |
| O4B | C1B | N9A | 106.1° | 110.6° |
| O4B | C1B | H1B | 108.3° | 110.7° |
| O2B | C2B | C3B | 111.9° | 110.9° |
| O2B | C2B | C1B | 106.1° | 110.9° |
| O2B | C2B | H2B | 113.1° | 110.8° |
| C2B | O2B | HO2A | 109.5° | 114.0° |
| C3B | C2B | C1B | 100.8° | 102.1° |
| C2B | C3B | H3B | 110.0° | 110.5° |
| C3B | C2B | H2B | 112.0° | 110.9° |
| C2B | C1B | N9A | 118.8° | 110.6° |
| C1B | C2B | H2B | 112.0° | 111.0° |
| C2B | C1B | H1B | 107.6° | 110.7° |
| C1B | N9A | C8A | 126.4° | 126.3° |
| C1B | N9A | C4A | 124.0° | 126.3° |
| N9A | C1B | H1B | 108.0° | 110.6° |
| C8A | N9A | C4A | 108.9° | 107.4° |
| N9A | C8A | N7A | 111.9° | 110.0° |
| N9A | C8A | H8A | 124.1° | 125.0° |
| N9A | C4A | N3A | 134.3° | 134.9° |
| N9A | C4A | C5A | 104.7° | 106.1° |
| C8A | N7A | C5A | 105.5° | 109.4° |
| N7A | C8A | H8A | 124.1° | 125.0° |
| N3A | C4A | C5A | 120.9° | 119.0° |
| C4A | N3A | C2A | 117.7° | 120.6° |
| C4A | C5A | N7A | 109.0° | 107.1° |
| C4A | C5A | C6A | 117.6° | 118.2° |
| N3A | C2A | N1A | 124.6° | 122.5° |
| N3A | C2A | H2A | 117.7° | 118.7° |
| N7A | C5A | C6A | 133.4° | 134.7° |
| C5A | C6A | N1A | 116.6° | 118.4° |
| C5A | C6A | N6A | 121.6° | 120.8° |
| C2A | N1A | C6A | 122.6° | 121.2° |
| N1A | C2A | H2A | 117.7° | 118.8° |
| N1A | C6A | N6A | 121.8° | 120.8° |
| C6A | N6A | H61A | 109.5° | 120.0° |
| C6A | N6A | H62A | 109.5° | 120.0° |
| H71N | N7N | H72N | 120.0° | 120.0° |
| H51N | C5D | H52N | 109.5° | 109.4° |
| H52A | C5B | H51A | 109.5° | 109.4° |
| H61A | N6A | H62A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3D | C3D | C4D | O4D | 82.7° | 154.4° |
| O3D | C3D | C4D | C2D | 118.1° | 118.0° |
| O3D | C3D | C4D | H3D | 123.5° | 124.1° |
| O3D | C3D | C4D | C5D | 158.5° | 86.7° |
| O3D | C3D | C2D | H3D | 125.5° | 124.1° |
| O3D | C3D | C2D | O2D | 22.4° | 33.8° |
| O3D | C3D | C2D | C1D | 100.9° | 152.1° |
| O3D | C3D | C2D | H2D | 143.1° | 89.7° |
| O3D | C3D | C4D | H4D | 36.8° | 35.4° |
| O4D | C4D | C3D | C5D | 118.7° | 118.9° |
| O4D | C4D | C3D | H4D | 119.5° | 118.9° |
| O4D | C4D | C5D | H4D | 122.9° | 122.1° |
| O4D | C4D | C3D | C2D | 35.4° | 36.4° |
| O4D | C4D | C5D | O5D | 48.7° | 66.5° |
| C4D | O4D | C1D | N8N | 157.9° | 117.9° |
| C4D | O4D | C1D | C2D | 32.5° | 1.7° |
| C4D | O4D | C1D | H1D | 82.8° | 121.2° |
| O4D | C4D | C3D | H3D | 153.8° | 81.5° |
| O4D | C4D | C5D | H51N | 168.8° | 173.6° |
| O4D | C4D | C5D | H52N | 71.3° | 53.6° |
| C3D | C4D | C5D | H4D | 121.9° | 122.1° |
| C3D | C4D | O4D | C1D | 42.7° | 24.4° |
| C4D | C3D | C2D | H3D | 118.5° | 117.9° |
| C4D | C3D | C2D | O2D | 138.4° | 84.2° |
| C3D | C4D | C5D | O5D | 163.8° | 177.8° |
| C4D | C3D | C2D | C1D | 15.1° | 34.1° |
| C4D | C3D | C2D | H2D | 100.9° | 152.4° |
| C4D | C3D | O3D | HO3N | 180.0° | 173.0° |
| C3D | C4D | C5D | H51N | 76.1° | 57.8° |
| C3D | C4D | C5D | H52N | 43.8° | 62.2° |
| C5D | C4D | O4D | C1D | 76.4° | 143.4° |
| C5D | C4D | C3D | C2D | 83.3° | 155.3° |
| C4D | C5D | O5D | H51N | 120.1° | 120.0° |
| C4D | C5D | O5D | H52N | 120.1° | 120.1° |
| C4D | C5D | O5D | PN | 147.5° | 180.0° |
| C5D | C4D | C3D | H3D | 35.1° | 37.4° |
| C4D | C5D | H51N | H52N | 119.8° | 120.1° |
| O4D | C1D | C2D | C3D | 9.8° | 21.3° |
| O4D | C1D | C2D | O2D | 109.3° | 97.0° |
| O4D | C1D | N8N | C2D | 120.3° | 118.2° |
| O4D | C1D | N8N | H1D | 119.3° | 120.9° |
| O4D | C1D | N8N | C1N | 94.3° | 94.6° |
| O4D | C1D | C2D | H1D | 116.2° | 119.4° |
| O4D | C1D | C2D | H2D | 126.0° | 139.6° |
| C1D | O4D | C4D | H4D | 161.5° | 94.5° |
| O4D | C1D | N8N | HN8N | 143.9° | 85.4° |
| C3D | C2D | O2D | C1D | 116.5° | 113.0° |
| C3D | C2D | O2D | H2D | 119.8° | 123.6° |
| C3D | C2D | C1D | N8N | 132.5° | 140.9° |
| C3D | C2D | C1D | H2D | 116.3° | 118.3° |
| C3D | C2D | C1D | H1D | 106.5° | 98.1° |
| C3D | C2D | O2D | HO2N | 180.0° | 174.4° |
| C2D | C3D | O3D | HO3N | 67.3° | 61.4° |
| C2D | C3D | C4D | H4D | 154.9° | 82.5° |
| O2D | C2D | C1D | N8N | 13.4° | 22.5° |
| O2D | C2D | C1D | H2D | 124.6° | 123.4° |
| O2D | C2D | C1D | H1D | 134.4° | 143.5° |
| O2D | C2D | C3D | H3D | 103.1° | 158.0° |
| C5D | O5D | PN | O2N | 174.4° | 54.9° |
| C5D | O5D | PN | O3 | 61.4° | 175.0° |
| C5D | O5D | PN | O1N | 53.7° | 65.1° |
| O5D | C5D | C4D | H4D | 74.2° | 55.7° |
| O5D | C5D | H51N | H52N | 119.8° | 120.0° |
| O5D | PN | O2N | O3 | 105.1° | 120.0° |
| O5D | PN | O2N | O1N | 127.2° | 120.0° |
| O5D | PN | O3 | O1N | 116.4° | 119.9° |
| O5D | PN | O3 | PA | 174.8° | 160.0° |
| PN | O5D | C5D | H51N | 92.4° | 60.0° |
| PN | O5D | C5D | H52N | 27.5° | 59.9° |
| O5D | PN | O1N | H1 | 124.9° | 60.0° |
| C1D | N8N | C1N | HN8N | 121.7° | 179.9° |
| N8N | C1D | C2D | H1D | 121.0° | 121.0° |
| C1D | N8N | C1N | C6N | 155.6° | 173.2° |
| C1D | N8N | C1N | C2N | 17.2° | 6.0° |
| N8N | C1D | C2D | H2D | 111.2° | 100.9° |
| C1N | N8N | C1D | C2D | 145.4° | 147.2° |
| N8N | C1N | C6N | C2N | 173.0° | 179.2° |
| N8N | C1N | C6N | C5N | 174.9° | 180.0° |
| N8N | C1N | C2N | C3N | 175.7° | 179.7° |
| N8N | C1N | C2N | H2N | 4.3° | 0.2° |
| N8N | C1N | C6N | H6N1 | 5.1° | 0.6° |
| C1N | N8N | C1D | H1D | 25.0° | 26.3° |
| C1D | C2D | O2D | HO2N | 63.5° | 61.5° |
| C1D | C2D | C3D | H3D | 133.6° | 83.8° |
| C2D | C1D | N8N | HN8N | 23.6° | 32.7° |
| C1N | C6N | C5N | H6N1 | 180.0° | 179.4° |
| C6N | C1N | C2N | C3N | 3.1° | 0.5° |
| C1N | C6N | C5N | C4N | 0.2° | 0.6° |
| C6N | C1N | C2N | H2N | 176.9° | 179.4° |
| C1N | C6N | C5N | H5N | 179.8° | 179.4° |
| C6N | C1N | N8N | HN8N | 33.9° | 6.7° |
| C2N | C1N | C6N | C5N | 1.9° | 0.8° |
| C1N | C2N | C3N | H2N | 180.0° | 179.9° |
| C1N | C2N | C3N | C4N | 2.6° | 0.0° |
| C1N | C2N | C3N | C7N | 177.7° | 179.7° |
| C2N | C1N | C6N | H6N1 | 178.1° | 179.8° |
| C2N | C1N | N8N | HN8N | 138.9° | 174.0° |
| C6N | C5N | C4N | H5N | 180.0° | 180.0° |
| C6N | C5N | C4N | C3N | 0.2° | 0.0° |
| C6N | C5N | C4N | H4N | 179.8° | 180.0° |
| O2N | PN | O3 | O1N | 132.9° | 120.0° |
| O2N | PN | O3 | PA | 64.1° | 40.0° |
| O2N | PN | O1N | H1 | 0.0° | 180.0° |
| C2N | C3N | C4N | C5N | 1.0° | 0.2° |
| C2N | C3N | C4N | C7N | 179.7° | 179.7° |
| C2N | C3N | C7N | N7N | 25.7° | 179.8° |
| C2N | C3N | C7N | O7N | 154.6° | 0.5° |
| C2N | C3N | C4N | H4N | 179.0° | 179.7° |
| PN | O3 | PA | O2A | 170.3° | 40.0° |
| PN | O3 | PA | O5B | 52.6° | 160.0° |
| PN | O3 | PA | O1A | 61.2° | 80.0° |
| O3 | PN | O1N | H1 | 127.5° | 60.0° |
| O1N | PN | O3 | PA | 68.8° | 80.0° |
| O3 | PA | O5B | C5B | 67.8° | 175.0° |
| O3 | PA | O2A | O5B | 112.6° | 120.0° |
| O3 | PA | O2A | O1A | 122.6° | 120.0° |
| O3 | PA | O5B | O1A | 114.9° | 120.0° |
| O3 | PA | O1A | H2 | 121.5° | 60.0° |
| C4B | C5B | O5B | H52A | 119.7° | 120.0° |
| C4B | C5B | O5B | H51A | 119.7° | 120.0° |
| C5B | C4B | O4B | C3B | 125.6° | 119.4° |
| C5B | C4B | O4B | H4B | 118.9° | 121.0° |
| C5B | C4B | C3B | H4B | 121.4° | 121.1° |
| C4B | C5B | O5B | PA | 135.3° | 180.0° |
| C5B | C4B | C3B | O3B | 82.4° | 119.9° |
| C5B | C4B | O4B | C1B | 145.2° | 145.9° |
| C5B | C4B | C3B | C2B | 160.4° | 121.4° |
| C4B | C5B | H52A | H51A | 121.0° | 120.0° |
| C5B | C4B | C3B | H3B | 44.1° | 2.7° |
| O5B | C5B | C4B | O4B | 68.5° | 66.5° |
| O5B | C5B | C4B | C3B | 50.5° | 175.7° |
| C5B | O5B | PA | O2A | 46.5° | 55.0° |
| C5B | O5B | PA | O1A | 177.4° | 65.0° |
| O5B | C5B | H52A | H51A | 121.0° | 120.0° |
| O5B | C5B | C4B | H4B | 171.9° | 54.6° |
| C5N | C4N | C3N | H4N | 180.0° | 180.0° |
| C5N | C4N | C3N | C7N | 179.3° | 180.0° |
| C4N | C5N | C6N | H6N1 | 179.7° | 179.9° |
| C4N | C3N | C7N | N7N | 154.0° | 0.0° |
| C4N | C3N | C7N | O7N | 25.6° | 179.7° |
| C4N | C3N | C2N | H2N | 177.4° | 179.9° |
| C3N | C4N | C5N | H5N | 179.8° | 180.0° |
| C3N | C7N | N7N | O7N | 179.7° | 179.7° |
| C3N | C7N | N7N | H71N | 179.7° | 179.8° |
| C3N | C7N | N7N | H72N | 0.4° | 0.3° |
| C7N | C3N | C2N | H2N | 2.3° | 0.3° |
| C7N | C3N | C4N | H4N | 0.7° | 0.0° |
| O4B | C4B | C3B | H4B | 116.3° | 119.5° |
| O4B | C4B | C3B | O3B | 155.3° | 120.7° |
| O4B | C4B | C3B | C2B | 38.0° | 2.0° |
| C4B | O4B | C1B | C2B | 6.6° | 40.1° |
| C4B | O4B | C1B | N9A | 121.6° | 158.6° |
| O4B | C4B | C5B | H52A | 51.1° | 53.6° |
| O4B | C4B | C5B | H51A | 171.8° | 173.5° |
| O4B | C4B | C3B | H3B | 78.3° | 116.7° |
| C4B | O4B | C1B | H1B | 122.7° | 78.5° |
| C4B | C3B | O3B | C2B | 113.0° | 114.8° |
| C4B | C3B | O3B | H3B | 125.7° | 122.6° |
| C3B | C4B | O4B | C1B | 19.7° | 26.5° |
| C4B | C3B | C2B | O2B | 72.1° | 139.0° |
| C4B | C3B | C2B | H3B | 116.1° | 118.7° |
| C4B | C3B | C2B | C1B | 40.4° | 20.9° |
| C3B | C4B | C5B | H52A | 170.2° | 64.2° |
| C3B | C4B | C5B | H51A | 69.1° | 55.7° |
| C4B | C3B | O3B | HO3A | 180.0° | 180.0° |
| C4B | C3B | C2B | H2B | 159.7° | 97.4° |
| C7N | N7N | H71N | H72N | 180.0° | 179.9° |
| O7N | C7N | N7N | H71N | 0.0° | 0.1° |
| O7N | C7N | N7N | H72N | 180.0° | 180.0° |
| O2A | PA | O5B | O1A | 130.9° | 120.0° |
| O2A | PA | O1A | H2 | 0.0° | 180.0° |
| O5B | PA | O1A | H2 | 126.9° | 60.0° |
| PA | O5B | C5B | H52A | 15.6° | 60.0° |
| PA | O5B | C5B | H51A | 105.1° | 60.0° |
| O3B | C3B | C2B | O2B | 49.8° | 20.4° |
| O3B | C3B | C2B | H3B | 122.1° | 122.6° |
| O3B | C3B | C2B | C1B | 162.2° | 97.8° |
| O3B | C3B | C4B | H4B | 39.0° | 1.2° |
| O3B | C3B | C2B | H2B | 78.5° | 143.9° |
| O4B | C1B | C2B | O2B | 86.8° | 155.2° |
| O4B | C1B | C2B | C3B | 30.1° | 37.0° |
| O4B | C1B | C2B | N9A | 120.5° | 118.5° |
| O4B | C1B | C2B | H1B | 116.6° | 118.6° |
| O4B | C1B | N9A | H1B | 116.0° | 123.0° |
| O4B | C1B | N9A | C8A | 35.4° | 19.1° |
| O4B | C1B | N9A | C4A | 134.1° | 160.6° |
| C1B | O4B | C4B | H4B | 95.8° | 93.1° |
| O4B | C1B | C2B | H2B | 149.3° | 81.2° |
| O2B | C2B | C3B | C1B | 112.5° | 118.2° |
| O2B | C2B | C3B | H2B | 128.2° | 123.6° |
| O2B | C2B | C1B | H2B | 123.9° | 123.6° |
| O2B | C2B | C1B | N9A | 152.8° | 86.3° |
| O2B | C2B | C3B | H3B | 171.8° | 102.2° |
| O2B | C2B | C1B | H1B | 29.8° | 36.6° |
| C3B | C2B | C1B | H2B | 119.3° | 118.3° |
| C3B | C2B | C1B | N9A | 90.4° | 155.5° |
| C2B | C3B | C4B | H4B | 78.2° | 117.5° |
| C2B | C3B | O3B | HO3A | 67.0° | 65.2° |
| C3B | C2B | O2B | HO2A | 180.0° | 61.5° |
| C3B | C2B | C1B | H1B | 146.6° | 81.6° |
| C2B | C1B | N9A | H1B | 122.8° | 122.9° |
| C2B | C1B | N9A | C8A | 85.8° | 95.0° |
| C2B | C1B | N9A | C4A | 104.7° | 85.3° |
| C1B | C2B | C3B | H3B | 75.7° | 139.6° |
| C1B | C2B | O2B | HO2A | 70.9° | 174.2° |
| C1B | N9A | C8A | C4A | 170.8° | 179.7° |
| C1B | N9A | C8A | N7A | 172.5° | 179.8° |
| C1B | N9A | C4A | N3A | 9.8° | 0.0° |
| C1B | N9A | C4A | C5A | 173.7° | 180.0° |
| N9A | C1B | C2B | H2B | 28.9° | 37.3° |
| C1B | N9A | C8A | H8A | 7.5° | 0.0° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| C8A | N9A | C4A | N3A | 179.1° | 179.8° |
| C8A | N9A | C4A | C5A | 2.6° | 0.3° |
| N9A | C8A | N7A | C5A | 0.0° | 0.4° |
| C8A | N9A | C1B | H1B | 151.4° | 142.1° |
| C4A | N9A | C8A | N7A | 1.7° | 0.4° |
| N9A | C4A | N3A | C5A | 176.1° | 180.0° |
| N9A | C4A | N3A | C2A | 177.5° | 180.0° |
| N9A | C4A | C5A | N7A | 2.7° | 0.0° |
| N9A | C4A | C5A | C6A | 178.5° | 180.0° |
| C4A | N9A | C1B | H1B | 18.1° | 37.6° |
| C4A | N9A | C8A | H8A | 178.3° | 179.7° |
| C8A | N7A | C5A | C4A | 1.6° | 0.2° |
| C8A | N7A | C5A | C6A | 179.8° | 179.8° |
| N3A | C4A | C5A | N7A | 179.8° | 180.0° |
| N3A | C4A | C5A | C6A | 1.4° | 0.0° |
| C4A | N3A | C2A | N1A | 0.9° | 0.0° |
| C4A | N3A | C2A | H2A | 179.1° | 180.0° |
| C5A | C4A | N3A | C2A | 1.4° | 0.0° |
| C4A | C5A | N7A | C6A | 178.6° | 180.0° |
| C4A | C5A | C6A | N1A | 0.7° | 0.0° |
| C4A | C5A | C6A | N6A | 179.9° | 180.0° |
| N3A | C2A | N1A | H2A | 180.0° | 180.0° |
| N3A | C2A | N1A | C6A | 0.3° | 0.0° |
| N7A | C5A | C6A | N1A | 179.2° | 180.0° |
| N7A | C5A | C6A | N6A | 1.6° | 0.0° |
| C5A | N7A | C8A | H8A | 179.9° | 179.7° |
| C5A | C6A | N1A | C2A | 0.2° | 0.0° |
| C5A | C6A | N1A | N6A | 179.2° | 180.0° |
| C5A | C6A | N6A | H61A | 179.1° | 0.0° |
| C5A | C6A | N6A | H62A | 60.9° | 180.0° |
| C2A | N1A | C6A | N6A | 179.3° | 180.0° |
| C6A | N1A | C2A | H2A | 179.7° | 180.0° |
| N1A | C6A | N6A | H61A | 0.0° | 180.0° |
| N1A | C6A | N6A | H62A | 120.0° | 0.0° |
| C6A | N6A | H61A | H62A | 120.0° | 180.0° |
| H4N | C4N | C5N | H5N | 0.2° | 0.0° |
| H5N | C5N | C6N | H6N1 | 0.3° | 0.1° |
| H1D | C1D | C2D | H2D | 9.8° | 20.1° |
| H1D | C1D | N8N | HN8N | 96.8° | 153.7° |
| H2D | C2D | O2D | HO2N | 60.1° | 62.0° |
| H2D | C2D | C3D | H3D | 17.6° | 34.5° |
| H3D | C3D | O3D | HO3N | 57.4° | 62.8° |
| H3D | C3D | C4D | H4D | 86.7° | 159.6° |
| H4D | C4D | C5D | H51N | 45.8° | 64.3° |
| H4D | C4D | C5D | H52N | 165.7° | 175.7° |
| H52A | C5B | C4B | H4B | 68.4° | 174.6° |
| H51A | C5B | C4B | H4B | 52.2° | 65.4° |
| H4B | C4B | C3B | H3B | 165.5° | 123.8° |
| H3B | C3B | O3B | HO3A | 54.3° | 57.4° |
| H3B | C3B | C2B | H2B | 43.6° | 21.3° |
| H2B | C2B | O2B | HO2A | 52.4° | 62.2° |
| H2B | C2B | C1B | H1B | 94.1° | 160.1° |
