NDO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.58Å | |
| PA | O2A | sing | 1.61Å | 1.45Å | |
| PA | O5B | sing | 1.61Å | 1.58Å | |
| PA | O3 | sing | 1.61Å | 1.48Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.61Å | |
| C5B | C4B | sing | 1.53Å | 1.50Å | |
| C5B | H51A | sing | 1.09Å | 1.12Å | |
| C5B | H52A | sing | 1.09Å | 1.12Å | |
| C4B | O4B | sing | 1.44Å | 1.48Å | |
| C4B | C3B | sing | 1.54Å | 1.43Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.45Å | |
| C3B | O3B | sing | 1.43Å | 1.44Å | |
| C3B | C2B | sing | 1.55Å | 1.49Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.56Å | |
| C2B | C1B | sing | 1.55Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2B | P2B | sing | 1.61Å | 1.60Å | |
| C1B | N9A | sing | 1.47Å | 1.46Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.39Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.38Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.30Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.38Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.40Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.35Å | Aromatic |
| C6A | O6A | sing | 1.35Å | 1.32Å | |
| C6A | N1A | doub | 1.33Å | 1.36Å | Aromatic |
| O6A | HO6A | sing | 0.97Å | 0.95Å | |
| N1A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.33Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.36Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.63Å | |
| PN | O1N | doub | 1.54Å | 1.49Å | |
| PN | O2N | sing | 1.54Å | 1.49Å | |
| PN | O5D | sing | 1.61Å | 1.80Å | |
| O5D | C5D | sing | 1.43Å | 1.27Å | |
| C5D | C4D | sing | 1.53Å | 1.56Å | |
| C5D | H51N | sing | 1.09Å | 1.12Å | |
| C5D | H52N | sing | 1.09Å | 1.12Å | |
| C4D | O4D | sing | 1.44Å | 1.28Å | |
| C4D | C3D | sing | 1.54Å | 1.57Å | |
| C4D | H4D | sing | 1.09Å | 1.12Å | |
| O4D | C1D | sing | 1.44Å | 1.28Å | |
| C3D | O3D | sing | 1.43Å | 1.39Å | |
| C3D | C2D | sing | 1.55Å | 1.59Å | |
| C3D | H3D | sing | 1.09Å | 1.11Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.58Å | |
| C2D | C1D | sing | 1.54Å | 1.57Å | |
| C2D | H2D | sing | 1.09Å | 1.11Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.46Å | 1.48Å | |
| C1D | H1D | sing | 1.09Å | 1.12Å | |
| N1N | C2N | sing | 1.32Å | 1.39Å | Aromatic |
| N1N | C6N | doub | 1.32Å | 1.39Å | Aromatic |
| C2N | C3N | doub | 1.40Å | 1.43Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.10Å | |
| C3N | C7N | sing | 1.48Å | 1.46Å | |
| C3N | C4N | sing | 1.40Å | 1.39Å | Aromatic |
| C7N | O7N | doub | 1.22Å | 1.24Å | |
| C7N | N7N | sing | 1.35Å | 1.33Å | |
| N7N | H71N | sing | 0.97Å | 1.02Å | |
| N7N | H72N | sing | 0.97Å | 1.02Å | |
| C4N | C5N | doub | 1.38Å | 1.34Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.10Å | |
| C5N | C6N | sing | 1.38Å | 1.37Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.10Å | |
| C6N | H6N | sing | 1.08Å | 1.10Å | |
| P2B | O1X | doub | 1.48Å | 1.48Å | |
| P2B | O2X | sing | 1.61Å | 1.47Å | |
| P2B | O3X | sing | 1.61Å | 1.47Å | |
| O2X | HOP2 | sing | 0.97Å | 0.95Å | |
| O3X | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 111.4° | 109.5° |
| O1A | PA | O5B | 108.3° | 109.5° |
| O1A | PA | O3 | 126.1° | 109.4° |
| O2A | PA | O5B | 101.9° | 109.5° |
| O2A | PA | O3 | 107.3° | 109.4° |
| PA | O2A | HOA2 | 111.5° | 106.8° |
| O5B | PA | O3 | 98.5° | 109.5° |
| PA | O5B | C5B | 116.8° | 106.8° |
| PA | O3 | PN | 140.3° | 106.8° |
| O5B | C5B | C4B | 102.0° | 109.4° |
| O5B | C5B | H51A | 115.1° | 109.4° |
| O5B | C5B | H52A | 115.1° | 109.4° |
| C4B | C5B | H51A | 115.1° | 109.5° |
| C4B | C5B | H52A | 115.1° | 109.5° |
| C5B | C4B | O4B | 107.7° | 109.9° |
| C5B | C4B | C3B | 110.6° | 109.8° |
| C5B | C4B | H4B | 107.5° | 109.9° |
| H51A | C5B | H52A | 95.3° | 109.5° |
| O4B | C4B | C3B | 101.0° | 107.4° |
| O4B | C4B | H4B | 116.3° | 109.9° |
| C4B | O4B | C1B | 107.9° | 107.0° |
| C3B | C4B | H4B | 113.6° | 109.9° |
| C4B | C3B | O3B | 122.6° | 110.7° |
| C4B | C3B | C2B | 109.4° | 104.1° |
| C4B | C3B | H3B | 101.0° | 110.5° |
| O4B | C1B | C2B | 107.6° | 103.5° |
| O4B | C1B | N9A | 104.9° | 110.7° |
| O4B | C1B | H1B | 118.7° | 110.7° |
| O3B | C3B | C2B | 113.5° | 110.5° |
| O3B | C3B | H3B | 95.3° | 110.4° |
| C3B | O3B | HO3A | 122.6° | 106.8° |
| C2B | C3B | H3B | 113.3° | 110.5° |
| C3B | C2B | O2B | 106.0° | 110.9° |
| C3B | C2B | C1B | 95.6° | 102.1° |
| C3B | C2B | H2B | 117.0° | 111.0° |
| O2B | C2B | C1B | 100.1° | 110.9° |
| O2B | C2B | H2B | 113.5° | 110.8° |
| C2B | O2B | P2B | 118.5° | 106.8° |
| C1B | C2B | H2B | 121.8° | 110.9° |
| C2B | C1B | N9A | 121.3° | 110.7° |
| C2B | C1B | H1B | 101.3° | 110.6° |
| O2B | P2B | O1X | 104.2° | 109.5° |
| O2B | P2B | O2X | 103.9° | 109.4° |
| O2B | P2B | O3X | 103.9° | 109.5° |
| N9A | C1B | H1B | 104.1° | 110.6° |
| C1B | N9A | C8A | 127.8° | 126.3° |
| C1B | N9A | C4A | 127.3° | 126.3° |
| C8A | N9A | C4A | 104.9° | 107.5° |
| N9A | C8A | N7A | 112.9° | 110.0° |
| N9A | C8A | H8A | 126.3° | 125.0° |
| N9A | C4A | C5A | 106.5° | 106.0° |
| N9A | C4A | N3A | 127.0° | 135.0° |
| N7A | C8A | H8A | 120.8° | 125.0° |
| C8A | N7A | C5A | 104.7° | 109.4° |
| N7A | C5A | C6A | 132.0° | 134.7° |
| N7A | C5A | C4A | 111.1° | 107.1° |
| C6A | C5A | C4A | 116.9° | 118.2° |
| C5A | C6A | O6A | 122.0° | 120.7° |
| C5A | C6A | N1A | 117.9° | 118.5° |
| C5A | C4A | N3A | 126.5° | 119.1° |
| O6A | C6A | N1A | 120.1° | 120.8° |
| C6A | O6A | HO6A | 122.0° | 106.9° |
| C6A | N1A | C2A | 120.0° | 121.3° |
| N1A | C2A | N3A | 126.0° | 122.5° |
| N1A | C2A | H2A | 117.6° | 118.8° |
| N3A | C2A | H2A | 116.4° | 118.7° |
| C2A | N3A | C4A | 112.6° | 120.6° |
| O3 | PN | O1N | 106.7° | 109.5° |
| O3 | PN | O2N | 117.6° | 109.4° |
| O3 | PN | O5D | 108.8° | 109.5° |
| O1N | PN | O2N | 117.7° | 109.5° |
| O1N | PN | O5D | 100.5° | 109.5° |
| O2N | PN | O5D | 103.9° | 109.5° |
| PN | O5D | C5D | 131.2° | 106.8° |
| O5D | C5D | C4D | 121.9° | 109.5° |
| O5D | C5D | H51N | 107.8° | 109.5° |
| O5D | C5D | H52N | 107.8° | 109.5° |
| C4D | C5D | H51N | 107.7° | 109.5° |
| C4D | C5D | H52N | 107.8° | 109.5° |
| C5D | C4D | O4D | 128.0° | 110.4° |
| C5D | C4D | C3D | 112.1° | 110.5° |
| C5D | C4D | H4D | 90.5° | 110.3° |
| H51N | C5D | H52N | 102.1° | 109.4° |
| O4D | C4D | C3D | 94.3° | 104.8° |
| O4D | C4D | H4D | 109.4° | 110.4° |
| C4D | O4D | C1D | 139.6° | 105.3° |
| C3D | C4D | H4D | 126.1° | 110.4° |
| C4D | C3D | O3D | 107.1° | 110.5° |
| C4D | C3D | C2D | 100.4° | 104.1° |
| C4D | C3D | H3D | 116.8° | 110.5° |
| O4D | C1D | C2D | 90.8° | 104.9° |
| O4D | C1D | N1N | 138.6° | 110.4° |
| O4D | C1D | H1D | 105.5° | 110.4° |
| O3D | C3D | C2D | 110.1° | 110.5° |
| O3D | C3D | H3D | 108.1° | 110.4° |
| C3D | O3D | HO3N | 107.1° | 106.8° |
| C2D | C3D | H3D | 114.0° | 110.6° |
| C3D | C2D | O2D | 112.4° | 110.5° |
| C3D | C2D | C1D | 108.2° | 104.0° |
| C3D | C2D | H2D | 107.1° | 110.5° |
| O2D | C2D | C1D | 105.3° | 110.8° |
| O2D | C2D | H2D | 109.9° | 110.5° |
| C2D | O2D | HO2N | 112.4° | 106.8° |
| C1D | C2D | H2D | 114.0° | 110.4° |
| C2D | C1D | N1N | 110.3° | 110.4° |
| C2D | C1D | H1D | 136.4° | 110.4° |
| N1N | C1D | H1D | 83.7° | 110.3° |
| C1D | N1N | C2N | 115.4° | 119.0° |
| C1D | N1N | C6N | 124.0° | 119.1° |
| C2N | N1N | C6N | 120.6° | 121.9° |
| N1N | C2N | C3N | 117.1° | 120.5° |
| N1N | C2N | H2N | 120.3° | 119.8° |
| N1N | C6N | C5N | 121.3° | 121.1° |
| N1N | C6N | H6N | 120.2° | 119.4° |
| C3N | C2N | H2N | 122.6° | 119.7° |
| C2N | C3N | C7N | 121.0° | 120.6° |
| C2N | C3N | C4N | 119.2° | 118.9° |
| C7N | C3N | C4N | 119.9° | 120.6° |
| C3N | C7N | O7N | 122.2° | 120.0° |
| C3N | C7N | N7N | 119.3° | 120.0° |
| C3N | C4N | C5N | 122.7° | 118.3° |
| C3N | C4N | H4N | 120.7° | 120.8° |
| O7N | C7N | N7N | 118.4° | 120.0° |
| C7N | N7N | H71N | 118.4° | 120.1° |
| C7N | N7N | H72N | 119.3° | 120.0° |
| H71N | N7N | H72N | 122.3° | 119.9° |
| C5N | C4N | H4N | 116.7° | 120.9° |
| C4N | C5N | C6N | 119.1° | 119.3° |
| C4N | C5N | H5N | 119.3° | 120.3° |
| C6N | C5N | H5N | 121.6° | 120.4° |
| C5N | C6N | H6N | 118.5° | 119.4° |
| O1X | P2B | O2X | 114.2° | 109.4° |
| O1X | P2B | O3X | 114.3° | 109.5° |
| O2X | P2B | O3X | 114.5° | 109.5° |
| P2B | O2X | HOP2 | 103.9° | 106.8° |
| P2B | O3X | HOP3 | 103.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5B | 115.3° | 120.0° |
| O1A | PA | O2A | O3 | 141.8° | 119.9° |
| O1A | PA | O5B | O3 | 132.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5B | C5B | 96.0° | 55.0° |
| O1A | PA | O3 | PN | 21.8° | 40.0° |
| O2A | PA | O5B | O3 | 109.8° | 120.0° |
| O2A | PA | O5B | C5B | 21.5° | 65.0° |
| O2A | PA | O3 | PN | 156.3° | 80.0° |
| O5B | PA | O2A | HOA2 | 64.7° | 60.0° |
| PA | O5B | C5B | C4B | 164.1° | 180.0° |
| PA | O5B | C5B | H51A | 38.7° | 60.0° |
| PA | O5B | C5B | H52A | 70.6° | 60.0° |
| O5B | PA | O3 | PN | 98.4° | 160.0° |
| O3 | PA | O2A | HOA2 | 38.2° | 60.0° |
| O3 | PA | O5B | C5B | 131.4° | 175.0° |
| PA | O3 | PN | O1N | 105.1° | 80.0° |
| PA | O3 | PN | O2N | 29.6° | 40.0° |
| PA | O3 | PN | O5D | 147.3° | 160.0° |
| O5B | C5B | C4B | H51A | 125.3° | 120.0° |
| O5B | C5B | C4B | H52A | 125.3° | 120.0° |
| O5B | C5B | H51A | H52A | 120.9° | 120.0° |
| O5B | C5B | C4B | O4B | 161.9° | 66.7° |
| O5B | C5B | C4B | C3B | 52.4° | 175.3° |
| O5B | C5B | C4B | H4B | 72.1° | 54.3° |
| C4B | C5B | H51A | H52A | 120.9° | 120.1° |
| C5B | C4B | O4B | C3B | 116.0° | 119.4° |
| C5B | C4B | O4B | H4B | 120.6° | 121.1° |
| C5B | C4B | C3B | H4B | 121.0° | 121.0° |
| C5B | C4B | O4B | C1B | 129.6° | 145.9° |
| C5B | C4B | C3B | O3B | 72.4° | 119.9° |
| C5B | C4B | C3B | C2B | 151.0° | 121.4° |
| C5B | C4B | C3B | H3B | 31.3° | 2.8° |
| H51A | C5B | C4B | O4B | 72.8° | 53.2° |
| H51A | C5B | C4B | C3B | 177.7° | 64.7° |
| H51A | C5B | C4B | H4B | 53.2° | 174.3° |
| H52A | C5B | C4B | O4B | 36.6° | 173.3° |
| H52A | C5B | C4B | C3B | 72.8° | 55.4° |
| H52A | C5B | C4B | H4B | 162.6° | 65.7° |
| O4B | C4B | C3B | H4B | 125.2° | 119.5° |
| O4B | C4B | C3B | O3B | 173.9° | 120.7° |
| O4B | C4B | C3B | C2B | 37.2° | 2.0° |
| O4B | C4B | C3B | H3B | 82.5° | 116.6° |
| C4B | O4B | C1B | C2B | 13.3° | 40.1° |
| C4B | O4B | C1B | N9A | 117.0° | 158.7° |
| C4B | O4B | C1B | H1B | 127.4° | 78.4° |
| C3B | C4B | O4B | C1B | 13.5° | 26.5° |
| C4B | C3B | O3B | C2B | 135.1° | 114.7° |
| C4B | C3B | O3B | H3B | 106.6° | 122.8° |
| C4B | C3B | C2B | H3B | 111.8° | 118.6° |
| C4B | C3B | O3B | HO3A | 179.9° | 65.3° |
| C4B | C3B | C2B | O2B | 58.5° | 139.2° |
| C4B | C3B | C2B | C1B | 43.7° | 21.0° |
| C4B | C3B | C2B | H2B | 173.8° | 97.2° |
| H4B | C4B | O4B | C1B | 109.8° | 93.0° |
| H4B | C4B | C3B | O3B | 48.6° | 1.2° |
| H4B | C4B | C3B | C2B | 88.1° | 117.5° |
| H4B | C4B | C3B | H3B | 152.2° | 123.9° |
| O4B | C1B | C2B | C3B | 32.7° | 37.1° |
| O4B | C1B | C2B | O2B | 74.6° | 155.3° |
| O4B | C1B | C2B | N9A | 120.5° | 118.6° |
| O4B | C1B | C2B | H1B | 125.2° | 118.5° |
| O4B | C1B | C2B | H2B | 159.4° | 81.2° |
| O4B | C1B | N9A | H1B | 125.4° | 122.9° |
| O4B | C1B | N9A | C8A | 29.0° | 23.5° |
| O4B | C1B | N9A | C4A | 150.9° | 156.7° |
| O3B | C3B | C2B | H3B | 107.3° | 122.5° |
| O3B | C3B | C2B | O2B | 82.4° | 20.3° |
| O3B | C3B | C2B | C1B | 175.4° | 97.9° |
| O3B | C3B | C2B | H2B | 45.3° | 143.9° |
| C2B | C3B | O3B | HO3A | 44.9° | 180.0° |
| C3B | C2B | O2B | C1B | 98.8° | 112.7° |
| C3B | C2B | O2B | H2B | 129.8° | 123.7° |
| C3B | C2B | C1B | H2B | 126.7° | 118.3° |
| C3B | C2B | O2B | P2B | 151.7° | 127.3° |
| C3B | C2B | C1B | N9A | 87.8° | 155.7° |
| C3B | C2B | C1B | H1B | 157.9° | 81.4° |
| H3B | C3B | O3B | HO3A | 73.3° | 57.5° |
| H3B | C3B | C2B | O2B | 170.3° | 102.2° |
| H3B | C3B | C2B | C1B | 68.1° | 139.6° |
| H3B | C3B | C2B | H2B | 62.0° | 21.4° |
| O2B | C2B | C1B | H2B | 126.0° | 123.6° |
| O2B | C2B | C1B | N9A | 164.8° | 86.1° |
| O2B | C2B | C1B | H1B | 50.6° | 36.8° |
| C2B | O2B | P2B | O1X | 70.3° | 55.0° |
| C2B | O2B | P2B | O2X | 169.7° | 65.0° |
| C2B | O2B | P2B | O3X | 49.7° | 175.0° |
| C1B | C2B | O2B | P2B | 109.5° | 120.0° |
| C2B | C1B | N9A | H1B | 112.8° | 122.9° |
| C2B | C1B | N9A | C8A | 92.8° | 90.6° |
| C2B | C1B | N9A | C4A | 87.3° | 89.2° |
| H2B | C2B | O2B | P2B | 21.9° | 3.6° |
| H2B | C2B | C1B | N9A | 38.9° | 37.4° |
| H2B | C2B | C1B | H1B | 75.4° | 160.3° |
| O2B | P2B | O1X | O2X | 112.7° | 119.9° |
| O2B | P2B | O1X | O3X | 112.7° | 120.0° |
| O2B | P2B | O2X | O3X | 112.6° | 120.0° |
| O2B | P2B | O2X | HOP2 | 180.0° | 60.1° |
| O2B | P2B | O3X | HOP3 | 180.0° | 180.0° |
| C1B | N9A | C8A | C4A | 179.9° | 179.8° |
| C1B | N9A | C8A | N7A | 179.9° | 180.0° |
| C1B | N9A | C8A | H8A | 0.1° | 0.0° |
| C1B | N9A | C4A | C5A | 179.8° | 179.9° |
| C1B | N9A | C4A | N3A | 0.1° | 0.7° |
| H1B | C1B | N9A | C8A | 154.3° | 146.4° |
| H1B | C1B | N9A | C4A | 25.6° | 33.8° |
| N9A | C8A | N7A | H8A | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 0.1° | 0.0° |
| C8A | N9A | C4A | C5A | 0.1° | 0.3° |
| C8A | N9A | C4A | N3A | 180.0° | 179.5° |
| C4A | N9A | C8A | N7A | 0.0° | 0.2° |
| C4A | N9A | C8A | H8A | 180.0° | 179.8° |
| N9A | C4A | C5A | N7A | 0.1° | 0.3° |
| N9A | C4A | C5A | C6A | 179.9° | 179.8° |
| N9A | C4A | C5A | N3A | 179.9° | 179.4° |
| N9A | C4A | N3A | C2A | 180.0° | 179.7° |
| C8A | N7A | C5A | C6A | 179.8° | 180.0° |
| C8A | N7A | C5A | C4A | 0.1° | 0.2° |
| H8A | C8A | N7A | C5A | 179.9° | 180.0° |
| N7A | C5A | C6A | C4A | 179.7° | 179.8° |
| N7A | C5A | C6A | O6A | 0.3° | 0.1° |
| N7A | C5A | C6A | N1A | 179.9° | 179.9° |
| N7A | C5A | C4A | N3A | 180.0° | 179.7° |
| C5A | C6A | O6A | N1A | 179.8° | 180.0° |
| C5A | C6A | O6A | HO6A | 179.9° | 90.0° |
| C5A | C6A | N1A | C2A | 0.2° | 0.0° |
| C6A | C5A | C4A | N3A | 0.2° | 0.5° |
| C4A | C5A | C6A | O6A | 180.0° | 179.7° |
| C4A | C5A | C6A | N1A | 0.2° | 0.2° |
| C5A | C4A | N3A | C2A | 0.1° | 0.5° |
| O6A | C6A | N1A | C2A | 180.0° | 179.9° |
| N1A | C6A | O6A | HO6A | 0.3° | 90.0° |
| C6A | N1A | C2A | N3A | 0.0° | 0.1° |
| C6A | N1A | C2A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.0° | 0.3° |
| H2A | C2A | N3A | C4A | 180.0° | 179.8° |
| O3 | PN | O1N | O2N | 134.7° | 120.0° |
| O3 | PN | O1N | O5D | 113.4° | 120.0° |
| O3 | PN | O2N | O5D | 120.3° | 120.0° |
| O3 | PN | O5D | C5D | 29.0° | 175.0° |
| O1N | PN | O2N | O5D | 110.0° | 120.0° |
| O1N | PN | O5D | C5D | 82.8° | 65.0° |
| O2N | PN | O5D | C5D | 155.1° | 55.0° |
| PN | O5D | C5D | C4D | 104.9° | 180.0° |
| PN | O5D | C5D | H51N | 129.9° | 60.0° |
| PN | O5D | C5D | H52N | 20.4° | 60.0° |
| O5D | C5D | C4D | H51N | 125.3° | 120.0° |
| O5D | C5D | C4D | H52N | 125.3° | 120.0° |
| O5D | C5D | H51N | H52N | 113.4° | 120.0° |
| O5D | C5D | C4D | O4D | 131.6° | 66.4° |
| O5D | C5D | C4D | C3D | 16.7° | 178.1° |
| O5D | C5D | C4D | H4D | 113.1° | 55.8° |
| C4D | C5D | H51N | H52N | 113.3° | 120.0° |
| C5D | C4D | O4D | C3D | 122.6° | 119.0° |
| C5D | C4D | O4D | H4D | 106.6° | 122.2° |
| C5D | C4D | C3D | H4D | 107.9° | 122.3° |
| C5D | C4D | O4D | C1D | 152.4° | 159.5° |
| C5D | C4D | C3D | O3D | 89.3° | 98.3° |
| C5D | C4D | C3D | C2D | 155.8° | 143.0° |
| C5D | C4D | C3D | H3D | 32.0° | 24.2° |
| H51N | C5D | C4D | O4D | 103.2° | 173.5° |
| H51N | C5D | C4D | C3D | 141.9° | 58.1° |
| H51N | C5D | C4D | H4D | 12.2° | 64.2° |
| H52N | C5D | C4D | O4D | 6.3° | 53.6° |
| H52N | C5D | C4D | C3D | 108.6° | 61.9° |
| H52N | C5D | C4D | H4D | 121.7° | 175.8° |
| O4D | C4D | C3D | H4D | 117.8° | 118.8° |
| O4D | C4D | C3D | O3D | 136.5° | 142.8° |
| O4D | C4D | C3D | C2D | 21.6° | 24.1° |
| O4D | C4D | C3D | H3D | 102.2° | 94.7° |
| C4D | O4D | C1D | C2D | 17.7° | 40.4° |
| C4D | O4D | C1D | N1N | 140.4° | 159.3° |
| C4D | O4D | C1D | H1D | 121.4° | 78.5° |
| C3D | C4D | O4D | C1D | 29.8° | 40.5° |
| C4D | C3D | O3D | C2D | 108.3° | 114.7° |
| C4D | C3D | O3D | H3D | 126.6° | 122.6° |
| C4D | C3D | C2D | H3D | 125.7° | 118.7° |
| C4D | C3D | O3D | HO3N | 180.0° | 180.0° |
| C4D | C3D | C2D | O2D | 97.7° | 118.8° |
| C4D | C3D | C2D | C1D | 18.1° | 0.2° |
| C4D | C3D | C2D | H2D | 141.5° | 118.6° |
| H4D | C4D | O4D | C1D | 100.9° | 78.3° |
| H4D | C4D | C3D | O3D | 18.7° | 24.0° |
| H4D | C4D | C3D | C2D | 96.3° | 94.7° |
| H4D | C4D | C3D | H3D | 139.9° | 146.5° |
| O4D | C1D | C2D | C3D | 5.8° | 23.8° |
| O4D | C1D | C2D | O2D | 114.7° | 142.6° |
| O4D | C1D | C2D | N1N | 143.6° | 118.9° |
| O4D | C1D | C2D | H1D | 113.7° | 118.9° |
| O4D | C1D | C2D | H2D | 124.8° | 94.7° |
| O4D | C1D | N1N | H1D | 106.3° | 122.2° |
| O4D | C1D | N1N | C2N | 96.3° | 142.6° |
| O4D | C1D | N1N | C6N | 83.5° | 37.1° |
| O3D | C3D | C2D | H3D | 121.6° | 122.6° |
| O3D | C3D | C2D | O2D | 14.9° | 0.1° |
| O3D | C3D | C2D | C1D | 130.8° | 118.8° |
| O3D | C3D | C2D | H2D | 105.9° | 122.7° |
| C2D | C3D | O3D | HO3N | 71.7° | 65.3° |
| C3D | C2D | O2D | C1D | 117.6° | 114.7° |
| C3D | C2D | O2D | H2D | 119.2° | 122.6° |
| C3D | C2D | C1D | H2D | 119.0° | 118.5° |
| C3D | C2D | O2D | HO2N | 180.0° | 61.4° |
| C3D | C2D | C1D | N1N | 137.9° | 142.7° |
| C3D | C2D | C1D | H1D | 119.5° | 95.1° |
| H3D | C3D | O3D | HO3N | 53.4° | 57.4° |
| H3D | C3D | C2D | O2D | 136.6° | 122.5° |
| H3D | C3D | C2D | C1D | 107.6° | 118.6° |
| H3D | C3D | C2D | H2D | 15.8° | 0.1° |
| O2D | C2D | C1D | H2D | 120.5° | 122.7° |
| O2D | C2D | C1D | N1N | 101.7° | 98.5° |
| O2D | C2D | C1D | H1D | 0.9° | 23.7° |
| C1D | C2D | O2D | HO2N | 62.4° | 176.1° |
| C2D | C1D | N1N | H1D | 137.4° | 122.2° |
| C2D | C1D | N1N | C2N | 147.4° | 101.8° |
| C2D | C1D | N1N | C6N | 32.8° | 78.5° |
| H2D | C2D | O2D | HO2N | 60.8° | 61.2° |
| H2D | C2D | C1D | N1N | 18.8° | 24.2° |
| H2D | C2D | C1D | H1D | 121.5° | 146.4° |
| C1D | N1N | C2N | C6N | 179.8° | 179.7° |
| C1D | N1N | C2N | C3N | 179.9° | 179.6° |
| C1D | N1N | C2N | H2N | 0.1° | 0.4° |
| C1D | N1N | C6N | C5N | 180.0° | 179.9° |
| C1D | N1N | C6N | H6N | 0.1° | 0.0° |
| H1D | C1D | N1N | C2N | 10.1° | 20.4° |
| H1D | C1D | N1N | C6N | 170.1° | 159.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.3° |
| N1N | C2N | C3N | C7N | 179.9° | 179.7° |
| N1N | C2N | C3N | C4N | 0.1° | 0.6° |
| C2N | N1N | C6N | C5N | 0.2° | 0.4° |
| C2N | N1N | C6N | H6N | 179.9° | 179.7° |
| C6N | N1N | C2N | C3N | 0.1° | 0.7° |
| C6N | N1N | C2N | H2N | 179.9° | 180.0° |
| N1N | C6N | C5N | C4N | 0.1° | 0.1° |
| N1N | C6N | C5N | H6N | 179.9° | 179.9° |
| N1N | C6N | C5N | H5N | 179.8° | 179.9° |
| C2N | C3N | C7N | C4N | 179.8° | 179.7° |
| C2N | C3N | C7N | O7N | 3.6° | 0.3° |
| C2N | C3N | C7N | N7N | 176.7° | 179.7° |
| C2N | C3N | C4N | C5N | 0.1° | 0.3° |
| C2N | C3N | C4N | H4N | 179.8° | 179.7° |
| H2N | C2N | C3N | C7N | 0.1° | 0.4° |
| H2N | C2N | C3N | C4N | 179.9° | 179.9° |
| C3N | C7N | O7N | N7N | 179.7° | 180.0° |
| C3N | C7N | N7N | H71N | 0.3° | 180.0° |
| C3N | C7N | N7N | H72N | 180.0° | 0.2° |
| C7N | C3N | C4N | C5N | 179.9° | 180.0° |
| C7N | C3N | C4N | H4N | 0.0° | 0.0° |
| C4N | C3N | C7N | O7N | 176.2° | 180.0° |
| C4N | C3N | C7N | N7N | 3.5° | 0.0° |
| C3N | C4N | C5N | H4N | 180.0° | 180.0° |
| C3N | C4N | C5N | C6N | 0.0° | 0.0° |
| C3N | C4N | C5N | H5N | 180.0° | 179.9° |
| O7N | C7N | N7N | H71N | 180.0° | 0.0° |
| O7N | C7N | N7N | H72N | 0.3° | 179.7° |
| C7N | N7N | H71N | H72N | 179.7° | 179.7° |
| C4N | C5N | C6N | H5N | 180.0° | 180.0° |
| C4N | C5N | C6N | H6N | 179.9° | 180.0° |
| H4N | C4N | C5N | C6N | 179.9° | 180.0° |
| H4N | C4N | C5N | H5N | 0.0° | 0.0° |
| H5N | C5N | C6N | H6N | 0.1° | 0.0° |
| O1X | P2B | O2X | O3X | 134.6° | 120.0° |
| O1X | P2B | O2X | HOP2 | 67.2° | 180.0° |
| O1X | P2B | O3X | HOP3 | 67.1° | 60.0° |
| O2X | P2B | O3X | HOP3 | 67.4° | 60.0° |
| O3X | P2B | O2X | HOP2 | 67.4° | 60.0° |
