N01
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | PA | sing | 1.61Å | 1.59Å | |
| O3 | PN | sing | 1.61Å | 1.62Å | |
| PA | O1A | sing | 1.55Å | 1.55Å | |
| PA | O2A | doub | 1.55Å | 1.51Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| PN | O1N | sing | 1.55Å | 1.56Å | |
| PN | O2N | doub | 1.54Å | 1.53Å | |
| PN | O5D | sing | 1.61Å | 1.59Å | |
| N1A | C2A | doub | 1.32Å | 1.36Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.34Å | Aromatic |
| C1B | C2B | sing | 1.55Å | 1.57Å | |
| C1B | O4B | sing | 1.44Å | 1.41Å | |
| C1B | N9A | sing | 1.46Å | 1.48Å | |
| C1D | N1N | sing | 1.46Å | 1.50Å | |
| C1D | C2D | sing | 1.55Å | 1.58Å | |
| C1D | O4D | sing | 1.44Å | 1.48Å | |
| N1N | C2N | doub | 1.32Å | 1.36Å | Aromatic |
| N1N | C6N | sing | 1.32Å | 1.36Å | Aromatic |
| O1X | P2B | sing | 1.57Å | 1.55Å | |
| C2A | N3A | sing | 1.32Å | 1.32Å | Aromatic |
| C2B | O2B | sing | 1.43Å | 1.44Å | |
| C2B | C3B | sing | 1.55Å | 1.57Å | |
| O2B | P2B | sing | 1.61Å | 1.67Å | |
| P2B | O2X | sing | 1.57Å | 1.57Å | |
| P2B | O3X | doub | 1.57Å | 1.55Å | |
| C2D | O2D | sing | 1.43Å | 1.43Å | |
| C2D | C3D | sing | 1.55Å | 1.55Å | |
| C2N | C3N | sing | 1.40Å | 1.43Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.32Å | Aromatic |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| C3B | C4B | sing | 1.54Å | 1.58Å | |
| C3D | O3D | sing | 1.43Å | 1.41Å | |
| C3D | C4D | sing | 1.54Å | 1.56Å | |
| C3N | C4N | doub | 1.40Å | 1.44Å | Aromatic |
| C3N | C7N | sing | 1.47Å | 1.50Å | |
| C4A | C5A | sing | 1.41Å | 1.42Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.35Å | Aromatic |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C5B | sing | 1.53Å | 1.51Å | |
| C4D | O4D | sing | 1.44Å | 1.45Å | |
| C4D | C5D | sing | 1.53Å | 1.54Å | |
| C4N | C5N | sing | 1.38Å | 1.44Å | Aromatic |
| C5A | C6A | doub | 1.40Å | 1.42Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.37Å | Aromatic |
| C5B | O5B | sing | 1.43Å | 1.43Å | |
| C5D | O5D | sing | 1.43Å | 1.41Å | |
| C5N | C6N | doub | 1.38Å | 1.42Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.40Å | |
| N7A | C8A | doub | 1.30Å | 1.35Å | Aromatic |
| C7N | O7N | doub | 1.21Å | 1.21Å | |
| C7N | CAA | sing | 1.51Å | 1.39Å | |
| C8A | N9A | sing | 1.36Å | 1.38Å | Aromatic |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| C2N | H2N | sing | 1.08Å | 1.08Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HO3D | sing | 0.97Å | 0.95Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C5D | H5DA | sing | 1.09Å | 1.10Å | |
| C5N | H5N | sing | 1.08Å | 1.08Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| C6N | H6N | sing | 1.08Å | 1.08Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PA | O3 | PN | 124.6° | 134.0° |
| O3 | PA | O1A | 95.1° | 109.4° |
| O3 | PA | O2A | 110.7° | 109.5° |
| O3 | PA | O5B | 110.0° | 109.5° |
| O3 | PN | O1N | 114.9° | 109.5° |
| O3 | PN | O2N | 100.3° | 109.4° |
| O3 | PN | O5D | 106.0° | 109.5° |
| O1A | PA | O2A | 113.4° | 109.4° |
| O1A | PA | O5B | 115.6° | 109.5° |
| O2A | PA | O5B | 111.0° | 109.5° |
| PA | O5B | C5B | 112.9° | 123.0° |
| O1N | PN | O2N | 114.1° | 109.5° |
| O1N | PN | O5D | 111.6° | 109.5° |
| O2N | PN | O5D | 109.1° | 109.5° |
| PN | O5D | C5D | 114.0° | 123.0° |
| C2A | N1A | C6A | 123.5° | 121.1° |
| N1A | C2A | N3A | 121.4° | 122.5° |
| N1A | C2A | H2A | 119.3° | 118.8° |
| N1A | C6A | C5A | 116.3° | 118.5° |
| N1A | C6A | N6A | 124.8° | 120.7° |
| C2B | C1B | O4B | 108.9° | 103.5° |
| C2B | C1B | N9A | 104.1° | 110.7° |
| C1B | C2B | O2B | 107.4° | 110.9° |
| C1B | C2B | C3B | 95.9° | 102.1° |
| C2B | C1B | H1B | 110.4° | 110.6° |
| C1B | C2B | H2B | 111.7° | 110.9° |
| O4B | C1B | N9A | 108.4° | 110.6° |
| C1B | O4B | C4B | 107.1° | 107.0° |
| O4B | C1B | H1B | 112.8° | 110.6° |
| C1B | N9A | C4A | 119.8° | 126.3° |
| C1B | N9A | C8A | 130.0° | 126.3° |
| N9A | C1B | H1B | 111.8° | 110.6° |
| N1N | C1D | C2D | 106.3° | 110.6° |
| N1N | C1D | O4D | 110.0° | 110.6° |
| C1D | N1N | C2N | 118.3° | 119.0° |
| C1D | N1N | C6N | 121.4° | 119.0° |
| N1N | C1D | H1D | 111.8° | 110.6° |
| C2D | C1D | O4D | 105.7° | 103.4° |
| C1D | C2D | O2D | 104.5° | 110.9° |
| C1D | C2D | C3D | 98.6° | 102.1° |
| C2D | C1D | H1D | 110.6° | 110.6° |
| C1D | C2D | H2D | 111.7° | 110.9° |
| C1D | O4D | C4D | 110.2° | 107.0° |
| O4D | C1D | H1D | 112.1° | 110.7° |
| C2N | N1N | C6N | 120.3° | 122.0° |
| N1N | C2N | C3N | 123.1° | 120.5° |
| N1N | C2N | H2N | 118.5° | 119.7° |
| N1N | C6N | C5N | 121.3° | 121.1° |
| N1N | C6N | H6N | 119.4° | 119.4° |
| O1X | P2B | O2B | 103.9° | 109.5° |
| O1X | P2B | O2X | 119.1° | 109.5° |
| O1X | P2B | O3X | 115.7° | 109.5° |
| C2A | N3A | C4A | 118.4° | 120.7° |
| N3A | C2A | H2A | 119.3° | 118.8° |
| O2B | C2B | C3B | 115.0° | 110.9° |
| C2B | O2B | P2B | 116.1° | 123.0° |
| O2B | C2B | H2B | 113.7° | 110.8° |
| C2B | C3B | O3B | 109.7° | 110.5° |
| C2B | C3B | C4B | 101.6° | 104.2° |
| C3B | C2B | H2B | 111.7° | 110.9° |
| C2B | C3B | H3B | 112.9° | 110.5° |
| O2B | P2B | O2X | 109.9° | 109.5° |
| O2B | P2B | O3X | 98.3° | 109.5° |
| O2X | P2B | O3X | 107.8° | 109.5° |
| O2D | C2D | C3D | 114.3° | 110.9° |
| O2D | C2D | H2D | 114.1° | 110.9° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| C2D | C3D | O3D | 107.7° | 110.5° |
| C2D | C3D | C4D | 102.4° | 104.2° |
| C3D | C2D | H2D | 112.3° | 110.9° |
| C2D | C3D | H3D | 112.0° | 110.5° |
| C2N | C3N | C4N | 117.3° | 118.8° |
| C2N | C3N | C7N | 119.9° | 120.6° |
| C3N | C2N | H2N | 118.5° | 119.7° |
| N3A | C4A | C5A | 123.4° | 119.0° |
| N3A | C4A | N9A | 131.5° | 135.0° |
| O3B | C3B | C4B | 103.1° | 110.5° |
| O3B | C3B | H3B | 115.4° | 110.4° |
| C3B | O3B | HO3B | 109.5° | 114.0° |
| C3B | C4B | O4B | 107.2° | 107.3° |
| C3B | C4B | C5B | 114.4° | 109.9° |
| C4B | C3B | H3B | 112.8° | 110.6° |
| C3B | C4B | H4B | 108.6° | 109.9° |
| O3D | C3D | C4D | 107.8° | 110.5° |
| O3D | C3D | H3D | 114.3° | 110.4° |
| C3D | O3D | HO3D | 109.5° | 114.1° |
| C3D | C4D | O4D | 103.5° | 107.3° |
| C3D | C4D | C5D | 116.0° | 109.9° |
| C4D | C3D | H3D | 111.9° | 110.6° |
| C3D | C4D | H4D | 108.7° | 109.9° |
| C4N | C3N | C7N | 122.7° | 120.6° |
| C3N | C4N | C5N | 118.3° | 118.2° |
| C3N | C4N | H4N | 120.9° | 120.9° |
| C3N | C7N | O7N | 115.6° | 120.0° |
| C3N | C7N | CAA | 127.3° | 120.0° |
| C5A | C4A | N9A | 104.7° | 106.0° |
| C4A | C5A | C6A | 116.6° | 118.2° |
| C4A | C5A | N7A | 109.1° | 107.1° |
| C4A | N9A | C8A | 110.2° | 107.5° |
| O4B | C4B | C5B | 106.8° | 109.9° |
| O4B | C4B | H4B | 110.3° | 109.8° |
| C4B | C5B | O5B | 99.0° | 109.5° |
| C5B | C4B | H4B | 109.5° | 110.0° |
| C4B | C5B | H5B | 112.0° | 109.5° |
| C4B | C5B | H5BA | 112.0° | 109.5° |
| O4D | C4D | C5D | 109.3° | 109.9° |
| O4D | C4D | H4D | 110.2° | 109.9° |
| C4D | C5D | O5D | 103.4° | 109.5° |
| C5D | C4D | H4D | 108.9° | 110.0° |
| C4D | C5D | H5D | 111.0° | 109.5° |
| C4D | C5D | H5DA | 111.0° | 109.5° |
| C4N | C5N | C6N | 119.7° | 119.3° |
| C5N | C4N | H4N | 120.9° | 120.9° |
| C4N | C5N | H5N | 120.1° | 120.3° |
| C6A | C5A | N7A | 134.2° | 134.7° |
| C5A | C6A | N6A | 118.8° | 120.8° |
| C5A | N7A | C8A | 107.7° | 109.5° |
| O5B | C5B | H5B | 112.1° | 109.5° |
| O5B | C5B | H5BA | 112.0° | 109.5° |
| O5D | C5D | H5D | 111.0° | 109.4° |
| O5D | C5D | H5DA | 111.0° | 109.5° |
| C6N | C5N | H5N | 120.1° | 120.4° |
| C5N | C6N | H6N | 119.3° | 119.4° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| N7A | C8A | N9A | 108.1° | 109.9° |
| N7A | C8A | H8A | 126.0° | 125.1° |
| O7N | C7N | CAA | 117.0° | 120.0° |
| C7N | CAA | HAA | 109.5° | 109.5° |
| C7N | CAA | HAAA | 109.5° | 109.5° |
| C7N | CAA | HAAB | 109.5° | 109.5° |
| N9A | C8A | H8A | 125.9° | 125.0° |
| H5B | C5B | H5BA | 109.5° | 109.4° |
| H5D | C5D | H5DA | 109.4° | 109.5° |
| HN6A | N6A | HN6B | 109.4° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | PA | O1A | O2A | 115.1° | 120.0° |
| O3 | PA | O1A | O5B | 115.1° | 120.0° |
| O3 | PA | O2A | O5B | 122.5° | 120.1° |
| PA | O3 | PN | O1N | 43.4° | 75.0° |
| PA | O3 | PN | O2N | 166.2° | 45.0° |
| PA | O3 | PN | O5D | 80.3° | 165.0° |
| O3 | PA | O5B | C5B | 71.4° | 175.0° |
| PN | O3 | PA | O1A | 158.7° | 75.0° |
| PN | O3 | PA | O2A | 41.4° | 44.9° |
| PN | O3 | PA | O5B | 81.7° | 165.0° |
| O3 | PN | O1N | O2N | 115.0° | 120.0° |
| O3 | PN | O1N | O5D | 120.7° | 120.0° |
| O3 | PN | O2N | O5D | 111.0° | 120.0° |
| O3 | PN | O5D | C5D | 33.9° | 175.0° |
| O1A | PA | O2A | O5B | 132.0° | 120.0° |
| O1A | PA | O5B | C5B | 34.9° | 65.0° |
| O2A | PA | O5B | C5B | 165.8° | 55.0° |
| PA | O5B | C5B | C4B | 179.7° | 180.0° |
| PA | O5B | C5B | H5B | 61.4° | 60.0° |
| PA | O5B | C5B | H5BA | 62.1° | 60.0° |
| O1N | PN | O2N | O5D | 125.6° | 120.0° |
| O1N | PN | O5D | C5D | 159.7° | 65.0° |
| O2N | PN | O5D | C5D | 73.3° | 55.1° |
| PN | O5D | C5D | C4D | 176.8° | 180.0° |
| PN | O5D | C5D | H5D | 57.7° | 60.0° |
| PN | O5D | C5D | H5DA | 64.2° | 59.9° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 4.7° | 0.0° |
| C2A | N1A | C6A | C5A | 5.5° | 0.0° |
| C2A | N1A | C6A | N6A | 178.9° | 180.0° |
| C6A | N1A | C2A | N3A | 5.0° | 0.0° |
| N1A | C6A | C5A | C4A | 5.8° | 0.0° |
| N1A | C6A | C5A | N6A | 175.9° | 179.9° |
| N1A | C6A | C5A | N7A | 178.1° | 180.0° |
| C6A | N1A | C2A | H2A | 175.0° | 179.9° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.1° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| C2B | C1B | O4B | N9A | 112.7° | 118.6° |
| C2B | C1B | O4B | H1B | 122.9° | 118.5° |
| C2B | C1B | N9A | H1B | 119.2° | 122.9° |
| C1B | C2B | O2B | C3B | 105.4° | 112.8° |
| C1B | C2B | O2B | H2B | 124.1° | 123.6° |
| C1B | C2B | C3B | H2B | 116.1° | 118.2° |
| C1B | C2B | O2B | P2B | 163.9° | 119.9° |
| C1B | C2B | C3B | O3B | 69.1° | 97.8° |
| C1B | C2B | C3B | C4B | 39.6° | 20.9° |
| C2B | C1B | N9A | C4A | 115.3° | 84.9° |
| C2B | C1B | O4B | C4B | 25.7° | 40.0° |
| C2B | C1B | N9A | C8A | 64.6° | 95.0° |
| C1B | C2B | C3B | H3B | 160.6° | 139.7° |
| O4B | C1B | N9A | H1B | 125.0° | 122.9° |
| O4B | C1B | C2B | O2B | 160.4° | 155.2° |
| O4B | C1B | C2B | C3B | 41.8° | 37.0° |
| C1B | O4B | C4B | C3B | 2.4° | 26.5° |
| O4B | C1B | N9A | C4A | 128.9° | 160.9° |
| C1B | O4B | C4B | C5B | 120.7° | 146.0° |
| O4B | C1B | N9A | C8A | 51.2° | 19.1° |
| O4B | C1B | C2B | H2B | 74.3° | 81.2° |
| C1B | O4B | C4B | H4B | 120.5° | 92.9° |
| N9A | C1B | C2B | O2B | 84.2° | 86.2° |
| N9A | C1B | C2B | C3B | 157.3° | 155.5° |
| C1B | N9A | C4A | N3A | 3.4° | 0.1° |
| C1B | N9A | C4A | C5A | 175.5° | 180.0° |
| C1B | N9A | C4A | C8A | 179.9° | 180.0° |
| N9A | C1B | O4B | C4B | 138.4° | 158.6° |
| C1B | N9A | C8A | N7A | 176.5° | 180.0° |
| N9A | C1B | C2B | H2B | 41.1° | 37.3° |
| C1B | N9A | C8A | H8A | 3.5° | 0.1° |
| N1N | C1D | C2D | O4D | 116.9° | 118.5° |
| N1N | C1D | C2D | H1D | 121.5° | 122.9° |
| N1N | C1D | O4D | H1D | 125.1° | 123.0° |
| C1D | N1N | C2N | C6N | 179.6° | 179.7° |
| N1N | C1D | C2D | O2D | 157.3° | 86.3° |
| N1N | C1D | C2D | C3D | 84.8° | 155.5° |
| C1D | N1N | C2N | C3N | 178.6° | 180.0° |
| N1N | C1D | O4D | C4D | 105.8° | 158.6° |
| C1D | N1N | C6N | C5N | 179.9° | 179.7° |
| N1N | C1D | C2D | H2D | 33.4° | 37.3° |
| C1D | N1N | C2N | H2N | 1.4° | 0.0° |
| C1D | N1N | C6N | H6N | 0.1° | 0.0° |
| C2D | C1D | O4D | H1D | 120.5° | 118.5° |
| C2D | C1D | N1N | C2N | 60.4° | 100.0° |
| C2D | C1D | N1N | C6N | 120.0° | 80.3° |
| C1D | C2D | O2D | C3D | 106.6° | 112.7° |
| C1D | C2D | O2D | H2D | 122.3° | 123.6° |
| C1D | C2D | C3D | H2D | 117.8° | 118.2° |
| C1D | C2D | C3D | O3D | 156.2° | 97.8° |
| C1D | C2D | C3D | C4D | 42.7° | 20.9° |
| C2D | C1D | O4D | C4D | 8.6° | 40.1° |
| C1D | C2D | O2D | HO2D | 180.0° | 180.0° |
| C1D | C2D | C3D | H3D | 77.3° | 139.7° |
| O4D | C1D | N1N | C2N | 174.4° | 146.0° |
| O4D | C1D | N1N | C6N | 6.0° | 33.8° |
| O4D | C1D | C2D | O2D | 85.8° | 155.2° |
| O4D | C1D | C2D | C3D | 32.1° | 37.0° |
| C1D | O4D | C4D | C3D | 18.9° | 26.5° |
| C1D | O4D | C4D | C5D | 143.1° | 146.0° |
| O4D | C1D | C2D | H2D | 150.3° | 81.2° |
| C1D | O4D | C4D | H4D | 97.2° | 92.9° |
| N1N | C2N | C3N | H2N | 180.0° | 180.0° |
| N1N | C2N | C3N | C4N | 2.4° | 0.1° |
| N1N | C2N | C3N | C7N | 179.6° | 180.0° |
| C2N | N1N | C6N | C5N | 0.3° | 0.5° |
| C2N | N1N | C1D | H1D | 60.3° | 22.9° |
| C2N | N1N | C6N | H6N | 179.7° | 179.7° |
| C6N | N1N | C2N | C3N | 1.1° | 0.2° |
| N1N | C6N | C5N | C4N | 0.3° | 0.5° |
| N1N | C6N | C5N | H6N | 180.0° | 179.8° |
| C6N | N1N | C1D | H1D | 119.3° | 156.9° |
| C6N | N1N | C2N | H2N | 178.9° | 179.8° |
| N1N | C6N | C5N | H5N | 179.7° | 179.7° |
| O1X | P2B | O2B | C2B | 175.4° | 60.0° |
| O1X | P2B | O2B | O2X | 128.5° | 120.0° |
| O1X | P2B | O2B | O3X | 119.2° | 120.0° |
| O1X | P2B | O2X | O3X | 134.4° | 120.0° |
| C2A | N3A | C4A | C5A | 5.5° | 0.0° |
| C2A | N3A | C4A | N9A | 176.5° | 179.9° |
| O2B | C2B | C3B | H2B | 131.5° | 123.6° |
| C2B | O2B | P2B | O2X | 56.2° | 60.0° |
| C2B | O2B | P2B | O3X | 56.2° | 180.0° |
| O2B | C2B | C3B | O3B | 43.2° | 20.4° |
| O2B | C2B | C3B | C4B | 151.9° | 139.1° |
| O2B | C2B | C1B | H1B | 36.0° | 36.7° |
| O2B | C2B | C3B | H3B | 87.1° | 102.1° |
| C3B | C2B | O2B | P2B | 90.8° | 127.3° |
| C2B | C3B | O3B | C4B | 107.6° | 114.7° |
| C2B | C3B | O3B | H3B | 128.9° | 122.5° |
| C2B | C3B | C4B | H3B | 121.1° | 118.7° |
| C2B | C3B | C4B | O4B | 28.7° | 2.0° |
| C2B | C3B | C4B | C5B | 89.5° | 121.5° |
| C3B | C2B | C1B | H1B | 82.5° | 81.5° |
| C2B | C3B | O3B | HO3B | 180.0° | 180.0° |
| C2B | C3B | C4B | H4B | 147.9° | 117.4° |
| O2B | P2B | O2X | O3X | 106.1° | 120.0° |
| P2B | O2B | C2B | H2B | 39.8° | 3.6° |
| O2D | C2D | C3D | H2D | 132.0° | 123.7° |
| O2D | C2D | C3D | O3D | 46.0° | 20.3° |
| O2D | C2D | C3D | C4D | 67.5° | 139.1° |
| O2D | C2D | C1D | H1D | 35.8° | 36.6° |
| O2D | C2D | C3D | H3D | 172.5° | 102.2° |
| C2D | C3D | O3D | C4D | 109.8° | 114.8° |
| C2D | C3D | O3D | H3D | 125.2° | 122.6° |
| C2D | C3D | C4D | H3D | 120.1° | 118.7° |
| C2D | C3D | C4D | O4D | 39.6° | 2.0° |
| C2D | C3D | C4D | C5D | 159.3° | 121.4° |
| C3D | C2D | C1D | H1D | 153.7° | 81.6° |
| C3D | C2D | O2D | HO2D | 73.4° | 67.3° |
| C2D | C3D | O3D | HO3D | 180.0° | 61.4° |
| C2D | C3D | C4D | H4D | 77.6° | 117.4° |
| C2N | C3N | C4N | C7N | 177.9° | 179.9° |
| C2N | C3N | C4N | C5N | 2.3° | 0.1° |
| C2N | C3N | C7N | O7N | 45.5° | 0.0° |
| C2N | C3N | C7N | CAA | 136.4° | 180.0° |
| C2N | C3N | C4N | H4N | 177.7° | 180.0° |
| N3A | C4A | C5A | N9A | 173.0° | 180.0° |
| N3A | C4A | C5A | C6A | 6.1° | 0.0° |
| N3A | C4A | C5A | N7A | 176.8° | 180.0° |
| N3A | C4A | N9A | C8A | 176.5° | 180.0° |
| C4A | N3A | C2A | H2A | 175.3° | 179.9° |
| O3B | C3B | C4B | H3B | 125.2° | 122.6° |
| O3B | C3B | C4B | O4B | 85.0° | 120.7° |
| O3B | C3B | C4B | C5B | 156.8° | 119.9° |
| O3B | C3B | C2B | H2B | 174.8° | 144.0° |
| O3B | C3B | C4B | H4B | 34.2° | 1.3° |
| C3B | C4B | O4B | C5B | 123.0° | 119.5° |
| C3B | C4B | O4B | H4B | 118.1° | 119.4° |
| C3B | C4B | C5B | H4B | 122.2° | 121.1° |
| C3B | C4B | C5B | O5B | 66.5° | 175.0° |
| C4B | C3B | C2B | H2B | 76.6° | 97.3° |
| C4B | C3B | O3B | HO3B | 72.4° | 65.2° |
| C3B | C4B | C5B | H5B | 51.8° | 54.9° |
| C3B | C4B | C5B | H5BA | 175.2° | 65.0° |
| O3D | C3D | C4D | H3D | 126.4° | 122.5° |
| O3D | C3D | C4D | O4D | 153.1° | 120.7° |
| O3D | C3D | C4D | C5D | 87.2° | 119.8° |
| O3D | C3D | C2D | H2D | 86.0° | 144.0° |
| O3D | C3D | C4D | H4D | 35.8° | 1.3° |
| C3D | C4D | O4D | C5D | 124.2° | 119.4° |
| C3D | C4D | O4D | H4D | 116.1° | 119.4° |
| C3D | C4D | C5D | H4D | 123.0° | 121.1° |
| C3D | C4D | C5D | O5D | 34.5° | 175.0° |
| C4D | C3D | C2D | H2D | 160.5° | 97.3° |
| C4D | C3D | O3D | HO3D | 70.2° | 176.2° |
| C3D | C4D | C5D | H5D | 153.5° | 55.0° |
| C3D | C4D | C5D | H5DA | 84.5° | 65.0° |
| C3N | C4N | C5N | H4N | 180.0° | 180.0° |
| C3N | C4N | C5N | C6N | 1.0° | 0.2° |
| C4N | C3N | C7N | O7N | 136.6° | 179.9° |
| C4N | C3N | C7N | CAA | 41.5° | 0.0° |
| C4N | C3N | C2N | H2N | 177.7° | 180.0° |
| C3N | C4N | C5N | H5N | 179.0° | 180.0° |
| C7N | C3N | C4N | C5N | 179.8° | 180.0° |
| C3N | C7N | O7N | CAA | 178.3° | 180.0° |
| C7N | C3N | C2N | H2N | 0.3° | 0.0° |
| C7N | C3N | C4N | H4N | 0.2° | 0.0° |
| C3N | C7N | CAA | HAA | 178.0° | 0.0° |
| C3N | C7N | CAA | HAAA | 58.0° | 120.0° |
| C3N | C7N | CAA | HAAB | 62.0° | 120.0° |
| C4A | C5A | C6A | N7A | 176.1° | 179.9° |
| C4A | C5A | C6A | N6A | 178.4° | 180.0° |
| C4A | C5A | N7A | C8A | 1.9° | 0.0° |
| C5A | C4A | N9A | C8A | 4.4° | 0.0° |
| N9A | C4A | C5A | C6A | 179.1° | 179.9° |
| N9A | C4A | C5A | N7A | 3.8° | 0.0° |
| C4A | N9A | C8A | N7A | 3.4° | 0.0° |
| C4A | N9A | C1B | H1B | 3.9° | 38.0° |
| C4A | N9A | C8A | H8A | 176.6° | 179.9° |
| O4B | C4B | C5B | H4B | 119.4° | 121.0° |
| O4B | C4B | C5B | O5B | 175.1° | 67.1° |
| C4B | O4B | C1B | H1B | 97.2° | 78.5° |
| O4B | C4B | C3B | H3B | 149.8° | 116.7° |
| O4B | C4B | C5B | H5B | 66.6° | 172.8° |
| O4B | C4B | C5B | H5BA | 56.9° | 52.9° |
| C4B | C5B | O5B | H5B | 118.2° | 120.0° |
| C4B | C5B | O5B | H5BA | 118.3° | 120.0° |
| C5B | C4B | C3B | H3B | 31.7° | 2.8° |
| C4B | C5B | H5B | H5BA | 124.9° | 119.9° |
| O4D | C4D | C5D | H4D | 120.5° | 121.1° |
| O4D | C4D | C5D | O5D | 82.0° | 67.2° |
| C4D | O4D | C1D | H1D | 129.1° | 78.4° |
| O4D | C4D | C3D | H3D | 80.5° | 116.7° |
| O4D | C4D | C5D | H5D | 37.0° | 172.8° |
| O4D | C4D | C5D | H5DA | 159.0° | 52.8° |
| C4D | C5D | O5D | H5D | 119.1° | 120.0° |
| C4D | C5D | O5D | H5DA | 119.0° | 120.0° |
| C5D | C4D | C3D | H3D | 39.2° | 2.7° |
| C4D | C5D | H5D | H5DA | 122.8° | 120.0° |
| C4N | C5N | C6N | H5N | 180.0° | 179.8° |
| C4N | C5N | C6N | H6N | 179.7° | 179.7° |
| C6A | C5A | N7A | C8A | 178.2° | 179.9° |
| C5A | C6A | N6A | HN6A | 175.5° | 180.0° |
| C5A | C6A | N6A | HN6B | 64.5° | 0.0° |
| N7A | C5A | C6A | N6A | 2.3° | 0.1° |
| C5A | N7A | C8A | N9A | 0.8° | 0.0° |
| C5A | N7A | C8A | H8A | 179.2° | 179.9° |
| O5B | C5B | C4B | H4B | 55.7° | 53.9° |
| O5B | C5B | H5B | H5BA | 124.9° | 120.0° |
| O5D | C5D | C4D | H4D | 157.5° | 53.9° |
| O5D | C5D | H5D | H5DA | 122.8° | 120.0° |
| C6N | C5N | C4N | H4N | 179.0° | 179.8° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| N7A | C8A | N9A | H8A | 180.0° | 179.9° |
| O7N | C7N | CAA | HAA | 0.0° | 180.0° |
| O7N | C7N | CAA | HAAA | 120.0° | 60.0° |
| O7N | C7N | CAA | HAAB | 120.0° | 60.0° |
| C7N | CAA | HAA | HAAA | 120.0° | 120.0° |
| C7N | CAA | HAA | HAAB | 120.0° | 120.0° |
| C7N | CAA | HAAA | HAAB | 120.0° | 120.0° |
| C8A | N9A | C1B | H1B | 176.2° | 142.0° |
| H1B | C1B | C2B | H2B | 161.3° | 160.3° |
| H1D | C1D | C2D | H2D | 88.1° | 160.2° |
| H2B | C2B | C3B | H3B | 44.5° | 21.5° |
| H2D | C2D | O2D | HO2D | 57.7° | 56.4° |
| H2D | C2D | C3D | H3D | 40.5° | 21.5° |
| H3B | C3B | O3B | HO3B | 51.1° | 57.5° |
| H3B | C3B | C4B | H4B | 91.0° | 123.9° |
| H3D | C3D | O3D | HO3D | 54.8° | 61.2° |
| H3D | C3D | C4D | H4D | 162.3° | 123.9° |
| H4B | C4B | C5B | H5B | 174.0° | 66.1° |
| H4B | C4B | C5B | H5BA | 62.6° | 173.9° |
| H4D | C4D | C5D | H5D | 83.5° | 66.1° |
| H4D | C4D | C5D | H5DA | 38.5° | 173.9° |
| H4N | C4N | C5N | H5N | 1.0° | 0.0° |
| H5N | C5N | C6N | H6N | 0.3° | 0.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
