AP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7N | C7N | doub | 1.22Å | 1.38Å | |
| C7N | C8N | sing | 1.51Å | 1.52Å | |
| C7N | C3N | sing | 1.40Å | 1.49Å | |
| C8N | H81 | sing | 1.09Å | 1.10Å | |
| C8N | H82 | sing | 1.09Å | 1.10Å | |
| C8N | H83 | sing | 1.09Å | 1.10Å | |
| C3N | C4N | sing | 1.50Å | 1.42Å | |
| C3N | C2N | doub | 1.35Å | 1.40Å | |
| C4N | C5N | sing | 1.50Å | 1.40Å | |
| C4N | H41 | sing | 1.09Å | 1.10Å | |
| C4N | H42 | sing | 1.09Å | 1.10Å | |
| C5N | C6N | doub | 1.31Å | 1.38Å | |
| C5N | H5 | sing | 1.08Å | 1.08Å | |
| C6N | N1N | sing | 1.39Å | 1.32Å | |
| C6N | H6 | sing | 1.08Å | 1.08Å | |
| C2N | N1N | sing | 1.36Å | 1.37Å | |
| C2N | H2 | sing | 1.08Å | 1.08Å | |
| N1N | C1D | sing | 1.47Å | 1.41Å | |
| C1D | C2D | sing | 1.55Å | 1.50Å | |
| C1D | O4D | sing | 1.44Å | 1.41Å | |
| C1D | H1' | sing | 1.09Å | 1.10Å | |
| C2D | O2D | sing | 1.43Å | 1.40Å | |
| C2D | C3D | sing | 1.55Å | 1.49Å | |
| C2D | H14 | sing | 1.09Å | 1.10Å | |
| O2D | H15 | sing | 0.97Å | 0.95Å | |
| C3D | O3D | sing | 1.43Å | 1.45Å | |
| C3D | C4D | sing | 1.54Å | 1.54Å | |
| C3D | H12 | sing | 1.09Å | 1.10Å | |
| O3D | H13 | sing | 0.97Å | 0.95Å | |
| O4D | C4D | sing | 1.44Å | 1.41Å | |
| C4D | C5D | sing | 1.53Å | 1.54Å | |
| C4D | H4' | sing | 1.09Å | 1.10Å | |
| C5D | O5D | sing | 1.43Å | 1.41Å | |
| C5D | H5'1 | sing | 1.09Å | 1.10Å | |
| C5D | H5'2 | sing | 1.09Å | 1.10Å | |
| O5D | PN | sing | 1.61Å | 1.58Å | |
| PN | O1N | doub | 1.48Å | 1.49Å | |
| PN | O2N | sing | 1.61Å | 1.48Å | |
| PN | O3 | sing | 1.61Å | 1.62Å | |
| O2N | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | doub | 1.48Å | 1.52Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| PA | O5B | sing | 1.61Å | 1.61Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.41Å | |
| C5B | C4B | sing | 1.53Å | 1.54Å | |
| C5B | H11 | sing | 1.09Å | 1.10Å | |
| C5B | H12X | sing | 1.09Å | 1.10Å | |
| C4B | O4B | sing | 1.44Å | 1.41Å | |
| C4B | C3B | sing | 1.54Å | 1.54Å | |
| C4B | H3 | sing | 1.09Å | 1.10Å | |
| O4B | C1B | sing | 1.44Å | 1.43Å | |
| C1B | C2B | sing | 1.55Å | 1.52Å | |
| C1B | N9A | sing | 1.47Å | 1.45Å | |
| C1B | H4 | sing | 1.09Å | 1.10Å | |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| C2B | C3B | sing | 1.55Å | 1.53Å | |
| C2B | H2' | sing | 1.09Å | 1.10Å | |
| O2B | H8 | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C3B | H3' | sing | 1.09Å | 1.10Å | |
| O3B | H9 | sing | 0.97Å | 0.95Å | |
| N9A | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.36Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | H10 | sing | 1.08Å | 1.08Å | |
| N7A | C5A | sing | 1.35Å | 1.36Å | Aromatic |
| C5A | C6A | doub | 1.41Å | 1.39Å | Aromatic |
| C5A | C4A | sing | 1.41Å | 1.38Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.34Å | |
| C6A | N1A | sing | 1.33Å | 1.38Å | Aromatic |
| N6A | HN61 | sing | 0.97Å | 1.00Å | |
| N6A | HN62 | sing | 0.97Å | 1.00Å | |
| C4A | N3A | doub | 1.33Å | 1.35Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.37Å | Aromatic |
| C2A | N1A | doub | 1.32Å | 1.37Å | Aromatic |
| C2A | H111 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7N | C7N | C8N | 117.6° | 120.0° |
| O7N | C7N | C3N | 121.0° | 120.0° |
| C8N | C7N | C3N | 121.5° | 120.0° |
| C7N | C8N | H81 | 109.5° | 109.5° |
| C7N | C8N | H82 | 109.5° | 109.5° |
| C7N | C8N | H83 | 109.5° | 109.5° |
| C7N | C3N | C4N | 120.8° | 119.4° |
| C7N | C3N | C2N | 119.1° | 119.4° |
| H81 | C8N | H82 | 109.5° | 109.4° |
| H81 | C8N | H83 | 109.5° | 109.4° |
| H82 | C8N | H83 | 109.4° | 109.5° |
| C4N | C3N | C2N | 120.1° | 121.2° |
| C3N | C4N | C5N | 118.1° | 110.8° |
| C3N | C4N | H41 | 107.3° | 109.2° |
| C3N | C4N | H42 | 107.3° | 109.2° |
| C3N | C2N | N1N | 123.2° | 120.5° |
| C3N | C2N | H2 | 118.4° | 119.8° |
| C5N | C4N | H41 | 107.3° | 109.2° |
| C5N | C4N | H42 | 107.3° | 109.2° |
| C4N | C5N | C6N | 114.1° | 121.9° |
| C4N | C5N | H5 | 122.9° | 119.1° |
| H41 | C4N | H42 | 109.5° | 109.2° |
| C6N | C5N | H5 | 122.9° | 119.1° |
| C5N | C6N | N1N | 132.7° | 121.0° |
| C5N | C6N | H6 | 113.6° | 119.5° |
| N1N | C6N | H6 | 113.6° | 119.5° |
| C6N | N1N | C2N | 111.8° | 120.0° |
| C6N | N1N | C1D | 127.3° | 120.0° |
| N1N | C2N | H2 | 118.4° | 119.8° |
| C2N | N1N | C1D | 120.8° | 120.0° |
| N1N | C1D | C2D | 108.6° | 110.6° |
| N1N | C1D | O4D | 106.1° | 110.6° |
| N1N | C1D | H1' | 112.4° | 110.6° |
| C2D | C1D | O4D | 105.9° | 103.5° |
| C2D | C1D | H1' | 111.0° | 110.6° |
| C1D | C2D | O2D | 112.3° | 110.9° |
| C1D | C2D | C3D | 96.8° | 102.1° |
| C1D | C2D | H14 | 109.7° | 110.9° |
| O4D | C1D | H1' | 112.5° | 110.7° |
| C1D | O4D | C4D | 106.2° | 107.0° |
| O2D | C2D | C3D | 116.2° | 111.0° |
| O2D | C2D | H14 | 111.0° | 110.8° |
| C2D | O2D | H15 | 109.5° | 114.0° |
| C3D | C2D | H14 | 109.8° | 110.9° |
| C2D | C3D | O3D | 106.0° | 110.5° |
| C2D | C3D | C4D | 104.2° | 104.2° |
| C2D | C3D | H12 | 112.1° | 110.5° |
| O3D | C3D | C4D | 110.1° | 110.5° |
| O3D | C3D | H12 | 112.7° | 110.4° |
| C3D | O3D | H13 | 109.5° | 114.0° |
| C4D | C3D | H12 | 111.3° | 110.7° |
| C3D | C4D | O4D | 105.2° | 107.3° |
| C3D | C4D | C5D | 119.8° | 109.9° |
| C3D | C4D | H4' | 107.7° | 110.0° |
| O4D | C4D | C5D | 106.8° | 109.9° |
| O4D | C4D | H4' | 109.3° | 109.9° |
| C5D | C4D | H4' | 107.7° | 110.0° |
| C4D | C5D | O5D | 113.8° | 109.5° |
| C4D | C5D | H5'1 | 108.4° | 109.5° |
| C4D | C5D | H5'2 | 108.4° | 109.5° |
| O5D | C5D | H5'1 | 108.4° | 109.4° |
| O5D | C5D | H5'2 | 108.4° | 109.4° |
| C5D | O5D | PN | 118.5° | 123.0° |
| H5'1 | C5D | H5'2 | 109.5° | 109.5° |
| O5D | PN | O1N | 107.6° | 109.4° |
| O5D | PN | O2N | 112.9° | 109.5° |
| O5D | PN | O3 | 97.7° | 109.4° |
| O1N | PN | O2N | 119.9° | 109.5° |
| O1N | PN | O3 | 107.0° | 109.5° |
| O2N | PN | O3 | 109.4° | 109.5° |
| PN | O2N | HO2 | 109.5° | 114.0° |
| PN | O3 | PA | 129.0° | 134.0° |
| O3 | PA | O1A | 106.0° | 109.5° |
| O3 | PA | O2A | 113.8° | 109.5° |
| O3 | PA | O5B | 103.1° | 109.4° |
| O1A | PA | O2A | 116.8° | 109.5° |
| O1A | PA | O5B | 109.0° | 109.5° |
| O2A | PA | O5B | 107.2° | 109.5° |
| PA | O2A | H1 | 109.5° | 114.0° |
| PA | O5B | C5B | 123.3° | 123.0° |
| O5B | C5B | C4B | 106.5° | 109.5° |
| O5B | C5B | H11 | 110.2° | 109.5° |
| O5B | C5B | H12X | 110.2° | 109.5° |
| C4B | C5B | H11 | 110.2° | 109.5° |
| C4B | C5B | H12X | 110.2° | 109.4° |
| C5B | C4B | O4B | 109.0° | 109.9° |
| C5B | C4B | C3B | 114.0° | 109.9° |
| C5B | C4B | H3 | 108.2° | 109.9° |
| H11 | C5B | H12X | 109.4° | 109.4° |
| O4B | C4B | C3B | 107.6° | 107.3° |
| O4B | C4B | H3 | 109.9° | 109.9° |
| C4B | O4B | C1B | 104.6° | 107.0° |
| C3B | C4B | H3 | 108.1° | 110.0° |
| C4B | C3B | C2B | 103.2° | 104.2° |
| C4B | C3B | O3B | 111.6° | 110.5° |
| C4B | C3B | H3' | 109.3° | 110.5° |
| O4B | C1B | C2B | 103.7° | 103.5° |
| O4B | C1B | N9A | 110.6° | 110.6° |
| O4B | C1B | H4 | 109.2° | 110.6° |
| C2B | C1B | N9A | 116.2° | 110.7° |
| C2B | C1B | H4 | 108.0° | 110.6° |
| C1B | C2B | O2B | 113.0° | 110.9° |
| C1B | C2B | C3B | 99.6° | 102.1° |
| C1B | C2B | H2' | 109.1° | 110.9° |
| N9A | C1B | H4 | 108.9° | 110.7° |
| C1B | N9A | C8A | 130.1° | 126.3° |
| C1B | N9A | C4A | 122.1° | 126.3° |
| O2B | C2B | C3B | 115.1° | 110.9° |
| O2B | C2B | H2' | 110.5° | 110.8° |
| C2B | O2B | H8 | 109.5° | 114.0° |
| C3B | C2B | H2' | 109.0° | 111.0° |
| C2B | C3B | O3B | 112.1° | 110.5° |
| C2B | C3B | H3' | 109.4° | 110.5° |
| O3B | C3B | H3' | 111.1° | 110.6° |
| C3B | O3B | H9 | 109.5° | 114.0° |
| C8A | N9A | C4A | 107.8° | 107.5° |
| N9A | C8A | N7A | 108.0° | 110.0° |
| N9A | C8A | H10 | 126.0° | 125.0° |
| N9A | C4A | C5A | 108.0° | 106.0° |
| N9A | C4A | N3A | 130.1° | 134.9° |
| N7A | C8A | H10 | 126.0° | 125.0° |
| C8A | N7A | C5A | 108.7° | 109.4° |
| N7A | C5A | C6A | 133.8° | 134.7° |
| N7A | C5A | C4A | 107.5° | 107.1° |
| C6A | C5A | C4A | 118.7° | 118.1° |
| C5A | C6A | N6A | 122.0° | 120.7° |
| C5A | C6A | N1A | 119.4° | 118.5° |
| C5A | C4A | N3A | 121.9° | 119.1° |
| N6A | C6A | N1A | 118.6° | 120.8° |
| C6A | N6A | HN61 | 109.5° | 120.0° |
| C6A | N6A | HN62 | 109.5° | 120.0° |
| C6A | N1A | C2A | 120.0° | 121.1° |
| HN61 | N6A | HN62 | 109.5° | 120.0° |
| C4A | N3A | C2A | 119.1° | 120.6° |
| N3A | C2A | N1A | 121.0° | 122.5° |
| N3A | C2A | H111 | 119.5° | 118.7° |
| N1A | C2A | H111 | 119.5° | 118.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7N | C7N | C8N | C3N | 179.9° | 179.7° |
| O7N | C7N | C8N | H81 | 0.0° | 0.0° |
| O7N | C7N | C8N | H82 | 120.0° | 119.9° |
| O7N | C7N | C8N | H83 | 120.0° | 120.0° |
| O7N | C7N | C3N | C4N | 0.6° | 180.0° |
| O7N | C7N | C3N | C2N | 176.5° | 0.2° |
| C7N | C8N | H81 | H82 | 120.0° | 120.0° |
| C7N | C8N | H81 | H83 | 120.0° | 120.0° |
| C7N | C8N | H82 | H83 | 120.0° | 120.1° |
| C8N | C7N | C3N | C4N | 179.6° | 0.3° |
| C8N | C7N | C3N | C2N | 3.4° | 179.5° |
| C3N | C7N | C8N | H81 | 179.9° | 179.7° |
| C3N | C7N | C8N | H82 | 60.1° | 59.7° |
| C3N | C7N | C8N | H83 | 59.8° | 60.3° |
| C7N | C3N | C4N | C2N | 177.0° | 179.8° |
| C7N | C3N | C4N | C5N | 175.8° | 163.9° |
| C7N | C3N | C4N | H41 | 63.0° | 75.8° |
| C7N | C3N | C4N | H42 | 54.5° | 43.6° |
| C7N | C3N | C2N | N1N | 177.4° | 179.8° |
| C7N | C3N | C2N | H2 | 2.6° | 0.4° |
| H81 | C8N | H82 | H83 | 120.0° | 120.0° |
| C3N | C4N | C5N | H41 | 121.2° | 120.4° |
| C3N | C4N | C5N | H42 | 121.2° | 120.3° |
| C3N | C4N | H41 | H42 | 116.1° | 119.3° |
| C3N | C4N | C5N | C6N | 0.8° | 16.1° |
| C3N | C4N | C5N | H5 | 179.2° | 163.9° |
| C4N | C3N | C2N | N1N | 0.4° | 0.0° |
| C4N | C3N | C2N | H2 | 179.6° | 179.8° |
| C2N | C3N | C4N | C5N | 1.2° | 15.9° |
| C2N | C3N | C4N | H41 | 120.0° | 104.4° |
| C2N | C3N | C4N | H42 | 122.5° | 136.2° |
| C3N | C2N | N1N | C6N | 2.1° | 17.9° |
| C3N | C2N | N1N | H2 | 180.0° | 179.8° |
| C3N | C2N | N1N | C1D | 178.5° | 162.2° |
| C5N | C4N | H41 | H42 | 116.1° | 119.3° |
| C4N | C5N | C6N | H5 | 180.0° | 179.9° |
| C4N | C5N | C6N | N1N | 1.3° | 0.3° |
| C4N | C5N | C6N | H6 | 178.7° | 179.8° |
| H41 | C4N | C5N | C6N | 120.4° | 104.3° |
| H41 | C4N | C5N | H5 | 59.6° | 75.7° |
| H42 | C4N | C5N | C6N | 122.1° | 136.4° |
| H42 | C4N | C5N | H5 | 57.9° | 43.6° |
| C5N | C6N | N1N | H6 | 180.0° | 179.9° |
| C5N | C6N | N1N | C2N | 2.8° | 18.0° |
| C5N | C6N | N1N | C1D | 178.9° | 162.2° |
| H5 | C5N | C6N | N1N | 178.6° | 179.7° |
| H5 | C5N | C6N | H6 | 1.4° | 0.1° |
| C6N | N1N | C2N | C1D | 176.4° | 179.9° |
| C6N | N1N | C2N | H2 | 177.9° | 162.2° |
| C6N | N1N | C1D | C2D | 44.6° | 64.9° |
| C6N | N1N | C1D | O4D | 68.8° | 49.1° |
| C6N | N1N | C1D | H1' | 167.8° | 172.2° |
| H6 | C6N | N1N | C2N | 177.2° | 161.9° |
| H6 | C6N | N1N | C1D | 1.1° | 17.9° |
| C2N | N1N | C1D | C2D | 139.6° | 115.2° |
| C2N | N1N | C1D | O4D | 106.9° | 130.7° |
| C2N | N1N | C1D | H1' | 16.4° | 7.7° |
| H2 | C2N | N1N | C1D | 1.5° | 17.6° |
| N1N | C1D | C2D | O4D | 113.6° | 118.5° |
| N1N | C1D | C2D | H1' | 124.0° | 122.9° |
| N1N | C1D | O4D | H1' | 123.3° | 122.9° |
| N1N | C1D | C2D | O2D | 77.6° | 86.3° |
| N1N | C1D | C2D | C3D | 160.3° | 155.5° |
| N1N | C1D | C2D | H14 | 46.4° | 37.3° |
| N1N | C1D | O4D | C4D | 153.2° | 158.6° |
| C2D | C1D | O4D | H1' | 121.4° | 118.6° |
| C1D | C2D | O2D | C3D | 110.3° | 112.7° |
| C1D | C2D | O2D | H14 | 123.3° | 123.6° |
| C1D | C2D | C3D | H14 | 113.9° | 118.2° |
| C1D | C2D | O2D | H15 | 180.0° | 179.9° |
| C1D | C2D | C3D | O3D | 79.0° | 97.8° |
| C1D | C2D | C3D | C4D | 37.2° | 20.9° |
| C1D | C2D | C3D | H12 | 157.7° | 139.7° |
| C2D | C1D | O4D | C4D | 37.9° | 40.1° |
| O4D | C1D | C2D | O2D | 168.8° | 155.2° |
| O4D | C1D | C2D | C3D | 46.7° | 37.0° |
| O4D | C1D | C2D | H14 | 67.2° | 81.2° |
| C1D | O4D | C4D | C3D | 12.0° | 26.5° |
| C1D | O4D | C4D | C5D | 140.3° | 145.9° |
| C1D | O4D | C4D | H4' | 103.4° | 93.0° |
| H1' | C1D | C2D | O2D | 46.4° | 36.6° |
| H1' | C1D | C2D | C3D | 75.6° | 81.7° |
| H1' | C1D | C2D | H14 | 170.4° | 160.2° |
| H1' | C1D | O4D | C4D | 83.6° | 78.5° |
| O2D | C2D | C3D | H14 | 127.1° | 123.6° |
| O2D | C2D | C3D | O3D | 40.1° | 20.4° |
| O2D | C2D | C3D | C4D | 156.3° | 139.0° |
| O2D | C2D | C3D | H12 | 83.2° | 102.1° |
| C3D | C2D | O2D | H15 | 69.8° | 67.2° |
| C2D | C3D | O3D | C4D | 112.1° | 114.8° |
| C2D | C3D | O3D | H12 | 122.9° | 122.5° |
| C2D | C3D | C4D | H12 | 121.0° | 118.8° |
| C2D | C3D | O3D | H13 | 180.0° | 61.4° |
| C2D | C3D | C4D | O4D | 17.6° | 2.1° |
| C2D | C3D | C4D | C5D | 102.5° | 121.4° |
| C2D | C3D | C4D | H4' | 134.1° | 117.4° |
| H14 | C2D | O2D | H15 | 56.7° | 56.4° |
| H14 | C2D | C3D | O3D | 167.2° | 144.0° |
| H14 | C2D | C3D | C4D | 76.6° | 97.3° |
| H14 | C2D | C3D | H12 | 43.8° | 21.6° |
| O3D | C3D | C4D | H12 | 125.8° | 122.6° |
| O3D | C3D | C4D | O4D | 95.7° | 120.7° |
| O3D | C3D | C4D | C5D | 144.3° | 119.9° |
| O3D | C3D | C4D | H4' | 20.8° | 1.3° |
| C4D | C3D | O3D | H13 | 67.9° | 176.2° |
| C3D | C4D | O4D | C5D | 128.3° | 119.4° |
| C3D | C4D | O4D | H4' | 115.4° | 119.5° |
| C3D | C4D | C5D | H4' | 123.4° | 121.1° |
| C3D | C4D | C5D | O5D | 55.2° | 175.0° |
| C3D | C4D | C5D | H5'1 | 175.9° | 55.0° |
| C3D | C4D | C5D | H5'2 | 65.4° | 65.0° |
| H12 | C3D | O3D | H13 | 57.1° | 61.1° |
| H12 | C3D | C4D | O4D | 138.5° | 116.7° |
| H12 | C3D | C4D | C5D | 18.5° | 2.7° |
| H12 | C3D | C4D | H4' | 105.0° | 123.8° |
| O4D | C4D | C5D | H4' | 117.3° | 121.0° |
| O4D | C4D | C5D | O5D | 64.0° | 67.2° |
| O4D | C4D | C5D | H5'1 | 56.7° | 172.9° |
| O4D | C4D | C5D | H5'2 | 175.4° | 52.8° |
| C4D | C5D | O5D | H5'1 | 120.6° | 120.0° |
| C4D | C5D | O5D | H5'2 | 120.6° | 120.1° |
| C4D | C5D | H5'1 | H5'2 | 118.0° | 120.1° |
| C4D | C5D | O5D | PN | 169.4° | 180.0° |
| H4' | C4D | C5D | O5D | 178.7° | 53.9° |
| H4' | C4D | C5D | H5'1 | 60.7° | 66.1° |
| H4' | C4D | C5D | H5'2 | 58.0° | 173.9° |
| O5D | C5D | H5'1 | H5'2 | 118.0° | 119.9° |
| C5D | O5D | PN | O1N | 178.9° | 55.0° |
| C5D | O5D | PN | O2N | 46.5° | 64.9° |
| C5D | O5D | PN | O3 | 68.3° | 175.0° |
| H5'1 | C5D | O5D | PN | 70.0° | 60.0° |
| H5'2 | C5D | O5D | PN | 48.8° | 59.9° |
| O5D | PN | O1N | O2N | 130.8° | 120.0° |
| O5D | PN | O1N | O3 | 104.1° | 120.0° |
| O5D | PN | O2N | O3 | 107.6° | 120.0° |
| O5D | PN | O2N | HO2 | 128.4° | 60.0° |
| O5D | PN | O3 | PA | 154.4° | 165.0° |
| O1N | PN | O2N | O3 | 124.0° | 120.0° |
| O1N | PN | O2N | HO2 | 0.0° | 180.0° |
| O1N | PN | O3 | PA | 94.5° | 45.0° |
| O2N | PN | O3 | PA | 36.7° | 75.0° |
| O3 | PN | O2N | HO2 | 124.0° | 60.0° |
| PN | O3 | PA | O1A | 168.0° | 40.0° |
| PN | O3 | PA | O2A | 38.3° | 80.0° |
| PN | O3 | PA | O5B | 77.5° | 160.0° |
| O3 | PA | O1A | O2A | 127.9° | 120.0° |
| O3 | PA | O1A | O5B | 110.4° | 120.0° |
| O3 | PA | O2A | O5B | 113.3° | 120.0° |
| O3 | PA | O2A | H1 | 124.1° | 60.0° |
| O3 | PA | O5B | C5B | 75.9° | 175.0° |
| O1A | PA | O2A | O5B | 122.6° | 120.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| O1A | PA | O5B | C5B | 36.4° | 55.0° |
| O2A | PA | O5B | C5B | 163.7° | 65.0° |
| O5B | PA | O2A | H1 | 122.6° | 60.0° |
| PA | O5B | C5B | C4B | 138.9° | 180.0° |
| PA | O5B | C5B | H11 | 101.6° | 60.0° |
| PA | O5B | C5B | H12X | 19.3° | 60.0° |
| O5B | C5B | C4B | H11 | 119.6° | 120.0° |
| O5B | C5B | C4B | H12X | 119.6° | 120.0° |
| O5B | C5B | H11 | H12X | 121.3° | 120.0° |
| O5B | C5B | C4B | O4B | 170.2° | 66.5° |
| O5B | C5B | C4B | C3B | 69.5° | 175.7° |
| O5B | C5B | C4B | H3 | 50.7° | 54.5° |
| C4B | C5B | H11 | H12X | 121.4° | 119.9° |
| C5B | C4B | O4B | C3B | 124.1° | 119.4° |
| C5B | C4B | O4B | H3 | 118.4° | 121.0° |
| C5B | C4B | C3B | H3 | 120.3° | 121.1° |
| C5B | C4B | O4B | C1B | 150.9° | 145.9° |
| C5B | C4B | C3B | C2B | 119.7° | 121.4° |
| C5B | C4B | C3B | O3B | 119.8° | 119.9° |
| C5B | C4B | C3B | H3' | 3.4° | 2.8° |
| H11 | C5B | C4B | O4B | 50.6° | 53.6° |
| H11 | C5B | C4B | C3B | 170.9° | 64.2° |
| H11 | C5B | C4B | H3 | 68.8° | 174.6° |
| H12X | C5B | C4B | O4B | 70.3° | 173.5° |
| H12X | C5B | C4B | C3B | 50.0° | 55.7° |
| H12X | C5B | C4B | H3 | 170.3° | 65.5° |
| O4B | C4B | C3B | H3 | 118.6° | 119.5° |
| C4B | O4B | C1B | C2B | 45.0° | 40.0° |
| C4B | O4B | C1B | N9A | 170.2° | 158.6° |
| C4B | O4B | C1B | H4 | 70.0° | 78.5° |
| O4B | C4B | C3B | C2B | 1.4° | 2.0° |
| O4B | C4B | C3B | O3B | 119.1° | 120.7° |
| O4B | C4B | C3B | H3' | 117.7° | 116.6° |
| C3B | C4B | O4B | C1B | 26.7° | 26.5° |
| C4B | C3B | C2B | C1B | 26.6° | 20.9° |
| C4B | C3B | C2B | O2B | 147.8° | 139.1° |
| C4B | C3B | C2B | O3B | 120.2° | 118.6° |
| C4B | C3B | C2B | H3' | 116.2° | 118.7° |
| C4B | C3B | C2B | H2' | 87.5° | 97.4° |
| C4B | C3B | O3B | H3' | 122.2° | 122.6° |
| C4B | C3B | O3B | H9 | 180.0° | 180.0° |
| H3 | C4B | O4B | C1B | 90.7° | 93.1° |
| H3 | C4B | C3B | C2B | 120.0° | 117.4° |
| H3 | C4B | C3B | O3B | 0.5° | 1.2° |
| H3 | C4B | C3B | H3' | 123.7° | 123.9° |
| O4B | C1B | C2B | N9A | 121.6° | 118.5° |
| O4B | C1B | C2B | H4 | 115.8° | 118.5° |
| O4B | C1B | N9A | H4 | 120.1° | 122.9° |
| O4B | C1B | C2B | O2B | 166.7° | 155.2° |
| O4B | C1B | C2B | C3B | 44.0° | 37.0° |
| O4B | C1B | C2B | H2' | 70.0° | 81.3° |
| O4B | C1B | N9A | C8A | 84.7° | 23.7° |
| O4B | C1B | N9A | C4A | 94.8° | 156.7° |
| C2B | C1B | N9A | H4 | 122.1° | 123.0° |
| C1B | C2B | O2B | C3B | 113.5° | 112.8° |
| C1B | C2B | O2B | H2' | 122.5° | 123.6° |
| C1B | C2B | C3B | H2' | 114.1° | 118.2° |
| C1B | C2B | O2B | H8 | 180.0° | 179.9° |
| C1B | C2B | C3B | O3B | 93.6° | 97.8° |
| C1B | C2B | C3B | H3' | 142.8° | 139.5° |
| C2B | C1B | N9A | C8A | 33.1° | 90.4° |
| C2B | C1B | N9A | C4A | 147.4° | 89.2° |
| N9A | C1B | C2B | O2B | 71.7° | 86.3° |
| N9A | C1B | C2B | C3B | 165.6° | 155.5° |
| N9A | C1B | C2B | H2' | 51.6° | 37.2° |
| C1B | N9A | C8A | C4A | 179.6° | 179.7° |
| C1B | N9A | C8A | N7A | 178.7° | 179.9° |
| C1B | N9A | C8A | H10 | 1.3° | 0.1° |
| C1B | N9A | C4A | C5A | 178.6° | 179.9° |
| C1B | N9A | C4A | N3A | 0.7° | 0.0° |
| H4 | C1B | C2B | O2B | 50.9° | 36.8° |
| H4 | C1B | C2B | C3B | 71.8° | 81.4° |
| H4 | C1B | C2B | H2' | 174.2° | 160.3° |
| H4 | C1B | N9A | C8A | 155.2° | 146.5° |
| H4 | C1B | N9A | C4A | 25.3° | 33.8° |
| O2B | C2B | C3B | H2' | 124.7° | 123.5° |
| O2B | C2B | C3B | O3B | 27.6° | 20.5° |
| O2B | C2B | C3B | H3' | 96.1° | 102.2° |
| C3B | C2B | O2B | H8 | 66.4° | 67.3° |
| C2B | C3B | O3B | H3' | 122.7° | 122.6° |
| C2B | C3B | O3B | H9 | 64.9° | 65.3° |
| H2' | C2B | O2B | H8 | 57.5° | 56.3° |
| H2' | C2B | C3B | O3B | 152.3° | 144.0° |
| H2' | C2B | C3B | H3' | 28.7° | 21.3° |
| H3' | C3B | O3B | H9 | 57.8° | 57.3° |
| N9A | C8A | N7A | H10 | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 0.3° | 0.0° |
| C8A | N9A | C4A | C5A | 1.1° | 0.4° |
| C8A | N9A | C4A | N3A | 179.7° | 179.7° |
| C4A | N9A | C8A | N7A | 0.9° | 0.3° |
| C4A | N9A | C8A | H10 | 179.2° | 179.7° |
| N9A | C4A | C5A | N7A | 0.9° | 0.5° |
| N9A | C4A | C5A | C6A | 179.9° | 179.8° |
| N9A | C4A | C5A | N3A | 179.3° | 179.9° |
| N9A | C4A | N3A | C2A | 178.5° | 180.0° |
| C8A | N7A | C5A | C6A | 179.4° | 180.0° |
| C8A | N7A | C5A | C4A | 0.4° | 0.3° |
| H10 | C8A | N7A | C5A | 179.7° | 180.0° |
| N7A | C5A | C6A | C4A | 178.9° | 179.7° |
| N7A | C5A | C6A | N6A | 2.5° | 0.0° |
| N7A | C5A | C6A | N1A | 179.7° | 180.0° |
| N7A | C5A | C4A | N3A | 179.8° | 179.7° |
| C5A | C6A | N6A | N1A | 177.3° | 180.0° |
| C5A | C6A | N6A | HN61 | 177.3° | 0.0° |
| C5A | C6A | N6A | HN62 | 62.8° | 179.9° |
| C6A | C5A | C4A | N3A | 0.6° | 0.1° |
| C5A | C6A | N1A | C2A | 0.2° | 1.0° |
| C4A | C5A | C6A | N6A | 176.4° | 179.7° |
| C4A | C5A | C6A | N1A | 0.8° | 0.3° |
| C5A | C4A | N3A | C2A | 0.6° | 0.1° |
| C6A | N6A | HN61 | HN62 | 120.0° | 180.0° |
| N6A | C6A | N1A | C2A | 177.5° | 179.0° |
| N1A | C6A | N6A | HN61 | 0.0° | 180.0° |
| N1A | C6A | N6A | HN62 | 120.0° | 0.0° |
| C6A | N1A | C2A | N3A | 1.5° | 1.3° |
| C6A | N1A | C2A | H111 | 178.5° | 179.5° |
| C4A | N3A | C2A | N1A | 1.7° | 0.8° |
| C4A | N3A | C2A | H111 | 178.3° | 180.0° |
| N3A | C2A | N1A | H111 | 180.0° | 179.2° |
