NDE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7N | C7N | doub | 1.24Å | 1.23Å | |
| C7N | N7N | sing | 1.39Å | 1.33Å | |
| C7N | C3N | sing | 1.45Å | 1.48Å | |
| N7N | H71N | sing | 1.01Å | 1.02Å | |
| N7N | H72N | sing | 1.01Å | 1.02Å | |
| C3N | C4N | sing | 1.39Å | 1.53Å | Aromatic |
| C3N | C2N | doub | 1.39Å | 1.36Å | Aromatic |
| C4N | C5N | doub | 1.39Å | 1.50Å | Aromatic |
| C4N | C3 | sing | 1.49Å | 1.57Å | |
| C5N | C6N | sing | 1.39Å | 1.34Å | Aromatic |
| C5N | H5N | sing | 1.09Å | 1.10Å | |
| C6N | N1N | doub | 1.35Å | 1.45Å | Aromatic |
| C6N | H6N | sing | 1.08Å | 1.10Å | |
| C2N | N1N | sing | 1.35Å | 1.45Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.10Å | |
| N1N | C1D | sing | 1.48Å | 1.47Å | |
| C1D | C2D | sing | 1.52Å | 1.52Å | |
| C1D | O4D | sing | 1.44Å | 1.41Å | |
| C1D | H1D | sing | 1.09Å | 1.11Å | |
| C2D | O2D | sing | 1.41Å | 1.41Å | |
| C2D | C3D | sing | 1.52Å | 1.54Å | |
| C2D | H2D | sing | 1.10Å | 1.12Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C3D | O3D | sing | 1.43Å | 1.41Å | |
| C3D | C4D | sing | 1.53Å | 1.53Å | |
| C3D | H3D | sing | 1.09Å | 1.12Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| O4D | C4D | sing | 1.45Å | 1.44Å | |
| C4D | C5D | sing | 1.52Å | 1.51Å | |
| C4D | H4D | sing | 1.10Å | 1.11Å | |
| C5D | O5D | sing | 1.42Å | 1.41Å | |
| C5D | H51N | sing | 1.09Å | 1.11Å | |
| C5D | H52N | sing | 1.09Å | 1.11Å | |
| O5D | PN | sing | 1.64Å | 1.60Å | |
| PN | O1N | doub | 1.51Å | 1.50Å | |
| PN | O2N | sing | 1.51Å | 1.52Å | |
| PN | O3 | sing | 1.63Å | 1.87Å | |
| PA | O1A | doub | 1.50Å | 1.47Å | |
| PA | O3 | sing | 1.62Å | 1.51Å | |
| PA | O2A | sing | 1.62Å | 1.49Å | |
| PA | O5B | sing | 1.62Å | 1.58Å | |
| O2A | HOA2 | sing | 0.98Å | 0.95Å | |
| O5B | C5B | sing | 1.42Å | 1.40Å | |
| C5B | C4B | sing | 1.52Å | 1.50Å | |
| C5B | H51A | sing | 1.09Å | 1.11Å | |
| C5B | H52A | sing | 1.09Å | 1.12Å | |
| C4B | O4B | sing | 1.45Å | 1.45Å | |
| C4B | C3B | sing | 1.53Å | 1.52Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.41Å | |
| C1B | C2B | sing | 1.52Å | 1.51Å | |
| C1B | N9A | sing | 1.46Å | 1.45Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| C2B | O2B | sing | 1.41Å | 1.40Å | |
| C2B | C3B | sing | 1.52Å | 1.53Å | |
| C2B | H2B | sing | 1.10Å | 1.12Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.40Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| N9A | C8A | sing | 1.37Å | 1.37Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.37Å | Aromatic |
| C8A | N7A | doub | 1.32Å | 1.32Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.37Å | 1.39Å | Aromatic |
| C5A | C6A | doub | 1.39Å | 1.41Å | Aromatic |
| C5A | C4A | sing | 1.39Å | 1.38Å | Aromatic |
| C6A | N6A | sing | 1.41Å | 1.34Å | |
| C6A | N1A | sing | 1.35Å | 1.35Å | Aromatic |
| N6A | H61A | sing | 1.00Å | 1.02Å | |
| N6A | H62A | sing | 1.00Å | 1.02Å | |
| C4A | N3A | doub | 1.34Å | 1.34Å | Aromatic |
| N3A | C2A | sing | 1.35Å | 1.34Å | Aromatic |
| C2A | N1A | doub | 1.35Å | 1.35Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| P | O1P | doub | 1.50Å | 1.51Å | |
| P | O2P | sing | 1.62Å | 1.49Å | |
| P | O3P | sing | 1.62Å | 1.49Å | |
| P | O1 | sing | 1.62Å | 1.61Å | |
| O2P | HOP2 | sing | 0.98Å | 0.95Å | |
| O3P | HOP3 | sing | 0.98Å | 0.95Å | |
| O1 | C1 | sing | 1.41Å | 1.44Å | |
| C1 | C2 | sing | 1.52Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | doub | 1.23Å | 1.24Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C3 | O31 | sing | 1.42Å | 38.81Å | |
| C3 | H31 | sing | 1.10Å | 1.12Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7N | C7N | N7N | 117.8° | 120.9° |
| O7N | C7N | C3N | 120.6° | 121.4° |
| N7N | C7N | C3N | 121.6° | 117.7° |
| C7N | N7N | H71N | 121.6° | 119.3° |
| C7N | N7N | H72N | 117.8° | 121.4° |
| C7N | C3N | C4N | 120.2° | 121.8° |
| C7N | C3N | C2N | 116.4° | 119.5° |
| H71N | N7N | H72N | 120.5° | 119.3° |
| C4N | C3N | C2N | 123.4° | 118.7° |
| C3N | C4N | C5N | 112.9° | 119.9° |
| C3N | C4N | C3 | 118.5° | 121.1° |
| C3N | C2N | N1N | 116.9° | 120.5° |
| C3N | C2N | H2N | 118.5° | 123.3° |
| C5N | C4N | C3 | 116.2° | 119.0° |
| C4N | C5N | C6N | 120.3° | 118.8° |
| C4N | C5N | H5N | 125.3° | 121.2° |
| C4N | C3 | C2 | 105.4° | 112.8° |
| C4N | C3 | O31 | 115.6° | 109.2° |
| C4N | C3 | H31 | 104.4° | 111.7° |
| C6N | C5N | H5N | 114.4° | 120.0° |
| C5N | C6N | N1N | 119.7° | 120.5° |
| C5N | C6N | H6N | 116.1° | 122.8° |
| N1N | C6N | H6N | 124.2° | 116.6° |
| C6N | N1N | C2N | 121.7° | 121.5° |
| C6N | N1N | C1D | 117.7° | 119.3° |
| N1N | C2N | H2N | 124.6° | 116.2° |
| C2N | N1N | C1D | 120.5° | 119.2° |
| N1N | C1D | C2D | 117.3° | 110.5° |
| N1N | C1D | O4D | 107.8° | 112.3° |
| N1N | C1D | H1D | 103.9° | 104.9° |
| C2D | C1D | O4D | 104.7° | 106.4° |
| C2D | C1D | H1D | 107.0° | 113.3° |
| C1D | C2D | O2D | 108.5° | 112.0° |
| C1D | C2D | C3D | 101.8° | 101.5° |
| C1D | C2D | H2D | 116.8° | 110.8° |
| O4D | C1D | H1D | 116.7° | 109.5° |
| C1D | O4D | C4D | 108.7° | 108.8° |
| O2D | C2D | C3D | 114.6° | 113.0° |
| O2D | C2D | H2D | 104.6° | 108.9° |
| C2D | O2D | HO2N | 108.5° | 107.3° |
| C3D | C2D | H2D | 110.9° | 110.5° |
| C2D | C3D | O3D | 109.4° | 109.5° |
| C2D | C3D | C4D | 104.7° | 102.3° |
| C2D | C3D | H3D | 111.8° | 113.9° |
| O3D | C3D | C4D | 107.0° | 108.8° |
| O3D | C3D | H3D | 109.7° | 107.7° |
| C3D | O3D | HO3N | 109.4° | 106.4° |
| C4D | C3D | H3D | 114.0° | 114.4° |
| C3D | C4D | O4D | 105.9° | 106.3° |
| C3D | C4D | C5D | 114.9° | 113.0° |
| C3D | C4D | H4D | 106.7° | 112.0° |
| O4D | C4D | C5D | 103.9° | 108.4° |
| O4D | C4D | H4D | 117.2° | 107.6° |
| C5D | C4D | H4D | 108.6° | 109.3° |
| C4D | C5D | O5D | 105.3° | 109.0° |
| C4D | C5D | H51N | 113.8° | 110.5° |
| C4D | C5D | H52N | 113.8° | 110.5° |
| O5D | C5D | H51N | 113.8° | 108.8° |
| O5D | C5D | H52N | 113.8° | 108.8° |
| C5D | O5D | PN | 122.5° | 119.2° |
| H51N | C5D | H52N | 96.7° | 109.1° |
| O5D | PN | O1N | 106.0° | 108.2° |
| O5D | PN | O2N | 110.5° | 109.4° |
| O5D | PN | O3 | 110.6° | 99.6° |
| O1N | PN | O2N | 120.8° | 120.6° |
| O1N | PN | O3 | 101.7° | 108.5° |
| O2N | PN | O3 | 106.8° | 108.5° |
| PN | O3 | PA | 146.4° | 131.2° |
| O1A | PA | O3 | 90.5° | 114.4° |
| O1A | PA | O2A | 120.0° | 114.3° |
| O1A | PA | O5B | 118.4° | 114.8° |
| O3 | PA | O2A | 86.8° | 103.1° |
| O3 | PA | O5B | 96.1° | 104.6° |
| O2A | PA | O5B | 121.5° | 104.4° |
| PA | O2A | HOA2 | 120.0° | 118.9° |
| PA | O5B | C5B | 124.6° | 120.0° |
| O5B | C5B | C4B | 104.3° | 108.7° |
| O5B | C5B | H51A | 114.2° | 109.2° |
| O5B | C5B | H52A | 114.2° | 109.2° |
| C4B | C5B | H51A | 114.2° | 110.1° |
| C4B | C5B | H52A | 114.2° | 110.1° |
| C5B | C4B | O4B | 105.0° | 108.4° |
| C5B | C4B | C3B | 113.2° | 113.0° |
| C5B | C4B | H4B | 109.1° | 109.3° |
| H51A | C5B | H52A | 96.3° | 109.6° |
| O4B | C4B | C3B | 106.5° | 106.4° |
| O4B | C4B | H4B | 115.5° | 107.6° |
| C4B | O4B | C1B | 108.4° | 108.8° |
| C3B | C4B | H4B | 107.7° | 112.0° |
| C4B | C3B | C2B | 101.3° | 102.3° |
| C4B | C3B | O3B | 109.8° | 108.8° |
| C4B | C3B | H3B | 114.4° | 114.5° |
| O4B | C1B | C2B | 107.0° | 106.1° |
| O4B | C1B | N9A | 105.2° | 109.7° |
| O4B | C1B | H1B | 116.4° | 109.0° |
| C2B | C1B | N9A | 116.3° | 114.0° |
| C2B | C1B | H1B | 105.3° | 112.6° |
| C1B | C2B | O2B | 108.4° | 111.9° |
| C1B | C2B | C3B | 99.9° | 101.5° |
| C1B | C2B | H2B | 117.8° | 111.1° |
| N9A | C1B | H1B | 107.1° | 105.3° |
| C1B | N9A | C8A | 127.8° | 126.1° |
| C1B | N9A | C4A | 124.4° | 126.9° |
| O2B | C2B | C3B | 114.2° | 113.1° |
| O2B | C2B | H2B | 104.6° | 108.9° |
| C2B | O2B | HO2A | 108.3° | 107.3° |
| C3B | C2B | H2B | 112.4° | 110.3° |
| C2B | C3B | O3B | 109.3° | 109.4° |
| C2B | C3B | H3B | 114.9° | 113.9° |
| O3B | C3B | H3B | 107.1° | 107.7° |
| C3B | O3B | HO3A | 109.8° | 106.4° |
| C8A | N9A | C4A | 107.7° | 106.9° |
| N9A | C8A | N7A | 109.6° | 112.3° |
| N9A | C8A | H8A | 126.7° | 122.2° |
| N9A | C4A | C5A | 107.1° | 105.3° |
| N9A | C4A | N3A | 132.4° | 127.5° |
| N7A | C8A | H8A | 123.6° | 125.6° |
| C8A | N7A | C5A | 108.1° | 104.8° |
| N7A | C5A | C6A | 133.9° | 132.4° |
| N7A | C5A | C4A | 107.4° | 110.7° |
| C6A | C5A | C4A | 118.7° | 116.9° |
| C5A | C6A | N6A | 120.2° | 120.7° |
| C5A | C6A | N1A | 118.5° | 119.1° |
| C5A | C4A | N3A | 120.5° | 127.2° |
| N6A | C6A | N1A | 121.3° | 120.2° |
| C6A | N6A | H61A | 120.2° | 119.4° |
| C6A | N6A | H62A | 108.3° | 119.4° |
| C6A | N1A | C2A | 121.0° | 117.5° |
| H61A | N6A | H62A | 108.4° | 120.8° |
| C4A | N3A | C2A | 120.3° | 110.4° |
| N3A | C2A | N1A | 121.1° | 128.9° |
| N3A | C2A | H2A | 119.1° | 115.6° |
| N1A | C2A | H2A | 119.8° | 115.5° |
| O1P | P | O2P | 116.7° | 115.3° |
| O1P | P | O3P | 114.7° | 115.0° |
| O1P | P | O1 | 101.0° | 114.9° |
| O2P | P | O3P | 118.1° | 103.3° |
| O2P | P | O1 | 98.9° | 103.7° |
| P | O2P | HOP2 | 116.7° | 118.9° |
| O3P | P | O1 | 102.9° | 103.1° |
| P | O3P | HOP3 | 114.7° | 119.0° |
| P | O1 | C1 | 117.4° | 118.6° |
| O1 | C1 | C2 | 114.0° | 110.5° |
| O1 | C1 | H11 | 110.6° | 108.3° |
| O1 | C1 | H12 | 110.6° | 108.8° |
| C2 | C1 | H11 | 110.6° | 109.0° |
| C2 | C1 | H12 | 110.6° | 110.3° |
| C1 | C2 | O2 | 126.6° | 121.7° |
| C1 | C2 | C3 | 116.4° | 116.4° |
| H11 | C1 | H12 | 99.7° | 109.8° |
| O2 | C2 | C3 | 117.0° | 121.9° |
| C2 | C3 | O31 | 93.8° | 109.2° |
| C2 | C3 | H31 | 123.4° | 107.3° |
| O31 | C3 | H31 | 114.4° | 106.5° |
| C3 | O31 | H311 | 115.6° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7N | C7N | N7N | C3N | 179.9° | 179.0° |
| O7N | C7N | N7N | H71N | 0.1° | 179.0° |
| O7N | C7N | N7N | H72N | 180.0° | 1.0° |
| O7N | C7N | C3N | C4N | 1.8° | 91.0° |
| O7N | C7N | C3N | C2N | 178.3° | 89.0° |
| C7N | N7N | H71N | H72N | 179.9° | 180.0° |
| N7N | C7N | C3N | C4N | 178.3° | 90.0° |
| N7N | C7N | C3N | C2N | 1.5° | 90.0° |
| C3N | C7N | N7N | H71N | 180.0° | 0.0° |
| C3N | C7N | N7N | H72N | 0.1° | 180.0° |
| C7N | C3N | C4N | C2N | 179.8° | 180.0° |
| C7N | C3N | C4N | C5N | 166.9° | 180.0° |
| C7N | C3N | C4N | C3 | 52.3° | 0.0° |
| C7N | C3N | C2N | N1N | 177.0° | 180.0° |
| C7N | C3N | C2N | H2N | 3.0° | 0.0° |
| C3N | C4N | C5N | C3 | 141.7° | 180.0° |
| C3N | C4N | C5N | C6N | 26.2° | 0.0° |
| C3N | C4N | C5N | H5N | 153.8° | 180.0° |
| C4N | C3N | C2N | N1N | 3.1° | 0.0° |
| C4N | C3N | C2N | H2N | 176.9° | 180.0° |
| C3N | C4N | C3 | C2 | 59.0° | 120.9° |
| C3N | C4N | C3 | O31 | 43.1° | 117.5° |
| C3N | C4N | C3 | H31 | 169.7° | 0.0° |
| C2N | C3N | C4N | C5N | 12.9° | 0.0° |
| C2N | C3N | C4N | C3 | 127.8° | 180.0° |
| C3N | C2N | N1N | C6N | 8.3° | 0.0° |
| C3N | C2N | N1N | H2N | 180.0° | 180.0° |
| C3N | C2N | N1N | C1D | 175.4° | 179.9° |
| C4N | C5N | C6N | H5N | 180.0° | 180.0° |
| C4N | C5N | C6N | N1N | 22.9° | 0.0° |
| C4N | C5N | C6N | H6N | 157.1° | 180.0° |
| C5N | C4N | C3 | C2 | 80.5° | 59.1° |
| C5N | C4N | C3 | O31 | 177.4° | 62.5° |
| C5N | C4N | C3 | H31 | 50.8° | 180.0° |
| C3 | C4N | C5N | C6N | 115.5° | 180.0° |
| C3 | C4N | C5N | H5N | 64.5° | 0.1° |
| C4N | C3 | C2 | C1 | 100.3° | 63.4° |
| C4N | C3 | C2 | O2 | 78.3° | 117.3° |
| C4N | C3 | C2 | O31 | 117.9° | 121.6° |
| C4N | C3 | C2 | H31 | 119.4° | 123.4° |
| C4N | C3 | O31 | H31 | 121.4° | 120.8° |
| C4N | C3 | O31 | H311 | 180.0° | 150.7° |
| C5N | C6N | N1N | H6N | 180.0° | 180.0° |
| C5N | C6N | N1N | C2N | 4.8° | 0.0° |
| C5N | C6N | N1N | C1D | 171.6° | 179.9° |
| H5N | C5N | C6N | N1N | 157.2° | 180.0° |
| H5N | C5N | C6N | H6N | 22.8° | 0.0° |
| C6N | N1N | C2N | C1D | 176.4° | 179.9° |
| C6N | N1N | C2N | H2N | 171.7° | 179.9° |
| C6N | N1N | C1D | C2D | 122.3° | 92.6° |
| C6N | N1N | C1D | O4D | 119.9° | 148.8° |
| C6N | N1N | C1D | H1D | 4.5° | 29.9° |
| H6N | C6N | N1N | C2N | 175.2° | 179.9° |
| H6N | C6N | N1N | C1D | 8.4° | 0.0° |
| C2N | N1N | C1D | C2D | 61.2° | 87.5° |
| C2N | N1N | C1D | O4D | 56.6° | 31.1° |
| C2N | N1N | C1D | H1D | 179.0° | 150.0° |
| H2N | C2N | N1N | C1D | 4.6° | 0.0° |
| N1N | C1D | C2D | O4D | 119.4° | 122.1° |
| N1N | C1D | C2D | H1D | 116.1° | 117.5° |
| N1N | C1D | O4D | H1D | 116.3° | 116.2° |
| N1N | C1D | C2D | O2D | 82.9° | 83.2° |
| N1N | C1D | C2D | C3D | 155.8° | 156.0° |
| N1N | C1D | C2D | H2D | 34.9° | 38.7° |
| N1N | C1D | O4D | C4D | 162.8° | 137.4° |
| C2D | C1D | O4D | H1D | 118.0° | 122.8° |
| C1D | C2D | O2D | C3D | 113.0° | 113.9° |
| C1D | C2D | O2D | H2D | 125.3° | 122.9° |
| C1D | C2D | C3D | H2D | 125.0° | 117.5° |
| C1D | C2D | O2D | HO2N | 180.0° | 148.5° |
| C1D | C2D | C3D | O3D | 91.6° | 77.9° |
| C1D | C2D | C3D | C4D | 22.8° | 37.4° |
| C1D | C2D | C3D | H3D | 146.8° | 161.4° |
| C2D | C1D | O4D | C4D | 37.1° | 16.4° |
| O4D | C1D | C2D | O2D | 157.7° | 154.7° |
| O4D | C1D | C2D | C3D | 36.4° | 33.9° |
| O4D | C1D | C2D | H2D | 84.5° | 83.4° |
| C1D | O4D | C4D | C3D | 21.7° | 8.0° |
| C1D | O4D | C4D | C5D | 143.1° | 113.8° |
| C1D | O4D | C4D | H4D | 97.2° | 128.1° |
| H1D | C1D | C2D | O2D | 33.2° | 34.3° |
| H1D | C1D | C2D | C3D | 88.1° | 86.5° |
| H1D | C1D | C2D | H2D | 151.0° | 156.2° |
| H1D | C1D | O4D | C4D | 80.9° | 106.4° |
| O2D | C2D | C3D | H2D | 118.1° | 122.4° |
| O2D | C2D | C3D | O3D | 25.4° | 42.2° |
| O2D | C2D | C3D | C4D | 139.8° | 157.5° |
| O2D | C2D | C3D | H3D | 96.3° | 78.5° |
| C3D | C2D | O2D | HO2N | 67.0° | 97.6° |
| C2D | C3D | O3D | C4D | 112.9° | 111.1° |
| C2D | C3D | O3D | H3D | 123.0° | 124.4° |
| C2D | C3D | C4D | H3D | 122.5° | 123.7° |
| C2D | C3D | O3D | HO3N | 180.0° | 55.6° |
| C2D | C3D | C4D | O4D | 2.2° | 28.9° |
| C2D | C3D | C4D | C5D | 111.8° | 89.9° |
| C2D | C3D | C4D | H4D | 127.8° | 146.2° |
| H2D | C2D | O2D | HO2N | 54.7° | 25.6° |
| H2D | C2D | C3D | O3D | 143.5° | 164.5° |
| H2D | C2D | C3D | C4D | 102.1° | 80.2° |
| H2D | C2D | C3D | H3D | 21.8° | 43.9° |
| O3D | C3D | C4D | H3D | 121.5° | 120.5° |
| O3D | C3D | C4D | O4D | 113.8° | 86.9° |
| O3D | C3D | C4D | C5D | 132.1° | 154.3° |
| O3D | C3D | C4D | H4D | 11.7° | 30.3° |
| C4D | C3D | O3D | HO3N | 67.2° | 166.7° |
| C3D | C4D | O4D | C5D | 121.4° | 121.8° |
| C3D | C4D | O4D | H4D | 118.8° | 120.2° |
| C3D | C4D | C5D | H4D | 119.4° | 125.4° |
| C3D | C4D | C5D | O5D | 41.6° | 179.5° |
| C3D | C4D | C5D | H51N | 166.8° | 59.9° |
| C3D | C4D | C5D | H52N | 83.7° | 60.9° |
| H3D | C3D | O3D | HO3N | 57.0° | 68.7° |
| H3D | C3D | C4D | O4D | 124.7° | 152.6° |
| H3D | C3D | C4D | C5D | 10.7° | 33.8° |
| H3D | C3D | C4D | H4D | 109.7° | 90.2° |
| O4D | C4D | C5D | H4D | 125.4° | 117.0° |
| O4D | C4D | C5D | O5D | 73.7° | 61.9° |
| O4D | C4D | C5D | H51N | 51.6° | 57.6° |
| O4D | C4D | C5D | H52N | 161.1° | 178.5° |
| C4D | C5D | O5D | H51N | 125.3° | 120.6° |
| C4D | C5D | O5D | H52N | 125.3° | 120.6° |
| C4D | C5D | H51N | H52N | 119.7° | 121.7° |
| C4D | C5D | O5D | PN | 140.0° | 180.0° |
| H4D | C4D | C5D | O5D | 160.9° | 55.0° |
| H4D | C4D | C5D | H51N | 73.8° | 174.6° |
| H4D | C4D | C5D | H52N | 35.7° | 64.5° |
| O5D | C5D | H51N | H52N | 119.7° | 118.6° |
| C5D | O5D | PN | O1N | 135.2° | 166.8° |
| C5D | O5D | PN | O2N | 2.7° | 60.0° |
| C5D | O5D | PN | O3 | 115.3° | 53.6° |
| H51N | C5D | O5D | PN | 14.7° | 59.4° |
| H52N | C5D | O5D | PN | 94.8° | 59.4° |
| O5D | PN | O1N | O2N | 126.5° | 126.9° |
| O5D | PN | O1N | O3 | 115.7° | 107.1° |
| O5D | PN | O2N | O3 | 120.3° | 107.7° |
| O5D | PN | O3 | PA | 158.2° | 180.0° |
| O1N | PN | O2N | O3 | 115.3° | 126.0° |
| O1N | PN | O3 | PA | 89.6° | 67.0° |
| O2N | PN | O3 | PA | 37.9° | 65.7° |
| PN | O3 | PA | O1A | 147.8° | 60.0° |
| PN | O3 | PA | O2A | 27.8° | 175.3° |
| PN | O3 | PA | O5B | 93.5° | 66.4° |
| O1A | PA | O3 | O2A | 120.0° | 124.7° |
| O1A | PA | O3 | O5B | 118.7° | 126.4° |
| O1A | PA | O2A | O5B | 176.1° | 126.1° |
| O1A | PA | O2A | HOA2 | 180.0° | 46.0° |
| O1A | PA | O5B | C5B | 0.7° | 180.0° |
| O3 | PA | O2A | O5B | 95.2° | 109.1° |
| O3 | PA | O2A | HOA2 | 91.4° | 170.8° |
| O3 | PA | O5B | C5B | 94.6° | 53.9° |
| O2A | PA | O5B | C5B | 175.5° | 54.2° |
| O5B | PA | O2A | HOA2 | 3.8° | 80.2° |
| PA | O5B | C5B | C4B | 160.1° | 180.0° |
| PA | O5B | C5B | H51A | 34.8° | 59.9° |
| PA | O5B | C5B | H52A | 74.6° | 59.9° |
| O5B | C5B | C4B | H51A | 125.3° | 119.6° |
| O5B | C5B | C4B | H52A | 125.3° | 119.5° |
| O5B | C5B | H51A | H52A | 120.0° | 119.6° |
| O5B | C5B | C4B | O4B | 169.3° | 61.9° |
| O5B | C5B | C4B | C3B | 75.0° | 179.5° |
| O5B | C5B | C4B | H4B | 44.9° | 55.1° |
| C4B | C5B | H51A | H52A | 120.1° | 121.2° |
| C5B | C4B | O4B | C3B | 120.3° | 121.7° |
| C5B | C4B | O4B | H4B | 120.2° | 118.1° |
| C5B | C4B | C3B | H4B | 120.7° | 124.0° |
| C5B | C4B | O4B | C1B | 113.7° | 114.3° |
| C5B | C4B | C3B | C2B | 85.5° | 90.2° |
| C5B | C4B | C3B | O3B | 159.1° | 154.1° |
| C5B | C4B | C3B | H3B | 38.7° | 33.5° |
| H51A | C5B | C4B | O4B | 44.0° | 57.7° |
| H51A | C5B | C4B | C3B | 159.7° | 59.9° |
| H51A | C5B | C4B | H4B | 80.4° | 174.6° |
| H52A | C5B | C4B | O4B | 65.5° | 178.6° |
| H52A | C5B | C4B | C3B | 50.3° | 61.0° |
| H52A | C5B | C4B | H4B | 170.1° | 64.5° |
| O4B | C4B | C3B | H4B | 124.5° | 117.3° |
| C4B | O4B | C1B | C2B | 19.7° | 16.9° |
| C4B | O4B | C1B | N9A | 143.9° | 140.6° |
| C4B | O4B | C1B | H1B | 97.7° | 104.6° |
| O4B | C4B | C3B | C2B | 29.4° | 28.6° |
| O4B | C4B | C3B | O3B | 86.1° | 87.1° |
| O4B | C4B | C3B | H3B | 153.6° | 152.3° |
| C3B | C4B | O4B | C1B | 6.6° | 7.4° |
| C4B | C3B | C2B | C1B | 39.1° | 37.4° |
| C4B | C3B | C2B | O2B | 154.5° | 157.5° |
| C4B | C3B | C2B | O3B | 115.9° | 115.3° |
| C4B | C3B | C2B | H3B | 123.8° | 124.1° |
| C4B | C3B | C2B | H2B | 86.6° | 80.4° |
| C4B | C3B | O3B | H3B | 124.7° | 124.6° |
| C4B | C3B | O3B | HO3A | 180.0° | 95.6° |
| H4B | C4B | O4B | C1B | 126.1° | 127.6° |
| H4B | C4B | C3B | C2B | 153.9° | 145.9° |
| H4B | C4B | C3B | O3B | 38.4° | 30.1° |
| H4B | C4B | C3B | H3B | 82.0° | 90.4° |
| O4B | C1B | C2B | N9A | 117.1° | 120.9° |
| O4B | C1B | C2B | H1B | 124.5° | 119.2° |
| O4B | C1B | N9A | H1B | 124.5° | 117.2° |
| O4B | C1B | C2B | O2B | 157.0° | 155.1° |
| O4B | C1B | C2B | C3B | 37.3° | 34.2° |
| O4B | C1B | C2B | H2B | 84.7° | 83.0° |
| O4B | C1B | N9A | C8A | 65.6° | 32.8° |
| O4B | C1B | N9A | C4A | 112.5° | 147.1° |
| C2B | C1B | N9A | H1B | 117.4° | 123.9° |
| C1B | C2B | O2B | C3B | 110.4° | 113.9° |
| C1B | C2B | O2B | H2B | 126.4° | 123.2° |
| C1B | C2B | C3B | H2B | 125.7° | 117.8° |
| C1B | C2B | O2B | HO2A | 180.0° | 73.9° |
| C1B | C2B | C3B | O3B | 76.7° | 77.9° |
| C1B | C2B | C3B | H3B | 162.9° | 161.5° |
| C2B | C1B | N9A | C8A | 52.5° | 86.1° |
| C2B | C1B | N9A | C4A | 129.4° | 94.0° |
| N9A | C1B | C2B | O2B | 85.9° | 84.0° |
| N9A | C1B | C2B | C3B | 154.4° | 155.1° |
| N9A | C1B | C2B | H2B | 32.5° | 37.9° |
| C1B | N9A | C8A | C4A | 178.3° | 179.9° |
| C1B | N9A | C8A | N7A | 179.5° | 179.9° |
| C1B | N9A | C8A | H8A | 0.5° | 0.1° |
| C1B | N9A | C4A | C5A | 179.2° | 180.0° |
| C1B | N9A | C4A | N3A | 0.9° | 0.1° |
| H1B | C1B | C2B | O2B | 32.5° | 35.9° |
| H1B | C1B | C2B | C3B | 87.2° | 85.0° |
| H1B | C1B | C2B | H2B | 150.9° | 157.8° |
| H1B | C1B | N9A | C8A | 169.9° | 150.0° |
| H1B | C1B | N9A | C4A | 12.0° | 29.9° |
| O2B | C2B | C3B | H2B | 118.9° | 122.1° |
| O2B | C2B | C3B | O3B | 38.7° | 42.2° |
| O2B | C2B | C3B | H3B | 81.7° | 78.5° |
| C3B | C2B | O2B | HO2A | 69.6° | 172.2° |
| C2B | C3B | O3B | H3B | 125.0° | 124.3° |
| C2B | C3B | O3B | HO3A | 69.8° | 153.3° |
| H2B | C2B | O2B | HO2A | 53.6° | 49.2° |
| H2B | C2B | C3B | O3B | 157.5° | 164.3° |
| H2B | C2B | C3B | H3B | 37.2° | 43.7° |
| H3B | C3B | O3B | HO3A | 55.3° | 29.0° |
| N9A | C8A | N7A | H8A | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 1.0° | 0.0° |
| C8A | N9A | C4A | C5A | 0.8° | 0.0° |
| C8A | N9A | C4A | N3A | 179.3° | 180.0° |
| C4A | N9A | C8A | N7A | 1.2° | 0.0° |
| C4A | N9A | C8A | H8A | 178.8° | 180.0° |
| N9A | C4A | C5A | N7A | 0.2° | 0.1° |
| N9A | C4A | C5A | C6A | 179.6° | 180.0° |
| N9A | C4A | C5A | N3A | 179.9° | 180.0° |
| N9A | C4A | N3A | C2A | 179.8° | 180.0° |
| C8A | N7A | C5A | C6A | 178.8° | 180.0° |
| C8A | N7A | C5A | C4A | 0.5° | 0.0° |
| H8A | C8A | N7A | C5A | 179.0° | 179.9° |
| N7A | C5A | C6A | C4A | 179.2° | 179.9° |
| N7A | C5A | C6A | N6A | 0.7° | 0.0° |
| N7A | C5A | C6A | N1A | 179.9° | 180.0° |
| N7A | C5A | C4A | N3A | 179.9° | 180.0° |
| C5A | C6A | N6A | N1A | 179.2° | 180.0° |
| C5A | C6A | N6A | H61A | 180.0° | 2.1° |
| C5A | C6A | N6A | H62A | 54.7° | 175.8° |
| C6A | C5A | C4A | N3A | 0.5° | 0.0° |
| C5A | C6A | N1A | C2A | 0.7° | 0.0° |
| C4A | C5A | C6A | N6A | 179.9° | 180.0° |
| C4A | C5A | C6A | N1A | 0.9° | 0.0° |
| C5A | C4A | N3A | C2A | 0.1° | 0.0° |
| C6A | N6A | H61A | H62A | 125.3° | 173.6° |
| N6A | C6A | N1A | C2A | 179.9° | 180.0° |
| N1A | C6A | N6A | H61A | 0.8° | 177.9° |
| N1A | C6A | N6A | H62A | 124.5° | 4.2° |
| C6A | N1A | C2A | N3A | 0.1° | 0.0° |
| C6A | N1A | C2A | H2A | 179.9° | 180.0° |
| C4A | N3A | C2A | N1A | 0.3° | 0.0° |
| C4A | N3A | C2A | H2A | 179.7° | 180.0° |
| N3A | C2A | N1A | H2A | 180.0° | 180.0° |
| O1P | P | O2P | O3P | 143.1° | 126.3° |
| O1P | P | O2P | O1 | 107.1° | 126.4° |
| O1P | P | O3P | O1 | 108.7° | 125.8° |
| O1P | P | O2P | HOP2 | 180.0° | 48.8° |
| O1P | P | O3P | HOP3 | 180.0° | 48.0° |
| O1P | P | O1 | C1 | 72.0° | 180.0° |
| O2P | P | O3P | O1 | 107.6° | 107.8° |
| O2P | P | O3P | HOP3 | 36.2° | 78.4° |
| O2P | P | O1 | C1 | 168.5° | 53.3° |
| O3P | P | O2P | HOP2 | 36.9° | 77.5° |
| O3P | P | O1 | C1 | 46.8° | 54.2° |
| O1 | P | O2P | HOP2 | 72.9° | 175.2° |
| O1 | P | O3P | HOP3 | 71.3° | 173.8° |
| P | O1 | C1 | C2 | 143.7° | 180.0° |
| P | O1 | C1 | H11 | 18.4° | 60.6° |
| P | O1 | C1 | H12 | 91.0° | 58.7° |
| O1 | C1 | C2 | H11 | 125.3° | 118.9° |
| O1 | C1 | C2 | H12 | 125.3° | 120.4° |
| O1 | C1 | H11 | H12 | 116.4° | 118.7° |
| O1 | C1 | C2 | O2 | 25.1° | 0.4° |
| O1 | C1 | C2 | C3 | 156.5° | 179.0° |
| C2 | C1 | H11 | H12 | 116.4° | 121.0° |
| C1 | C2 | O2 | C3 | 178.5° | 179.3° |
| C1 | C2 | C3 | O31 | 17.6° | 175.1° |
| C1 | C2 | C3 | H31 | 140.3° | 60.0° |
| H11 | C1 | C2 | O2 | 100.2° | 119.3° |
| H11 | C1 | C2 | C3 | 78.2° | 60.1° |
| H12 | C1 | C2 | O2 | 150.3° | 120.0° |
| H12 | C1 | C2 | C3 | 31.2° | 60.6° |
| O2 | C2 | C3 | O31 | 163.8° | 4.3° |
| O2 | C2 | C3 | H31 | 41.1° | 119.3° |
| C2 | C3 | O31 | H31 | 129.5° | 115.5° |
| C2 | C3 | O31 | H311 | 70.8° | 27.0° |
| H31 | C3 | O31 | H311 | 58.6° | 88.5° |
