UEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3P | sing | 1.61Å | 1.54Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O1P | P | doub | 1.48Å | 1.51Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C1' | C2' | sing | 1.54Å | 1.57Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.34Å | 1.41Å | |
| C6 | N1 | sing | 1.37Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.40Å | |
| C8 | C7 | sing | 1.53Å | 1.64Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C4 | C5 | sing | 1.42Å | 1.38Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O4 | C4 | doub | 1.22Å | 1.26Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O1P | 110.1° | 109.5° |
| O3P | P | O2P | 115.0° | 109.5° |
| O3P | P | O5' | 99.9° | 109.5° |
| O1P | P | O2P | 114.5° | 109.4° |
| O1P | P | O5' | 106.0° | 109.5° |
| O2P | P | O5' | 110.1° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| P | O5' | C5' | 122.2° | 123.0° |
| O5' | C5' | C4' | 107.4° | 109.5° |
| O5' | C5' | H5' | 110.2° | 109.5° |
| O5' | C5' | H5'A | 110.6° | 109.5° |
| C4' | C5' | H5' | 110.1° | 109.4° |
| C4' | C5' | H5'A | 110.6° | 109.4° |
| C5' | C4' | O4' | 107.1° | 110.4° |
| C5' | C4' | C3' | 106.3° | 110.4° |
| C5' | C4' | H4' | 112.9° | 110.3° |
| H5' | C5' | H5'A | 107.9° | 109.5° |
| O4' | C4' | C3' | 109.2° | 104.8° |
| O4' | C4' | H4' | 110.2° | 110.5° |
| C4' | O4' | C1' | 111.1° | 105.2° |
| C3' | C4' | H4' | 110.9° | 110.4° |
| C4' | C3' | C2' | 102.6° | 104.1° |
| C4' | C3' | O3' | 106.9° | 110.5° |
| C4' | C3' | H3' | 115.5° | 110.5° |
| C2' | C3' | O3' | 109.9° | 110.5° |
| C2' | C3' | H3' | 112.8° | 110.6° |
| C3' | C2' | C1' | 104.0° | 104.0° |
| C3' | C2' | O2' | 106.5° | 110.5° |
| C3' | C2' | H2' | 117.0° | 110.5° |
| O3' | C3' | H3' | 108.9° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C1' | C2' | O2' | 115.6° | 110.5° |
| C1' | C2' | H2' | 108.2° | 110.7° |
| C2' | C1' | O4' | 105.8° | 104.8° |
| C2' | C1' | N1 | 113.0° | 110.3° |
| C2' | C1' | H1' | 110.4° | 110.4° |
| O2' | C2' | H2' | 105.9° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 113.9° |
| O4' | C1' | N1 | 111.6° | 110.4° |
| O4' | C1' | H1' | 111.8° | 110.4° |
| N1 | C1' | H1' | 104.4° | 110.4° |
| C1' | N1 | C2 | 118.8° | 119.7° |
| C1' | N1 | C6 | 120.4° | 119.7° |
| C2 | N1 | C6 | 120.7° | 120.6° |
| N1 | C2 | N3 | 118.5° | 120.9° |
| N1 | C2 | O2 | 121.1° | 119.6° |
| N1 | C6 | C7 | 120.7° | 120.2° |
| N1 | C6 | C5 | 120.4° | 119.7° |
| C6 | C7 | C8 | 109.1° | 109.5° |
| C6 | C7 | H7 | 109.6° | 109.5° |
| C6 | C7 | H7A | 109.7° | 109.4° |
| C7 | C6 | C5 | 118.9° | 120.1° |
| C8 | C7 | H7 | 109.6° | 109.5° |
| C8 | C7 | H7A | 109.7° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.4° | 109.4° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.2° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.4° |
| C6 | C5 | C4 | 116.9° | 119.1° |
| C6 | C5 | H5 | 121.6° | 120.4° |
| C4 | C5 | H5 | 121.5° | 120.4° |
| C5 | C4 | O4 | 119.1° | 120.3° |
| C5 | C4 | N3 | 122.2° | 119.4° |
| O4 | C4 | N3 | 118.1° | 120.3° |
| C4 | N3 | C2 | 120.9° | 120.2° |
| C4 | N3 | HN3 | 119.5° | 119.9° |
| C2 | N3 | HN3 | 119.6° | 119.9° |
| N3 | C2 | O2 | 120.3° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 131.3° | 120.0° |
| O3P | P | O1P | O5' | 107.2° | 120.0° |
| O3P | P | O2P | O5' | 111.8° | 120.0° |
| O3P | P | O2P | HO2P | 54.9° | 59.9° |
| O3P | P | O5' | C5' | 164.5° | 65.0° |
| HO3P | O3P | P | O1P | 75.6° | 180.0° |
| HO3P | O3P | P | O2P | 55.4° | 60.1° |
| HO3P | O3P | P | O5' | 173.1° | 60.0° |
| O1P | P | O2P | O5' | 119.3° | 120.0° |
| O1P | P | O2P | HO2P | 176.2° | 60.0° |
| O1P | P | O5' | C5' | 81.1° | 55.0° |
| O2P | P | O5' | C5' | 43.2° | 175.0° |
| O5' | P | O2P | HO2P | 56.9° | 180.0° |
| P | O5' | C5' | C4' | 175.4° | 180.0° |
| P | O5' | C5' | H5' | 55.5° | 60.0° |
| P | O5' | C5' | H5'A | 63.7° | 60.1° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 120.8° | 120.0° |
| O5' | C5' | H5' | H5'A | 120.8° | 120.1° |
| O5' | C5' | C4' | O4' | 165.8° | 69.6° |
| O5' | C5' | C4' | C3' | 77.6° | 175.0° |
| O5' | C5' | C4' | H4' | 44.3° | 52.7° |
| C4' | C5' | H5' | H5'A | 120.9° | 119.9° |
| C5' | C4' | O4' | C3' | 114.7° | 118.9° |
| C5' | C4' | O4' | H4' | 123.2° | 122.2° |
| C5' | C4' | C3' | H4' | 123.1° | 122.2° |
| C5' | C4' | C3' | C2' | 96.2° | 142.8° |
| C5' | C4' | C3' | O3' | 148.3° | 98.5° |
| C5' | C4' | C3' | H3' | 26.9° | 24.0° |
| C5' | C4' | O4' | C1' | 111.4° | 159.4° |
| H5' | C5' | C4' | O4' | 45.8° | 50.4° |
| H5' | C5' | C4' | C3' | 162.4° | 65.0° |
| H5' | C5' | C4' | H4' | 75.7° | 172.7° |
| H5'A | C5' | C4' | O4' | 73.4° | 170.4° |
| H5'A | C5' | C4' | C3' | 43.2° | 55.0° |
| H5'A | C5' | C4' | H4' | 165.1° | 67.3° |
| O4' | C4' | C3' | H4' | 121.7° | 119.0° |
| O4' | C4' | C3' | C2' | 19.0° | 24.0° |
| O4' | C4' | C3' | O3' | 96.5° | 142.6° |
| O4' | C4' | C3' | H3' | 142.1° | 94.8° |
| C4' | O4' | C1' | C2' | 14.0° | 40.5° |
| C4' | O4' | C1' | N1 | 137.3° | 159.3° |
| C4' | O4' | C1' | H1' | 106.2° | 78.3° |
| C4' | C3' | C2' | O3' | 113.4° | 118.7° |
| C4' | C3' | C2' | H3' | 124.9° | 118.7° |
| C4' | C3' | O3' | H3' | 125.4° | 122.6° |
| C4' | C3' | O3' | HO3' | 128.1° | 180.0° |
| C4' | C3' | C2' | C1' | 26.1° | 0.0° |
| C4' | C3' | C2' | O2' | 148.7° | 118.6° |
| C4' | C3' | C2' | H2' | 93.2° | 118.8° |
| C3' | C4' | O4' | C1' | 3.2° | 40.5° |
| H4' | C4' | C3' | C2' | 140.7° | 95.0° |
| H4' | C4' | C3' | O3' | 25.1° | 23.7° |
| H4' | C4' | C3' | H3' | 96.2° | 146.2° |
| H4' | C4' | O4' | C1' | 125.4° | 78.4° |
| C2' | C3' | O3' | H3' | 124.0° | 122.7° |
| C2' | C3' | O3' | HO3' | 121.3° | 65.3° |
| C3' | C2' | C1' | O2' | 116.4° | 118.6° |
| C3' | C2' | C1' | H2' | 125.2° | 118.7° |
| C3' | C2' | O2' | H2' | 125.2° | 122.6° |
| C3' | C2' | O2' | HO2' | 22.8° | 61.5° |
| C3' | C2' | C1' | O4' | 25.3° | 24.0° |
| C3' | C2' | C1' | N1 | 147.7° | 142.8° |
| C3' | C2' | C1' | H1' | 95.8° | 94.9° |
| O3' | C3' | C2' | C1' | 87.2° | 118.7° |
| O3' | C3' | C2' | O2' | 35.3° | 0.0° |
| O3' | C3' | C2' | H2' | 153.4° | 122.5° |
| H3' | C3' | O3' | HO3' | 2.7° | 57.4° |
| H3' | C3' | C2' | C1' | 151.0° | 118.7° |
| H3' | C3' | C2' | O2' | 86.4° | 122.6° |
| H3' | C3' | C2' | H2' | 31.7° | 0.1° |
| C1' | C2' | O2' | H2' | 119.8° | 122.8° |
| C1' | C2' | O2' | HO2' | 92.2° | 176.1° |
| C2' | C1' | O4' | N1 | 123.3° | 118.8° |
| C2' | C1' | O4' | H1' | 120.2° | 118.9° |
| C2' | C1' | N1 | H1' | 120.0° | 122.3° |
| C2' | C1' | N1 | C2 | 57.0° | 62.1° |
| C2' | C1' | N1 | C6 | 119.2° | 118.2° |
| O2' | C2' | C1' | O4' | 141.7° | 142.6° |
| O2' | C2' | C1' | N1 | 95.9° | 98.6° |
| O2' | C2' | C1' | H1' | 20.5° | 23.8° |
| H2' | C2' | O2' | HO2' | 148.0° | 61.1° |
| H2' | C2' | C1' | O4' | 99.8° | 94.7° |
| H2' | C2' | C1' | N1 | 22.5° | 24.1° |
| H2' | C2' | C1' | H1' | 139.0° | 146.5° |
| O4' | C1' | N1 | H1' | 121.0° | 122.3° |
| O4' | C1' | N1 | C2 | 62.1° | 53.3° |
| O4' | C1' | N1 | C6 | 121.8° | 126.4° |
| C1' | N1 | C2 | C6 | 176.2° | 179.7° |
| C1' | N1 | C6 | C7 | 4.2° | 0.0° |
| C1' | N1 | C6 | C5 | 176.9° | 180.0° |
| C1' | N1 | C2 | N3 | 178.2° | 179.7° |
| C1' | N1 | C2 | O2 | 5.1° | 0.3° |
| H1' | C1' | N1 | C2 | 177.0° | 175.6° |
| H1' | C1' | N1 | C6 | 0.8° | 4.1° |
| C2 | N1 | C6 | C7 | 179.7° | 179.7° |
| C2 | N1 | C6 | C5 | 0.8° | 0.3° |
| N1 | C2 | N3 | C4 | 5.1° | 0.6° |
| N1 | C2 | N3 | O2 | 176.8° | 179.5° |
| N1 | C2 | N3 | HN3 | 174.9° | 179.8° |
| N1 | C6 | C7 | C5 | 178.9° | 180.0° |
| N1 | C6 | C7 | C8 | 76.0° | 84.9° |
| N1 | C6 | C7 | H7 | 164.0° | 155.0° |
| N1 | C6 | C7 | H7A | 44.1° | 35.0° |
| N1 | C6 | C5 | C4 | 2.5° | 0.0° |
| N1 | C6 | C5 | H5 | 177.5° | 180.0° |
| C6 | N1 | C2 | N3 | 2.0° | 0.5° |
| C6 | N1 | C2 | O2 | 178.7° | 180.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.1° |
| C6 | C7 | C8 | H7A | 120.2° | 119.9° |
| C6 | C7 | H7 | H7A | 120.2° | 120.0° |
| C6 | C7 | C8 | H8 | 44.0° | 180.0° |
| C6 | C7 | C8 | H8A | 164.1° | 60.0° |
| C6 | C7 | C8 | H8B | 75.9° | 59.9° |
| C7 | C6 | C5 | C4 | 178.5° | 180.0° |
| C7 | C6 | C5 | H5 | 1.5° | 0.0° |
| C8 | C7 | H7 | H7A | 120.2° | 120.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.1° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 102.9° | 95.0° |
| H7 | C7 | C8 | H8 | 75.9° | 60.0° |
| H7 | C7 | C8 | H8A | 44.1° | 60.0° |
| H7 | C7 | C8 | H8B | 164.1° | 180.0° |
| H7 | C7 | C6 | C5 | 17.1° | 25.0° |
| H7A | C7 | C8 | H8 | 164.2° | 60.1° |
| H7A | C7 | C8 | H8A | 75.8° | 179.9° |
| H7A | C7 | C8 | H8B | 44.3° | 60.0° |
| H7A | C7 | C6 | C5 | 136.9° | 145.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | O4 | 176.4° | 180.0° |
| C6 | C5 | C4 | N3 | 5.7° | 0.1° |
| C5 | C4 | O4 | N3 | 171.0° | 180.0° |
| C5 | C4 | N3 | C2 | 7.2° | 0.3° |
| C5 | C4 | N3 | HN3 | 172.8° | 180.0° |
| H5 | C5 | C4 | O4 | 3.6° | 0.0° |
| H5 | C5 | C4 | N3 | 174.3° | 180.0° |
| O4 | C4 | N3 | C2 | 177.9° | 179.7° |
| O4 | C4 | N3 | HN3 | 2.1° | 0.1° |
| C4 | N3 | C2 | HN3 | 180.0° | 179.7° |
| C4 | N3 | C2 | O2 | 178.1° | 180.0° |
| HN3 | N3 | C2 | O2 | 1.9° | 0.3° |
