UPA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1U | C2U | sing | 1.34Å | 1.37Å | |
| N1U | C6U | sing | 1.37Å | 1.35Å | |
| N1U | C1D | sing | 1.47Å | 1.49Å | |
| C2U | O2U | doub | 1.22Å | 1.24Å | |
| C2U | N3U | sing | 1.35Å | 1.37Å | |
| N3U | C4U | sing | 1.35Å | 1.36Å | |
| N3U | H3U | sing | 0.97Å | 1.02Å | |
| O4U | C4U | doub | 1.22Å | 1.25Å | |
| C4U | C5U | sing | 1.42Å | 1.42Å | |
| C5U | C6U | doub | 1.35Å | 1.34Å | |
| C5U | H5U | sing | 1.08Å | 1.10Å | |
| C6U | H6U | sing | 1.08Å | 1.10Å | |
| C5D | O5D | sing | 1.43Å | 1.43Å | |
| C5D | C4D | sing | 1.53Å | 1.55Å | |
| C5D | H5U1 | sing | 1.09Å | 1.11Å | |
| C5D | H5U2 | sing | 1.09Å | 1.12Å | |
| O5D | HOU5 | sing | 0.97Å | 0.95Å | |
| C4D | O4D | sing | 1.44Å | 1.48Å | |
| C4D | C3D | sing | 1.54Å | 1.52Å | |
| C4D | H4U' | sing | 1.09Å | 1.12Å | |
| O4D | C1D | sing | 1.44Å | 1.46Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.55Å | 1.55Å | |
| C3D | H3U' | sing | 1.09Å | 1.11Å | |
| O3D | HOU3 | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.41Å | |
| C2D | C1D | sing | 1.55Å | 1.52Å | |
| C2D | H2U' | sing | 1.09Å | 1.11Å | |
| O2D | P | sing | 1.61Å | 1.56Å | |
| C1D | H1U' | sing | 1.09Å | 1.12Å | |
| P | O1P | doub | 1.48Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| P | O5B | sing | 1.61Å | 1.52Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5B | C4B | sing | 1.53Å | 1.49Å | |
| C5B | H5A1 | sing | 1.09Å | 1.12Å | |
| C5B | H5A2 | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C3B | sing | 1.55Å | 1.55Å | |
| C4B | H4A' | sing | 1.09Å | 1.12Å | |
| O4B | C1B | sing | 1.44Å | 1.45Å | |
| C3B | O3B | sing | 1.43Å | 1.39Å | |
| C3B | C2B | sing | 1.55Å | 1.57Å | |
| C3B | H3A' | sing | 1.09Å | 1.12Å | |
| O3B | HOA3 | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.45Å | |
| C2B | C1B | sing | 1.54Å | 1.52Å | |
| C2B | H2A' | sing | 1.09Å | 1.11Å | |
| O2B | HOA2 | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.47Å | |
| C1B | H1A' | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.37Å | 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 | 1.40Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| C6A | C5A | sing | 1.41Å | 1.41Å | Aromatic |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| N6A | H6A1 | sing | 0.97Å | 1.02Å | |
| N6A | H6A2 | sing | 0.97Å | 1.02Å | |
| C5A | C4A | doub | 1.40Å | 1.37Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.37Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.31Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.34Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2U | N1U | C6U | 120.2° | 120.6° |
| C2U | N1U | C1D | 117.9° | 119.7° |
| N1U | C2U | O2U | 123.4° | 119.5° |
| N1U | C2U | N3U | 116.8° | 120.9° |
| C6U | N1U | C1D | 121.9° | 119.7° |
| N1U | C6U | C5U | 121.6° | 119.8° |
| N1U | C6U | H6U | 119.7° | 120.2° |
| N1U | C1D | O4D | 105.4° | 110.6° |
| N1U | C1D | C2D | 118.8° | 110.8° |
| N1U | C1D | H1U' | 104.3° | 110.5° |
| O2U | C2U | N3U | 119.8° | 119.6° |
| C2U | N3U | C4U | 126.3° | 120.3° |
| C2U | N3U | H3U | 117.0° | 119.8° |
| C4U | N3U | H3U | 116.7° | 119.8° |
| N3U | C4U | O4U | 120.2° | 120.3° |
| N3U | C4U | C5U | 113.2° | 119.3° |
| O4U | C4U | C5U | 126.5° | 120.4° |
| C4U | C5U | C6U | 122.0° | 119.1° |
| C4U | C5U | H5U | 122.0° | 120.4° |
| C6U | C5U | H5U | 116.1° | 120.6° |
| C5U | C6U | H6U | 118.7° | 120.1° |
| O5D | C5D | C4D | 109.0° | 109.5° |
| O5D | C5D | H5U1 | 112.5° | 109.4° |
| O5D | C5D | H5U2 | 112.4° | 109.5° |
| C5D | O5D | HOU5 | 108.9° | 106.8° |
| C4D | C5D | H5U1 | 112.4° | 109.5° |
| C4D | C5D | H5U2 | 112.4° | 109.5° |
| C5D | C4D | O4D | 111.0° | 110.0° |
| C5D | C4D | C3D | 106.8° | 109.9° |
| C5D | C4D | H4U' | 107.6° | 109.9° |
| H5U1 | C5D | H5U2 | 98.0° | 109.5° |
| O4D | C4D | C3D | 100.0° | 107.2° |
| O4D | C4D | H4U' | 113.7° | 109.9° |
| C4D | O4D | C1D | 109.7° | 107.0° |
| C3D | C4D | H4U' | 117.5° | 109.9° |
| C4D | C3D | O3D | 105.3° | 110.6° |
| C4D | C3D | C2D | 97.7° | 104.2° |
| C4D | C3D | H3U' | 119.5° | 110.5° |
| O4D | C1D | C2D | 103.2° | 103.5° |
| O4D | C1D | H1U' | 119.6° | 110.6° |
| O3D | C3D | C2D | 110.8° | 110.5° |
| O3D | C3D | H3U' | 108.2° | 110.4° |
| C3D | O3D | HOU3 | 105.2° | 106.9° |
| C2D | C3D | H3U' | 114.7° | 110.5° |
| C3D | C2D | O2D | 108.6° | 110.9° |
| C3D | C2D | C1D | 103.5° | 102.1° |
| C3D | C2D | H2U' | 113.6° | 110.9° |
| O2D | C2D | C1D | 108.8° | 111.0° |
| O2D | C2D | H2U' | 108.8° | 110.8° |
| C2D | O2D | P | 126.0° | 106.8° |
| C1D | C2D | H2U' | 113.4° | 110.9° |
| C2D | C1D | H1U' | 106.4° | 110.6° |
| O2D | P | O1P | 109.4° | 109.5° |
| O2D | P | O2P | 103.2° | 109.5° |
| O2D | P | O5B | 106.1° | 109.5° |
| O1P | P | O2P | 111.2° | 109.5° |
| O1P | P | O5B | 116.1° | 109.4° |
| O2P | P | O5B | 109.9° | 109.5° |
| P | O2P | HOP2 | 103.2° | 106.8° |
| P | O5B | C5B | 128.2° | 106.8° |
| O5B | C5B | C4B | 111.5° | 109.5° |
| O5B | C5B | H5A1 | 111.5° | 109.5° |
| O5B | C5B | H5A2 | 111.5° | 109.5° |
| C4B | C5B | H5A1 | 111.4° | 109.4° |
| C4B | C5B | H5A2 | 111.5° | 109.4° |
| C5B | C4B | O4B | 110.0° | 110.4° |
| C5B | C4B | C3B | 114.2° | 110.5° |
| C5B | C4B | H4A' | 104.2° | 110.3° |
| H5A1 | C5B | H5A2 | 98.9° | 109.5° |
| O4B | C4B | C3B | 103.6° | 104.8° |
| O4B | C4B | H4A' | 114.7° | 110.5° |
| C4B | O4B | C1B | 101.7° | 105.3° |
| C3B | C4B | H4A' | 110.5° | 110.3° |
| C4B | C3B | O3B | 106.9° | 110.5° |
| C4B | C3B | C2B | 103.3° | 104.1° |
| C4B | C3B | H3A' | 113.5° | 110.5° |
| O4B | C1B | C2B | 101.7° | 105.0° |
| O4B | C1B | N9A | 105.8° | 110.4° |
| O4B | C1B | H1A' | 119.3° | 110.3° |
| O3B | C3B | C2B | 104.9° | 110.5° |
| O3B | C3B | H3A' | 112.1° | 110.5° |
| C3B | O3B | HOA3 | 106.9° | 106.8° |
| C2B | C3B | H3A' | 115.3° | 110.6° |
| C3B | C2B | O2B | 109.7° | 110.5° |
| C3B | C2B | C1B | 101.3° | 103.9° |
| C3B | C2B | H2A' | 113.3° | 110.5° |
| O2B | C2B | C1B | 105.5° | 110.8° |
| O2B | C2B | H2A' | 109.6° | 110.5° |
| C2B | O2B | HOA2 | 109.7° | 106.8° |
| C1B | C2B | H2A' | 117.0° | 110.4° |
| C2B | C1B | N9A | 116.6° | 110.3° |
| C2B | C1B | H1A' | 109.0° | 110.4° |
| N9A | C1B | H1A' | 105.1° | 110.3° |
| C1B | N9A | C8A | 129.7° | 126.3° |
| C1B | N9A | C4A | 123.8° | 126.3° |
| C8A | N9A | C4A | 106.1° | 107.4° |
| N9A | C8A | N7A | 114.4° | 110.0° |
| N9A | C8A | H8A | 124.9° | 124.9° |
| N9A | C4A | C5A | 105.1° | 106.0° |
| N9A | C4A | N3A | 127.1° | 134.9° |
| N7A | C8A | H8A | 120.7° | 125.1° |
| C8A | N7A | C5A | 102.9° | 109.5° |
| N7A | C5A | C6A | 130.8° | 134.7° |
| N7A | C5A | C4A | 111.6° | 107.2° |
| N6A | C6A | C5A | 122.3° | 120.8° |
| N6A | C6A | N1A | 122.9° | 120.8° |
| C6A | N6A | H6A1 | 122.2° | 120.0° |
| C6A | N6A | H6A2 | 107.6° | 120.0° |
| C5A | C6A | N1A | 114.8° | 118.4° |
| C6A | C5A | C4A | 117.6° | 118.2° |
| C6A | N1A | C2A | 122.0° | 121.2° |
| H6A1 | N6A | H6A2 | 107.7° | 120.0° |
| C5A | C4A | N3A | 127.9° | 119.1° |
| C4A | N3A | C2A | 109.3° | 120.6° |
| N3A | C2A | N1A | 128.4° | 122.5° |
| N3A | C2A | H2A | 114.7° | 118.7° |
| N1A | C2A | H2A | 116.9° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2U | N1U | C6U | C1D | 178.7° | 179.7° |
| N1U | C2U | O2U | N3U | 178.5° | 179.5° |
| N1U | C2U | N3U | C4U | 1.5° | 0.5° |
| N1U | C2U | N3U | H3U | 178.4° | 179.7° |
| C2U | N1U | C6U | C5U | 0.5° | 0.3° |
| C2U | N1U | C6U | H6U | 179.5° | 179.7° |
| C2U | N1U | C1D | O4D | 142.7° | 58.2° |
| C2U | N1U | C1D | C2D | 102.4° | 56.0° |
| C2U | N1U | C1D | H1U' | 15.9° | 178.9° |
| C6U | N1U | C2U | O2U | 177.6° | 180.0° |
| C6U | N1U | C2U | N3U | 1.0° | 0.5° |
| N1U | C6U | C5U | C4U | 1.4° | 0.0° |
| N1U | C6U | C5U | H6U | 180.0° | 180.0° |
| N1U | C6U | C5U | H5U | 178.5° | 180.0° |
| C6U | N1U | C1D | O4D | 36.0° | 121.5° |
| C6U | N1U | C1D | C2D | 78.9° | 124.4° |
| C6U | N1U | C1D | H1U' | 162.8° | 1.5° |
| C1D | N1U | C2U | O2U | 3.6° | 0.3° |
| C1D | N1U | C2U | N3U | 177.8° | 179.8° |
| C1D | N1U | C6U | C5U | 179.2° | 180.0° |
| C1D | N1U | C6U | H6U | 0.8° | 0.1° |
| N1U | C1D | O4D | C4D | 132.3° | 158.7° |
| N1U | C1D | O4D | C2D | 125.3° | 118.7° |
| N1U | C1D | O4D | H1U' | 116.8° | 122.8° |
| N1U | C1D | C2D | C3D | 91.6° | 155.6° |
| N1U | C1D | C2D | O2D | 153.1° | 86.2° |
| N1U | C1D | C2D | H1U' | 117.1° | 122.9° |
| N1U | C1D | C2D | H2U' | 31.9° | 37.4° |
| O2U | C2U | N3U | C4U | 177.1° | 180.0° |
| O2U | C2U | N3U | H3U | 2.9° | 0.3° |
| C2U | N3U | C4U | H3U | 180.0° | 179.7° |
| C2U | N3U | C4U | O4U | 177.9° | 179.7° |
| C2U | N3U | C4U | C5U | 0.6° | 0.3° |
| N3U | C4U | O4U | C5U | 178.3° | 180.0° |
| N3U | C4U | C5U | C6U | 0.9° | 0.0° |
| N3U | C4U | C5U | H5U | 179.1° | 180.0° |
| H3U | N3U | C4U | O4U | 2.1° | 0.0° |
| H3U | N3U | C4U | C5U | 179.4° | 180.0° |
| O4U | C4U | C5U | C6U | 179.3° | 180.0° |
| O4U | C4U | C5U | H5U | 0.7° | 0.0° |
| C4U | C5U | C6U | H5U | 180.0° | 180.0° |
| C4U | C5U | C6U | H6U | 178.5° | 180.0° |
| H5U | C5U | C6U | H6U | 1.5° | 0.0° |
| O5D | C5D | C4D | H5U1 | 125.3° | 119.9° |
| O5D | C5D | C4D | H5U2 | 125.3° | 120.0° |
| O5D | C5D | H5U1 | H5U2 | 118.4° | 120.0° |
| O5D | C5D | C4D | O4D | 36.8° | 62.2° |
| O5D | C5D | C4D | C3D | 71.2° | 180.0° |
| O5D | C5D | C4D | H4U' | 161.8° | 58.9° |
| C4D | C5D | H5U1 | H5U2 | 118.3° | 120.0° |
| C4D | C5D | O5D | HOU5 | 180.0° | 180.0° |
| C5D | C4D | O4D | C3D | 112.4° | 119.5° |
| C5D | C4D | O4D | H4U' | 121.5° | 121.1° |
| C5D | C4D | C3D | H4U' | 120.9° | 121.1° |
| C5D | C4D | O4D | C1D | 148.4° | 146.0° |
| C5D | C4D | C3D | O3D | 82.1° | 119.7° |
| C5D | C4D | C3D | C2D | 163.8° | 121.6° |
| C5D | C4D | C3D | H3U' | 39.7° | 2.9° |
| H5U1 | C5D | O5D | HOU5 | 54.8° | 60.0° |
| H5U1 | C5D | C4D | O4D | 162.1° | 177.9° |
| H5U1 | C5D | C4D | C3D | 54.1° | 60.1° |
| H5U1 | C5D | C4D | H4U' | 72.9° | 61.0° |
| H5U2 | C5D | O5D | HOU5 | 54.7° | 60.0° |
| H5U2 | C5D | C4D | O4D | 88.5° | 57.8° |
| H5U2 | C5D | C4D | C3D | 163.5° | 60.0° |
| H5U2 | C5D | C4D | H4U' | 36.5° | 179.0° |
| O4D | C4D | C3D | H4U' | 123.5° | 119.4° |
| O4D | C4D | C3D | O3D | 162.3° | 120.8° |
| O4D | C4D | C3D | C2D | 48.2° | 2.1° |
| O4D | C4D | C3D | H3U' | 76.0° | 116.7° |
| C4D | O4D | C1D | C2D | 7.0° | 40.1° |
| C4D | O4D | C1D | H1U' | 110.9° | 78.4° |
| C3D | C4D | O4D | C1D | 36.0° | 26.5° |
| C4D | C3D | O3D | C2D | 104.6° | 114.9° |
| C4D | C3D | O3D | H3U' | 128.8° | 122.6° |
| C4D | C3D | C2D | H3U' | 127.6° | 118.7° |
| C4D | C3D | O3D | HOU3 | 180.0° | 65.1° |
| C4D | C3D | C2D | O2D | 69.9° | 139.1° |
| C4D | C3D | C2D | C1D | 45.6° | 20.8° |
| C4D | C3D | C2D | H2U' | 169.0° | 97.4° |
| H4U' | C4D | O4D | C1D | 90.1° | 92.9° |
| H4U' | C4D | C3D | O3D | 38.8° | 1.4° |
| H4U' | C4D | C3D | C2D | 75.3° | 117.4° |
| H4U' | C4D | C3D | H3U' | 160.6° | 123.9° |
| O4D | C1D | C2D | C3D | 24.6° | 37.0° |
| O4D | C1D | C2D | O2D | 90.8° | 155.2° |
| O4D | C1D | C2D | H1U' | 126.7° | 118.5° |
| O4D | C1D | C2D | H2U' | 148.1° | 81.2° |
| O3D | C3D | C2D | H3U' | 122.8° | 122.5° |
| O3D | C3D | C2D | O2D | 39.7° | 20.3° |
| O3D | C3D | C2D | C1D | 155.2° | 98.0° |
| O3D | C3D | C2D | H2U' | 81.4° | 143.8° |
| C2D | C3D | O3D | HOU3 | 75.3° | 180.0° |
| C3D | C2D | O2D | C1D | 112.0° | 112.7° |
| C3D | C2D | O2D | H2U' | 124.0° | 123.6° |
| C3D | C2D | C1D | H2U' | 123.5° | 118.2° |
| C3D | C2D | O2D | P | 107.8° | 124.3° |
| C3D | C2D | C1D | H1U' | 151.3° | 81.5° |
| H3U' | C3D | O3D | HOU3 | 51.2° | 57.4° |
| H3U' | C3D | C2D | O2D | 162.6° | 102.2° |
| H3U' | C3D | C2D | C1D | 82.0° | 139.5° |
| H3U' | C3D | C2D | H2U' | 41.4° | 21.3° |
| O2D | C2D | C1D | H2U' | 121.1° | 123.6° |
| O2D | C2D | C1D | H1U' | 35.9° | 36.6° |
| C2D | O2D | P | O1P | 128.7° | 60.0° |
| C2D | O2D | P | O2P | 10.2° | 60.0° |
| C2D | O2D | P | O5B | 105.3° | 180.0° |
| C1D | C2D | O2D | P | 140.1° | 123.0° |
| H2U' | C2D | O2D | P | 16.2° | 0.8° |
| H2U' | C2D | C1D | H1U' | 85.2° | 160.3° |
| O2D | P | O1P | O2P | 113.4° | 120.0° |
| O2D | P | O1P | O5B | 120.0° | 120.0° |
| O2D | P | O2P | O5B | 112.8° | 120.0° |
| O2D | P | O2P | HOP2 | 180.0° | 60.0° |
| O2D | P | O5B | C5B | 161.0° | 180.0° |
| O1P | P | O2P | O5B | 130.0° | 120.0° |
| O1P | P | O2P | HOP2 | 62.7° | 180.0° |
| O1P | P | O5B | C5B | 39.2° | 60.0° |
| O2P | P | O5B | C5B | 88.1° | 60.0° |
| O5B | P | O2P | HOP2 | 67.2° | 60.0° |
| P | O5B | C5B | C4B | 158.9° | 180.0° |
| P | O5B | C5B | H5A1 | 75.8° | 60.0° |
| P | O5B | C5B | H5A2 | 33.6° | 60.0° |
| O5B | C5B | C4B | H5A1 | 125.3° | 120.0° |
| O5B | C5B | C4B | H5A2 | 125.3° | 120.0° |
| O5B | C5B | H5A1 | H5A2 | 117.3° | 120.1° |
| O5B | C5B | C4B | O4B | 62.7° | 61.5° |
| O5B | C5B | C4B | C3B | 53.2° | 176.9° |
| O5B | C5B | C4B | H4A' | 173.9° | 60.9° |
| C4B | C5B | H5A1 | H5A2 | 117.4° | 120.0° |
| C5B | C4B | O4B | C3B | 122.5° | 119.0° |
| C5B | C4B | O4B | H4A' | 117.0° | 122.3° |
| C5B | C4B | C3B | H4A' | 117.1° | 122.2° |
| C5B | C4B | O4B | C1B | 167.8° | 159.4° |
| C5B | C4B | C3B | O3B | 110.9° | 98.4° |
| C5B | C4B | C3B | C2B | 138.7° | 143.0° |
| C5B | C4B | C3B | H3A' | 13.2° | 24.2° |
| H5A1 | C5B | C4B | O4B | 172.0° | 178.5° |
| H5A1 | C5B | C4B | C3B | 72.0° | 63.1° |
| H5A1 | C5B | C4B | H4A' | 48.6° | 59.1° |
| H5A2 | C5B | C4B | O4B | 62.6° | 58.5° |
| H5A2 | C5B | C4B | C3B | 178.5° | 56.9° |
| H5A2 | C5B | C4B | H4A' | 60.8° | 179.1° |
| O4B | C4B | C3B | H4A' | 123.3° | 118.9° |
| O4B | C4B | C3B | O3B | 129.5° | 142.7° |
| O4B | C4B | C3B | C2B | 19.1° | 24.1° |
| O4B | C4B | C3B | H3A' | 106.4° | 94.7° |
| C4B | O4B | C1B | C2B | 54.5° | 40.5° |
| C4B | O4B | C1B | N9A | 176.8° | 159.4° |
| C4B | O4B | C1B | H1A' | 65.3° | 78.5° |
| C3B | C4B | O4B | C1B | 45.4° | 40.5° |
| C4B | C3B | O3B | C2B | 109.2° | 114.7° |
| C4B | C3B | O3B | H3A' | 125.0° | 122.6° |
| C4B | C3B | C2B | H3A' | 124.4° | 118.7° |
| C4B | C3B | O3B | HOA3 | 180.0° | 180.0° |
| C4B | C3B | C2B | O2B | 123.8° | 118.7° |
| C4B | C3B | C2B | C1B | 12.6° | 0.1° |
| C4B | C3B | C2B | H2A' | 113.5° | 118.6° |
| H4A' | C4B | O4B | C1B | 75.1° | 78.3° |
| H4A' | C4B | C3B | O3B | 6.2° | 23.9° |
| H4A' | C4B | C3B | C2B | 104.2° | 94.8° |
| H4A' | C4B | C3B | H3A' | 130.2° | 146.4° |
| O4B | C1B | C2B | C3B | 40.2° | 23.8° |
| O4B | C1B | C2B | O2B | 154.5° | 142.6° |
| O4B | C1B | C2B | N9A | 114.5° | 118.9° |
| O4B | C1B | C2B | H1A' | 126.8° | 118.9° |
| O4B | C1B | C2B | H2A' | 83.4° | 94.7° |
| O4B | C1B | N9A | H1A' | 127.1° | 122.2° |
| O4B | C1B | N9A | C8A | 87.9° | 27.0° |
| O4B | C1B | N9A | C4A | 84.5° | 152.9° |
| O3B | C3B | C2B | H3A' | 123.8° | 122.6° |
| O3B | C3B | C2B | O2B | 11.9° | 0.1° |
| O3B | C3B | C2B | C1B | 99.2° | 118.8° |
| O3B | C3B | C2B | H2A' | 134.6° | 122.7° |
| C2B | C3B | O3B | HOA3 | 70.8° | 65.3° |
| C3B | C2B | O2B | C1B | 108.3° | 114.7° |
| C3B | C2B | O2B | H2A' | 124.9° | 122.7° |
| C3B | C2B | C1B | H2A' | 123.6° | 118.5° |
| C3B | C2B | O2B | HOA2 | 180.0° | 61.5° |
| C3B | C2B | C1B | N9A | 154.7° | 142.8° |
| C3B | C2B | C1B | H1A' | 86.6° | 95.0° |
| H3A' | C3B | O3B | HOA3 | 55.0° | 57.4° |
| H3A' | C3B | C2B | O2B | 111.8° | 122.6° |
| H3A' | C3B | C2B | C1B | 137.0° | 118.6° |
| H3A' | C3B | C2B | H2A' | 10.9° | 0.1° |
| O2B | C2B | C1B | H2A' | 122.1° | 122.8° |
| O2B | C2B | C1B | N9A | 91.0° | 98.5° |
| O2B | C2B | C1B | H1A' | 27.7° | 23.7° |
| C1B | C2B | O2B | HOA2 | 71.7° | 176.2° |
| C2B | C1B | N9A | H1A' | 120.8° | 122.2° |
| C2B | C1B | N9A | C8A | 24.3° | 88.5° |
| C2B | C1B | N9A | C4A | 163.4° | 91.5° |
| H2A' | C2B | O2B | HOA2 | 55.1° | 61.1° |
| H2A' | C2B | C1B | N9A | 31.1° | 24.2° |
| H2A' | C2B | C1B | H1A' | 149.8° | 146.4° |
| C1B | N9A | C8A | C4A | 173.4° | 179.9° |
| C1B | N9A | C8A | N7A | 173.5° | 180.0° |
| C1B | N9A | C8A | H8A | 6.5° | 0.0° |
| C1B | N9A | C4A | C5A | 174.7° | 179.8° |
| C1B | N9A | C4A | N3A | 5.0° | 0.0° |
| H1A' | C1B | N9A | C8A | 145.1° | 149.2° |
| H1A' | C1B | N9A | C4A | 42.6° | 30.7° |
| N9A | C8A | N7A | H8A | 180.0° | 180.0° |
| N9A | C8A | N7A | C5A | 0.7° | 0.2° |
| C8A | N9A | C4A | C5A | 0.8° | 0.3° |
| C8A | N9A | C4A | N3A | 178.9° | 179.9° |
| C4A | N9A | C8A | N7A | 0.1° | 0.0° |
| C4A | N9A | C8A | H8A | 179.9° | 179.9° |
| N9A | C4A | C5A | N7A | 1.3° | 0.4° |
| N9A | C4A | C5A | C6A | 179.8° | 179.7° |
| N9A | C4A | C5A | N3A | 179.7° | 179.9° |
| N9A | C4A | N3A | C2A | 179.2° | 180.0° |
| C8A | N7A | C5A | C6A | 180.0° | 179.5° |
| C8A | N7A | C5A | C4A | 1.2° | 0.4° |
| H8A | C8A | N7A | C5A | 179.3° | 179.8° |
| N7A | C5A | C6A | N6A | 1.6° | 0.7° |
| N7A | C5A | C6A | C4A | 178.7° | 179.1° |
| N7A | C5A | C6A | N1A | 179.5° | 179.5° |
| N7A | C5A | C4A | N3A | 178.4° | 179.8° |
| N6A | C6A | C5A | N1A | 178.9° | 179.8° |
| C6A | N6A | H6A1 | H6A2 | 125.2° | 179.7° |
| N6A | C6A | C5A | C4A | 179.7° | 179.8° |
| N6A | C6A | N1A | C2A | 179.6° | 180.0° |
| C5A | C6A | N6A | H6A1 | 180.0° | 179.8° |
| C5A | C6A | N6A | H6A2 | 54.7° | 0.5° |
| C6A | C5A | C4A | N3A | 0.5° | 0.4° |
| C5A | C6A | N1A | C2A | 1.4° | 0.2° |
| N1A | C6A | N6A | H6A1 | 1.2° | 0.0° |
| N1A | C6A | N6A | H6A2 | 124.1° | 179.7° |
| N1A | C6A | C5A | C4A | 0.8° | 0.4° |
| C6A | N1A | C2A | N3A | 0.9° | 0.1° |
| C6A | N1A | C2A | H2A | 179.1° | 180.0° |
| C5A | C4A | N3A | C2A | 1.1° | 0.2° |
| C4A | N3A | C2A | N1A | 0.4° | 0.1° |
| C4A | N3A | C2A | H2A | 179.6° | 180.0° |
| N3A | C2A | N1A | H2A | 180.0° | 180.0° |
