NJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O3 | sing | 1.61Å | 1.62Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| PN | O3 | sing | 1.61Å | 1.62Å | |
| PN | O2N | sing | 1.61Å | 1.51Å | |
| PN | O5D | sing | 1.61Å | 1.61Å | |
| N1A | C6A | sing | 1.33Å | 1.36Å | Aromatic |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| C1B | O4B | sing | 1.44Å | 1.42Å | |
| C1B | N9A | sing | 1.47Å | 1.47Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C1D | N1N | sing | 1.47Å | 1.47Å | |
| C1D | C2D | sing | 1.55Å | 1.52Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| N1N | C6N | sing | 1.32Å | 1.42Å | Aromatic |
| O1N | PN | doub | 1.48Å | 1.51Å | |
| O1X | P2B | doub | 1.48Å | 1.51Å | |
| C2A | N1A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| C2B | C1B | sing | 1.55Å | 1.53Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | C2B | sing | 1.43Å | 1.43Å | |
| O2B | P2B | sing | 1.61Å | 1.62Å | |
| P2B | O3X | sing | 1.61Å | 1.51Å | |
| P2B | O2X | sing | 1.61Å | 1.52Å | |
| C2D | O2D | sing | 1.43Å | 1.44Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| C2N | N1N | doub | 1.32Å | 1.42Å | Aromatic |
| C2N | C3N | sing | 1.40Å | 1.39Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| O2N | HO2N | sing | 0.97Å | 0.95Å | |
| O2X | HO2X | sing | 0.97Å | 0.95Å | |
| N3A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.36Å | Aromatic |
| C3B | C2B | sing | 1.55Å | 1.51Å | |
| C3B | C4B | sing | 1.55Å | 1.52Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | C3B | sing | 1.43Å | 1.44Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C3D | C2D | sing | 1.55Å | 1.53Å | |
| C3D | O3D | sing | 1.43Å | 1.44Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3D | sing | 0.97Å | 0.95Å | |
| C3N | C4N | doub | 1.40Å | 1.40Å | Aromatic |
| O3X | HO3X | sing | 0.97Å | 0.95Å | |
| C4A | C5A | sing | 1.41Å | 1.39Å | Aromatic |
| C4B | C5B | sing | 1.53Å | 1.51Å | |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C4D | C3D | sing | 1.54Å | 1.53Å | |
| C4D | O4D | sing | 1.44Å | 1.43Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | C1D | sing | 1.44Å | 1.43Å | |
| C4N | C5N | sing | 1.39Å | 1.39Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5A | C6A | doub | 1.41Å | 1.39Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.35Å | Aromatic |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| O5B | PA | sing | 1.61Å | 1.61Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5D | C4D | sing | 1.53Å | 1.53Å | |
| C5D | O5D | sing | 1.43Å | 1.43Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C5D | H5DA | sing | 1.09Å | 1.10Å | |
| C5N | O8N | sing | 1.36Å | 1.36Å | |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| C6N | C5N | doub | 1.39Å | 1.40Å | Aromatic |
| C6N | H6N | sing | 1.08Å | 1.08Å | |
| C7N | C3N | sing | 1.48Å | 1.50Å | |
| C7N | O7N | doub | 1.22Å | 1.22Å | |
| N7N | C7N | sing | 1.35Å | 1.33Å | |
| N7N | HN7N | sing | 0.97Å | 1.00Å | |
| N7N | HN7A | sing | 0.97Å | 1.00Å | |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| O8N | HO8N | sing | 0.97Å | 0.95Å | |
| N9A | C4A | sing | 1.37Å | 1.33Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | PA | O1A | 104.1° | 109.5° |
| PA | O3 | PN | 129.4° | 134.0° |
| O3 | PA | O2A | 111.9° | 109.5° |
| O3 | PA | O5B | 103.6° | 109.4° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O1A | PA | O2A | 119.4° | 109.5° |
| O1A | PA | O5B | 108.8° | 109.5° |
| O3 | PN | O2N | 106.2° | 109.5° |
| O3 | PN | O5D | 98.1° | 109.5° |
| O3 | PN | O1N | 112.1° | 109.5° |
| O2N | PN | O5D | 110.7° | 109.5° |
| O2N | PN | O1N | 118.8° | 109.5° |
| PN | O2N | HO2N | 109.5° | 114.0° |
| O5D | PN | O1N | 109.0° | 109.5° |
| PN | O5D | C5D | 122.2° | 123.0° |
| C6A | N1A | C2A | 122.2° | 121.2° |
| N1A | C6A | C5A | 118.7° | 118.5° |
| N1A | C6A | N6A | 121.3° | 120.8° |
| O4B | C1B | N9A | 113.1° | 110.4° |
| O4B | C1B | H1B | 109.3° | 110.4° |
| O4B | C1B | C2B | 106.5° | 104.8° |
| C1B | O4B | C4B | 108.1° | 105.3° |
| N9A | C1B | H1B | 105.6° | 110.3° |
| N9A | C1B | C2B | 110.2° | 110.4° |
| C1B | N9A | C4A | 122.8° | 126.3° |
| C1B | N9A | C8A | 127.8° | 126.3° |
| H1B | C1B | C2B | 112.2° | 110.5° |
| N1N | C1D | C2D | 120.0° | 110.6° |
| N1N | C1D | H1D | 104.1° | 110.5° |
| C1D | N1N | C6N | 117.4° | 119.0° |
| C1D | N1N | C2N | 120.6° | 119.0° |
| N1N | C1D | O4D | 104.7° | 110.6° |
| C2D | C1D | H1D | 105.3° | 110.6° |
| C1D | C2D | O2D | 111.6° | 111.0° |
| C1D | C2D | H2D | 115.5° | 110.9° |
| C1D | C2D | C3D | 100.7° | 102.1° |
| C2D | C1D | O4D | 103.5° | 103.5° |
| H1D | C1D | O4D | 120.5° | 110.7° |
| C6N | N1N | C2N | 118.8° | 122.0° |
| N1N | C6N | C5N | 119.5° | 121.0° |
| N1N | C6N | H6N | 120.2° | 119.5° |
| O1X | P2B | O2B | 102.7° | 109.5° |
| O1X | P2B | O3X | 114.0° | 109.5° |
| O1X | P2B | O2X | 114.2° | 109.5° |
| N1A | C2A | H2A | 119.9° | 118.7° |
| N1A | C2A | N3A | 120.1° | 122.5° |
| H2A | C2A | N3A | 119.9° | 118.8° |
| O2A | PA | O5B | 107.9° | 109.5° |
| C1B | C2B | H2B | 113.2° | 110.5° |
| C1B | C2B | O2B | 112.2° | 110.5° |
| C1B | C2B | C3B | 101.3° | 104.1° |
| H2B | C2B | O2B | 105.2° | 110.5° |
| H2B | C2B | C3B | 115.5° | 110.5° |
| C2B | O2B | P2B | 125.2° | 123.0° |
| O2B | C2B | C3B | 109.8° | 110.6° |
| O2B | P2B | O3X | 102.3° | 109.5° |
| O2B | P2B | O2X | 109.2° | 109.5° |
| O3X | P2B | O2X | 113.0° | 109.5° |
| P2B | O3X | HO3X | 109.5° | 114.0° |
| P2B | O2X | HO2X | 109.5° | 114.0° |
| O2D | C2D | H2D | 102.5° | 110.8° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| O2D | C2D | C3D | 114.0° | 110.9° |
| H2D | C2D | C3D | 113.1° | 110.9° |
| N1N | C2N | C3N | 120.0° | 120.6° |
| N1N | C2N | H2N | 120.0° | 119.7° |
| C3N | C2N | H2N | 120.0° | 119.7° |
| C2N | C3N | C4N | 120.2° | 119.0° |
| C2N | C3N | C7N | 121.8° | 120.5° |
| C2A | N3A | C4A | 120.0° | 120.6° |
| N3A | C4A | C5A | 120.7° | 119.1° |
| N3A | C4A | N9A | 132.2° | 135.0° |
| C2B | C3B | C4B | 104.0° | 104.0° |
| C2B | C3B | H3B | 113.4° | 110.5° |
| C2B | C3B | O3B | 108.7° | 110.5° |
| C4B | C3B | H3B | 112.7° | 110.5° |
| C4B | C3B | O3B | 109.4° | 110.5° |
| C3B | C4B | C5B | 111.1° | 110.3° |
| C3B | C4B | O4B | 108.0° | 104.8° |
| C3B | C4B | H4B | 108.6° | 110.4° |
| H3B | C3B | O3B | 108.4° | 110.6° |
| C3B | O3B | HO3B | 109.5° | 114.0° |
| C2D | C3D | O3D | 111.4° | 110.5° |
| C2D | C3D | H3D | 110.8° | 110.5° |
| C2D | C3D | C4D | 104.3° | 104.2° |
| O3D | C3D | H3D | 108.4° | 110.4° |
| C3D | O3D | HO3D | 109.5° | 114.0° |
| O3D | C3D | C4D | 106.9° | 110.4° |
| H3D | C3D | C4D | 115.0° | 110.6° |
| C3N | C4N | C5N | 120.5° | 118.2° |
| C3N | C4N | H4N | 119.8° | 120.9° |
| C4N | C3N | C7N | 118.0° | 120.5° |
| C4A | C5A | C6A | 118.3° | 118.2° |
| C4A | C5A | N7A | 107.8° | 107.1° |
| C5A | C4A | N9A | 107.0° | 106.0° |
| C5B | C4B | O4B | 107.1° | 110.4° |
| C5B | C4B | H4B | 109.5° | 110.3° |
| C4B | C5B | H5B | 110.1° | 109.5° |
| C4B | C5B | H5BA | 110.1° | 109.5° |
| C4B | C5B | O5B | 107.5° | 109.5° |
| O4B | C4B | H4B | 112.5° | 110.5° |
| C3D | C4D | O4D | 105.6° | 107.3° |
| C3D | C4D | H4D | 109.5° | 109.8° |
| C3D | C4D | C5D | 114.0° | 109.9° |
| O4D | C4D | H4D | 112.9° | 109.9° |
| C4D | O4D | C1D | 109.7° | 107.0° |
| O4D | C4D | C5D | 110.7° | 109.9° |
| H4D | C4D | C5D | 104.3° | 110.0° |
| C5N | C4N | H4N | 119.8° | 120.9° |
| C4N | C5N | O8N | 118.5° | 120.4° |
| C4N | C5N | C6N | 120.3° | 119.2° |
| C6A | C5A | N7A | 134.0° | 134.7° |
| C5A | C6A | N6A | 120.0° | 120.7° |
| C5A | N7A | C8A | 107.6° | 109.4° |
| H5B | C5B | H5BA | 108.8° | 109.5° |
| H5B | C5B | O5B | 110.2° | 109.5° |
| H5BA | C5B | O5B | 110.1° | 109.4° |
| PA | O5B | C5B | 119.0° | 123.0° |
| C4D | C5D | O5D | 108.6° | 109.5° |
| C4D | C5D | H5D | 109.7° | 109.4° |
| C4D | C5D | H5DA | 109.8° | 109.5° |
| O5D | C5D | H5D | 109.8° | 109.5° |
| O5D | C5D | H5DA | 109.8° | 109.5° |
| H5D | C5D | H5DA | 109.2° | 109.5° |
| O8N | C5N | C6N | 121.2° | 120.4° |
| C5N | O8N | HO8N | 109.5° | 114.0° |
| C6A | N6A | HN6A | 109.5° | 119.9° |
| C6A | N6A | HN6B | 109.5° | 120.1° |
| HN6A | N6A | HN6B | 109.4° | 120.0° |
| C5N | C6N | H6N | 120.3° | 119.5° |
| C3N | C7N | O7N | 118.9° | 120.0° |
| C3N | C7N | N7N | 119.7° | 120.0° |
| O7N | C7N | N7N | 121.3° | 120.0° |
| C7N | N7N | HN7N | 120.0° | 120.0° |
| C7N | N7N | HN7A | 120.0° | 120.0° |
| HN7N | N7N | HN7A | 120.0° | 120.0° |
| N7A | C8A | H8A | 125.9° | 125.0° |
| N7A | C8A | N9A | 108.2° | 110.0° |
| H8A | C8A | N9A | 125.9° | 125.0° |
| C4A | N9A | C8A | 109.4° | 107.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | PA | O1A | O2A | 125.6° | 120.0° |
| O3 | PA | O1A | O5B | 110.0° | 120.0° |
| PA | O3 | PN | O2N | 130.2° | 80.0° |
| PA | O3 | PN | O5D | 115.3° | 160.0° |
| O3 | PA | O1A | HO1A | 125.7° | 60.0° |
| PA | O3 | PN | O1N | 1.0° | 40.0° |
| O3 | PA | O2A | O5B | 113.4° | 120.0° |
| O3 | PA | O5B | C5B | 67.3° | 175.0° |
| O1A | PA | O3 | PN | 171.3° | 75.0° |
| O1A | PA | O2A | O5B | 124.8° | 120.0° |
| O1A | PA | O5B | C5B | 43.0° | 65.1° |
| O3 | PN | O2N | O5D | 105.5° | 120.0° |
| O3 | PN | O2N | O1N | 127.3° | 120.0° |
| O3 | PN | O5D | O1N | 116.8° | 120.0° |
| PN | O3 | PA | O2A | 58.4° | 45.0° |
| O3 | PN | O2N | HO2N | 127.3° | 60.0° |
| PN | O3 | PA | O5B | 57.5° | 165.0° |
| O3 | PN | O5D | C5D | 150.8° | 175.0° |
| O2N | PN | O5D | O1N | 132.4° | 120.0° |
| O2N | PN | O5D | C5D | 98.4° | 65.0° |
| O5D | PN | O2N | HO2N | 127.1° | 60.0° |
| PN | O5D | C5D | C4D | 134.4° | 180.0° |
| PN | O5D | C5D | H5D | 14.4° | 60.0° |
| PN | O5D | C5D | H5DA | 105.6° | 60.0° |
| C6A | N1A | C2A | H2A | 179.4° | 180.0° |
| C6A | N1A | C2A | N3A | 0.6° | 0.1° |
| N1A | C6A | C5A | C4A | 1.1° | 0.0° |
| N1A | C6A | C5A | N6A | 179.5° | 180.0° |
| N1A | C6A | C5A | N7A | 179.9° | 179.9° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.1° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| HO1A | O1A | PA | O2A | 0.0° | 180.0° |
| HO1A | O1A | PA | O5B | 124.4° | 60.0° |
| O4B | C1B | N9A | H1B | 119.5° | 122.2° |
| O4B | C1B | N9A | C2B | 119.1° | 115.4° |
| O4B | C1B | H1B | C2B | 118.0° | 115.4° |
| O4B | C1B | C2B | H2B | 89.1° | 94.7° |
| O4B | C1B | C2B | O2B | 152.0° | 142.7° |
| O4B | C1B | C2B | C3B | 35.1° | 24.0° |
| C1B | O4B | C4B | C3B | 8.3° | 40.5° |
| C1B | O4B | C4B | C5B | 128.1° | 159.3° |
| C1B | O4B | C4B | H4B | 111.6° | 78.4° |
| O4B | C1B | N9A | C4A | 130.4° | 156.4° |
| O4B | C1B | N9A | C8A | 50.1° | 23.6° |
| N9A | C1B | H1B | C2B | 120.1° | 122.3° |
| N9A | C1B | C2B | H2B | 33.9° | 24.1° |
| N9A | C1B | C2B | O2B | 84.9° | 98.4° |
| C1B | N9A | C4A | N3A | 0.3° | 0.0° |
| N9A | C1B | C2B | C3B | 158.1° | 142.8° |
| C1B | N9A | C4A | C5A | 179.2° | 180.0° |
| N9A | C1B | O4B | C4B | 148.6° | 159.3° |
| C1B | N9A | C8A | N7A | 179.1° | 180.0° |
| C1B | N9A | C8A | H8A | 0.9° | 0.0° |
| C1B | N9A | C4A | C8A | 179.6° | 180.0° |
| H1B | C1B | C2B | H2B | 151.3° | 146.4° |
| H1B | C1B | C2B | O2B | 32.4° | 23.8° |
| H1B | C1B | C2B | C3B | 84.5° | 94.9° |
| H1B | C1B | O4B | C4B | 94.0° | 78.4° |
| H1B | C1B | N9A | C4A | 10.9° | 34.2° |
| H1B | C1B | N9A | C8A | 169.6° | 145.8° |
| N1N | C1D | C2D | H1D | 116.7° | 122.9° |
| N1N | C1D | C2D | O4D | 116.1° | 118.5° |
| N1N | C1D | H1D | O4D | 116.8° | 122.9° |
| C1D | N1N | C6N | C2N | 159.9° | 179.7° |
| N1N | C1D | C2D | O2D | 82.7° | 86.3° |
| N1N | C1D | C2D | H2D | 33.8° | 37.3° |
| C1D | N1N | C2N | C3N | 168.2° | 180.0° |
| C1D | N1N | C2N | H2N | 11.8° | 0.0° |
| N1N | C1D | C2D | C3D | 156.0° | 155.5° |
| N1N | C1D | O4D | C4D | 160.1° | 158.6° |
| C1D | N1N | C6N | C5N | 169.4° | 179.7° |
| C1D | N1N | C6N | H6N | 10.6° | 0.0° |
| C2D | C1D | H1D | O4D | 116.2° | 114.2° |
| C2D | C1D | N1N | C6N | 107.7° | 80.0° |
| C1D | C2D | O2D | H2D | 124.2° | 123.7° |
| C1D | C2D | O2D | C3D | 113.2° | 112.7° |
| C1D | C2D | H2D | C3D | 115.3° | 112.7° |
| C1D | C2D | O2D | HO2D | 180.0° | 180.0° |
| C2D | C1D | N1N | C2N | 51.8° | 100.3° |
| C1D | C2D | C3D | O3D | 82.8° | 97.8° |
| C1D | C2D | C3D | H3D | 156.5° | 139.7° |
| C1D | C2D | C3D | C4D | 32.3° | 20.8° |
| C2D | C1D | O4D | C4D | 33.6° | 40.0° |
| H1D | C1D | N1N | C6N | 9.6° | 157.0° |
| H1D | C1D | C2D | O2D | 34.0° | 36.6° |
| H1D | C1D | C2D | H2D | 150.5° | 160.2° |
| H1D | C1D | N1N | C2N | 169.1° | 22.6° |
| H1D | C1D | C2D | C3D | 87.3° | 81.6° |
| H1D | C1D | O4D | C4D | 83.4° | 78.6° |
| C6N | N1N | C2N | C3N | 9.0° | 0.3° |
| C6N | N1N | C2N | H2N | 171.0° | 179.7° |
| C6N | N1N | C1D | O4D | 136.9° | 34.1° |
| N1N | C6N | C5N | C4N | 6.4° | 0.5° |
| N1N | C6N | C5N | O8N | 176.3° | 179.7° |
| N1N | C6N | C5N | H6N | 180.0° | 179.7° |
| O1N | PN | O2N | HO2N | 0.0° | 180.0° |
| O1N | PN | O5D | C5D | 34.0° | 55.0° |
| O1X | P2B | O2B | C2B | 150.3° | 55.0° |
| O1X | P2B | O2B | O3X | 118.4° | 120.0° |
| O1X | P2B | O2B | O2X | 121.5° | 120.0° |
| O1X | P2B | O3X | O2X | 132.6° | 120.0° |
| O1X | P2B | O2X | HO2X | 0.0° | 60.0° |
| O1X | P2B | O3X | HO3X | 0.0° | 180.0° |
| N1A | C2A | H2A | N3A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.1° | 0.1° |
| C2A | N1A | C6A | C5A | 1.2° | 0.1° |
| C2A | N1A | C6A | N6A | 179.4° | 180.0° |
| H2A | C2A | N3A | C4A | 179.9° | 180.0° |
| O2A | PA | O5B | C5B | 174.0° | 55.0° |
| C1B | C2B | H2B | O2B | 122.8° | 122.6° |
| C1B | C2B | H2B | C3B | 116.0° | 114.7° |
| C1B | C2B | O2B | C3B | 111.8° | 114.7° |
| C1B | C2B | O2B | P2B | 107.8° | 120.0° |
| C1B | C2B | C3B | C4B | 28.7° | 0.0° |
| C1B | C2B | C3B | H3B | 151.5° | 118.6° |
| C1B | C2B | C3B | O3B | 87.9° | 118.7° |
| C2B | C1B | O4B | C4B | 27.5° | 40.5° |
| C2B | C1B | N9A | C4A | 110.5° | 88.2° |
| C2B | C1B | N9A | C8A | 69.0° | 91.8° |
| H2B | C2B | O2B | C3B | 124.8° | 122.7° |
| H2B | C2B | O2B | P2B | 15.6° | 2.6° |
| H2B | C2B | C3B | C4B | 93.9° | 118.7° |
| H2B | C2B | C3B | H3B | 28.9° | 0.0° |
| H2B | C2B | C3B | O3B | 149.5° | 122.7° |
| C2B | O2B | P2B | O3X | 91.3° | 65.0° |
| C2B | O2B | P2B | O2X | 28.8° | 175.0° |
| O2B | C2B | C3B | C4B | 147.4° | 118.7° |
| O2B | C2B | C3B | H3B | 89.8° | 122.7° |
| O2B | C2B | C3B | O3B | 30.8° | 0.0° |
| O2B | P2B | O3X | O2X | 117.3° | 120.0° |
| O2B | P2B | O2X | HO2X | 114.2° | 180.0° |
| P2B | O2B | C2B | C3B | 140.4° | 125.3° |
| O2B | P2B | O3X | HO3X | 110.1° | 60.0° |
| O3X | P2B | O2X | HO2X | 132.5° | 60.0° |
| O2X | P2B | O3X | HO3X | 132.6° | 60.0° |
| O2D | C2D | H2D | C3D | 123.2° | 123.6° |
| O2D | C2D | C3D | O3D | 36.8° | 20.5° |
| O2D | C2D | C3D | H3D | 83.9° | 102.0° |
| O2D | C2D | C3D | C4D | 151.8° | 139.1° |
| O2D | C2D | C1D | O4D | 161.2° | 155.2° |
| H2D | C2D | O2D | HO2D | 55.8° | 56.3° |
| H2D | C2D | C3D | O3D | 153.4° | 144.0° |
| H2D | C2D | C3D | H3D | 32.7° | 21.5° |
| H2D | C2D | C3D | C4D | 91.5° | 97.3° |
| H2D | C2D | C1D | O4D | 82.2° | 81.2° |
| HO2D | O2D | C2D | C3D | 66.8° | 67.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.9° |
| N1N | C2N | C3N | C4N | 5.1° | 0.0° |
| C2N | N1N | C1D | O4D | 63.6° | 145.6° |
| C2N | N1N | C6N | C5N | 9.6° | 0.6° |
| C2N | N1N | C6N | H6N | 170.5° | 179.7° |
| N1N | C2N | C3N | C7N | 174.8° | 180.0° |
| C2N | C3N | C4N | C7N | 179.9° | 180.0° |
| C2N | C3N | C4N | C5N | 1.8° | 0.0° |
| C2N | C3N | C4N | H4N | 178.2° | 180.0° |
| C2N | C3N | C7N | O7N | 168.0° | 0.0° |
| C2N | C3N | C7N | N7N | 15.6° | 180.0° |
| H2N | C2N | C3N | C4N | 174.9° | 180.0° |
| H2N | C2N | C3N | C7N | 5.2° | 0.0° |
| C2A | N3A | C4A | C5A | 0.1° | 0.0° |
| C2A | N3A | C4A | N9A | 179.6° | 180.0° |
| N3A | C4A | C5A | N9A | 179.6° | 180.0° |
| N3A | C4A | C5A | C6A | 0.5° | 0.0° |
| N3A | C4A | C5A | N7A | 179.7° | 180.0° |
| N3A | C4A | N9A | C8A | 179.9° | 180.0° |
| C2B | C3B | C4B | H3B | 123.3° | 118.7° |
| C2B | C3B | C4B | O3B | 116.1° | 118.6° |
| C2B | C3B | H3B | O3B | 120.8° | 122.7° |
| C2B | C3B | O3B | HO3B | 180.0° | 179.9° |
| C2B | C3B | C4B | C5B | 103.2° | 142.8° |
| C2B | C3B | C4B | O4B | 14.0° | 24.0° |
| C2B | C3B | C4B | H4B | 136.3° | 95.0° |
| C4B | C3B | H3B | O3B | 121.3° | 122.7° |
| C4B | C3B | O3B | HO3B | 67.0° | 65.3° |
| C3B | C4B | C5B | O4B | 117.8° | 115.4° |
| C3B | C4B | C5B | H4B | 120.0° | 122.2° |
| C3B | C4B | O4B | H4B | 119.9° | 118.9° |
| C3B | C4B | C5B | H5B | 58.5° | 55.0° |
| C3B | C4B | C5B | H5BA | 178.5° | 65.0° |
| C3B | C4B | C5B | O5B | 61.5° | 175.0° |
| H3B | C3B | O3B | HO3B | 56.3° | 57.4° |
| H3B | C3B | C4B | C5B | 20.0° | 24.2° |
| H3B | C3B | C4B | O4B | 137.3° | 94.7° |
| H3B | C3B | C4B | H4B | 100.4° | 146.3° |
| O3B | C3B | C4B | C5B | 140.7° | 98.6° |
| O3B | C3B | C4B | O4B | 102.0° | 142.6° |
| O3B | C3B | C4B | H4B | 20.2° | 23.6° |
| C2D | C3D | O3D | H3D | 122.1° | 122.6° |
| C2D | C3D | O3D | C4D | 113.4° | 114.8° |
| C2D | C3D | H3D | C4D | 118.0° | 114.9° |
| C2D | C3D | O3D | HO3D | 180.0° | 61.5° |
| C2D | C3D | C4D | O4D | 13.6° | 2.0° |
| C2D | C3D | C4D | H4D | 135.5° | 117.4° |
| C3D | C2D | C1D | O4D | 40.0° | 37.0° |
| C2D | C3D | C4D | C5D | 108.1° | 121.5° |
| O3D | C3D | H3D | C4D | 119.6° | 122.6° |
| O3D | C3D | C4D | O4D | 104.5° | 120.7° |
| O3D | C3D | C4D | H4D | 17.3° | 1.3° |
| O3D | C3D | C4D | C5D | 133.7° | 119.9° |
| H3D | C3D | O3D | HO3D | 57.9° | 61.1° |
| H3D | C3D | C4D | O4D | 135.1° | 116.8° |
| H3D | C3D | C4D | H4D | 103.0° | 123.8° |
| H3D | C3D | C4D | C5D | 13.4° | 2.7° |
| HO3D | O3D | C3D | C4D | 66.6° | 176.2° |
| C3N | C4N | C5N | H4N | 180.0° | 179.9° |
| C3N | C4N | C5N | O8N | 179.8° | 180.0° |
| C3N | C4N | C5N | C6N | 2.4° | 0.2° |
| C4N | C3N | C7N | O7N | 12.1° | 179.9° |
| C4N | C3N | C7N | N7N | 164.3° | 0.0° |
| C4A | C5A | C6A | N7A | 179.0° | 180.0° |
| C4A | C5A | C6A | N6A | 179.4° | 180.0° |
| C4A | C5A | N7A | C8A | 0.2° | 0.0° |
| C5A | C4A | N9A | C8A | 0.4° | 0.0° |
| C5B | C4B | O4B | H4B | 120.4° | 122.3° |
| C4B | C5B | H5B | H5BA | 120.8° | 120.1° |
| C4B | C5B | H5B | O5B | 118.4° | 120.0° |
| C4B | C5B | H5BA | O5B | 118.4° | 120.0° |
| C4B | C5B | O5B | PA | 175.3° | 180.0° |
| O4B | C4B | C5B | H5B | 59.3° | 170.4° |
| O4B | C4B | C5B | H5BA | 60.7° | 50.4° |
| O4B | C4B | C5B | O5B | 179.3° | 69.6° |
| H4B | C4B | C5B | H5B | 178.4° | 67.2° |
| H4B | C4B | C5B | H5BA | 61.6° | 172.8° |
| H4B | C4B | C5B | O5B | 58.4° | 52.8° |
| C3D | C4D | O4D | H4D | 119.6° | 119.4° |
| C3D | C4D | O4D | C5D | 123.8° | 119.4° |
| C3D | C4D | H4D | C5D | 122.4° | 121.1° |
| C3D | C4D | O4D | C1D | 12.5° | 26.5° |
| C3D | C4D | C5D | O5D | 51.0° | 175.0° |
| C3D | C4D | C5D | H5D | 171.0° | 55.0° |
| C3D | C4D | C5D | H5DA | 69.0° | 65.0° |
| O4D | C4D | H4D | C5D | 120.3° | 121.1° |
| O4D | C4D | C5D | O5D | 67.8° | 67.2° |
| O4D | C4D | C5D | H5D | 52.2° | 172.8° |
| O4D | C4D | C5D | H5DA | 172.1° | 52.8° |
| H4D | C4D | O4D | C1D | 107.2° | 92.9° |
| H4D | C4D | C5D | O5D | 170.4° | 54.0° |
| H4D | C4D | C5D | H5D | 69.6° | 66.0° |
| H4D | C4D | C5D | H5DA | 50.4° | 174.0° |
| C1D | O4D | C4D | C5D | 136.3° | 145.9° |
| C4N | C5N | O8N | C6N | 177.4° | 179.8° |
| C4N | C5N | C6N | H6N | 173.7° | 179.8° |
| C5N | C4N | C3N | C7N | 178.1° | 180.0° |
| C4N | C5N | O8N | HO8N | 180.0° | 90.0° |
| H4N | C4N | C5N | O8N | 0.2° | 0.1° |
| H4N | C4N | C5N | C6N | 177.6° | 179.7° |
| H4N | C4N | C3N | C7N | 1.9° | 0.0° |
| C5A | C6A | N6A | HN6A | 179.5° | 180.0° |
| C5A | C6A | N6A | HN6B | 59.5° | 0.0° |
| C6A | C5A | N7A | C8A | 179.2° | 180.0° |
| C6A | C5A | C4A | N9A | 179.1° | 180.0° |
| N7A | C5A | C6A | N6A | 0.4° | 0.0° |
| C5A | N7A | C8A | H8A | 179.6° | 180.0° |
| N7A | C5A | C4A | N9A | 0.1° | 0.0° |
| C5A | N7A | C8A | N9A | 0.4° | 0.0° |
| H5B | C5B | H5BA | O5B | 120.8° | 120.0° |
| H5B | C5B | O5B | PA | 55.3° | 60.0° |
| H5BA | C5B | O5B | PA | 64.7° | 60.0° |
| C4D | C5D | O5D | H5D | 120.0° | 119.9° |
| C4D | C5D | O5D | H5DA | 120.0° | 120.0° |
| C4D | C5D | H5D | H5DA | 120.3° | 120.0° |
| O5D | C5D | H5D | H5DA | 120.4° | 120.0° |
| O8N | C5N | C6N | H6N | 3.7° | 0.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| C6N | C5N | O8N | HO8N | 2.6° | 89.8° |
| C3N | C7N | O7N | N7N | 176.4° | 179.9° |
| C3N | C7N | N7N | HN7N | 176.4° | 0.1° |
| C3N | C7N | N7N | HN7A | 3.6° | 180.0° |
| O7N | C7N | N7N | HN7N | 0.0° | 180.0° |
| O7N | C7N | N7N | HN7A | 180.0° | 0.0° |
| C7N | N7N | HN7N | HN7A | 180.0° | 180.0° |
| N7A | C8A | H8A | N9A | 180.0° | 180.0° |
| N7A | C8A | N9A | C4A | 0.5° | 0.0° |
| H8A | C8A | N9A | C4A | 179.6° | 180.0° |
