H2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.34Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.0° | 109.4° |
| OP1 | P | OP3 | 105.9° | 109.5° |
| OP1 | P | O5' | 106.5° | 109.5° |
| OP2 | P | OP3 | 111.2° | 109.4° |
| OP2 | P | O5' | 110.4° | 109.4° |
| P | OP2 | HOP2 | 119.0° | 106.7° |
| OP3 | P | O5' | 102.5° | 109.5° |
| P | OP3 | HOP3 | 105.9° | 106.8° |
| P | O5' | C5' | 119.3° | 106.8° |
| O5' | C5' | C4' | 111.2° | 109.6° |
| O5' | C5' | H5' | 111.5° | 109.5° |
| O5' | C5' | H5'' | 111.5° | 109.5° |
| C4' | C5' | H5' | 111.6° | 109.5° |
| C4' | C5' | H5'' | 111.6° | 109.4° |
| C5' | C4' | O4' | 108.7° | 110.4° |
| C5' | C4' | C3' | 115.5° | 110.7° |
| C5' | C4' | H4' | 104.1° | 110.3° |
| H5' | C5' | H5'' | 98.8° | 109.5° |
| O4' | C4' | C3' | 103.0° | 104.7° |
| O4' | C4' | H4' | 116.4° | 110.3° |
| C4' | O4' | C1' | 109.3° | 105.4° |
| C3' | C4' | H4' | 109.6° | 110.2° |
| C4' | C3' | O3' | 111.4° | 110.5° |
| C4' | C3' | C2' | 101.6° | 104.2° |
| C4' | C3' | H3' | 117.5° | 110.5° |
| O4' | C1' | C2' | 107.2° | 104.8° |
| O4' | C1' | N1 | 107.4° | 110.5° |
| O4' | C1' | H1' | 114.1° | 110.4° |
| O3' | C3' | C2' | 119.5° | 110.5° |
| O3' | C3' | H3' | 98.8° | 110.5° |
| C3' | O3' | HO3' | 111.3° | 106.9° |
| C2' | C3' | H3' | 109.0° | 110.5° |
| C3' | C2' | C1' | 102.3° | 104.1° |
| C3' | C2' | O2' | 115.9° | 110.5° |
| C3' | C2' | H2' | 111.8° | 110.5° |
| C2' | C1' | N1 | 114.3° | 110.4° |
| C2' | C1' | H1' | 107.1° | 110.3° |
| C1' | C2' | O2' | 113.9° | 110.7° |
| C1' | C2' | H2' | 113.9° | 110.5° |
| N1 | C1' | H1' | 106.9° | 110.4° |
| C1' | N1 | C2 | 116.8° | 119.6° |
| C1' | N1 | C6 | 121.2° | 119.5° |
| O2' | C2' | H2' | 99.7° | 110.4° |
| C2' | O2' | HO2' | 115.8° | 106.9° |
| C2 | N1 | C6 | 121.9° | 120.9° |
| N1 | C2 | O2 | 122.4° | 119.2° |
| N1 | C2 | N3 | 116.1° | 121.7° |
| N1 | C6 | C5 | 112.2° | 109.5° |
| N1 | C6 | H61 | 111.2° | 109.5° |
| N1 | C6 | H62 | 111.2° | 109.5° |
| O2 | C2 | N3 | 121.5° | 119.2° |
| C2 | N3 | C4 | 128.2° | 120.9° |
| C2 | N3 | HN3 | 115.6° | 119.6° |
| C4 | N3 | HN3 | 116.2° | 119.5° |
| N3 | C4 | O4 | 119.1° | 120.1° |
| N3 | C4 | C5 | 114.8° | 120.0° |
| O4 | C4 | C5 | 125.6° | 120.0° |
| C4 | C5 | C6 | 113.7° | 109.2° |
| C4 | C5 | H51 | 110.7° | 109.6° |
| C4 | C5 | H52 | 110.7° | 109.5° |
| C6 | C5 | H51 | 110.7° | 109.5° |
| C6 | C5 | H52 | 110.6° | 109.5° |
| C5 | C6 | H61 | 111.2° | 109.4° |
| C5 | C6 | H62 | 111.2° | 109.5° |
| H51 | C5 | H52 | 99.6° | 109.5° |
| H61 | C6 | H62 | 99.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 123.4° | 120.0° |
| OP1 | P | OP2 | O5' | 123.6° | 120.0° |
| OP1 | P | OP3 | O5' | 111.4° | 120.1° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 50.2° | 60.0° |
| OP2 | P | OP3 | O5' | 117.9° | 119.9° |
| OP2 | P | OP3 | HOP3 | 49.4° | 60.0° |
| OP2 | P | O5' | C5' | 179.3° | 180.0° |
| OP3 | P | OP2 | HOP2 | 56.6° | 60.0° |
| OP3 | P | O5' | C5' | 60.8° | 60.1° |
| O5' | P | OP2 | HOP2 | 56.5° | 180.0° |
| O5' | P | OP3 | HOP3 | 68.6° | 59.9° |
| P | O5' | C5' | C4' | 153.8° | 180.0° |
| P | O5' | C5' | H5' | 28.5° | 60.0° |
| P | O5' | C5' | H5'' | 80.9° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.4° | 120.0° |
| O5' | C5' | C4' | O4' | 62.1° | 61.4° |
| O5' | C5' | C4' | C3' | 53.0° | 176.9° |
| O5' | C5' | C4' | H4' | 173.2° | 60.8° |
| C4' | C5' | H5' | H5'' | 117.5° | 119.9° |
| C5' | C4' | O4' | C3' | 123.0° | 119.2° |
| C5' | C4' | O4' | H4' | 117.0° | 122.2° |
| C5' | C4' | C3' | H4' | 117.2° | 122.4° |
| C5' | C4' | O4' | C1' | 91.1° | 159.5° |
| C5' | C4' | C3' | O3' | 153.8° | 98.6° |
| C5' | C4' | C3' | C2' | 77.8° | 142.8° |
| C5' | C4' | C3' | H3' | 41.0° | 24.0° |
| H5' | C5' | C4' | O4' | 172.6° | 178.5° |
| H5' | C5' | C4' | C3' | 72.2° | 63.1° |
| H5' | C5' | C4' | H4' | 48.0° | 59.3° |
| H5'' | C5' | C4' | O4' | 63.1° | 58.6° |
| H5'' | C5' | C4' | C3' | 178.3° | 56.9° |
| H5'' | C5' | C4' | H4' | 61.5° | 179.2° |
| O4' | C4' | C3' | H4' | 124.5° | 118.7° |
| O4' | C4' | C3' | O3' | 87.9° | 142.5° |
| O4' | C4' | C3' | C2' | 40.5° | 23.8° |
| O4' | C4' | C3' | H3' | 159.3° | 94.9° |
| C4' | O4' | C1' | C2' | 9.7° | 40.4° |
| C4' | O4' | C1' | N1 | 113.5° | 159.3° |
| C4' | O4' | C1' | H1' | 128.1° | 78.3° |
| C3' | C4' | O4' | C1' | 31.9° | 40.3° |
| C4' | C3' | O3' | C2' | 118.0° | 114.8° |
| C4' | C3' | O3' | H3' | 124.2° | 122.6° |
| C4' | C3' | C2' | H3' | 124.7° | 118.7° |
| C4' | C3' | O3' | HO3' | 179.9° | 178.1° |
| C4' | C3' | C2' | C1' | 34.1° | 0.1° |
| C4' | C3' | C2' | O2' | 158.6° | 118.9° |
| C4' | C3' | C2' | H2' | 88.1° | 118.6° |
| H4' | C4' | O4' | C1' | 151.9° | 78.3° |
| H4' | C4' | C3' | O3' | 36.7° | 23.8° |
| H4' | C4' | C3' | C2' | 165.0° | 94.9° |
| H4' | C4' | C3' | H3' | 76.2° | 146.4° |
| O4' | C1' | C2' | C3' | 16.1° | 24.0° |
| O4' | C1' | C2' | N1 | 118.9° | 118.9° |
| O4' | C1' | C2' | H1' | 122.9° | 118.8° |
| O4' | C1' | N1 | H1' | 122.9° | 122.4° |
| O4' | C1' | C2' | O2' | 141.9° | 142.7° |
| O4' | C1' | C2' | H2' | 104.7° | 94.7° |
| O4' | C1' | N1 | C2 | 40.8° | 55.1° |
| O4' | C1' | N1 | C6 | 138.3° | 124.6° |
| O3' | C3' | C2' | H3' | 112.4° | 122.6° |
| O3' | C3' | C2' | C1' | 88.9° | 118.7° |
| O3' | C3' | C2' | O2' | 35.6° | 0.2° |
| O3' | C3' | C2' | H2' | 148.9° | 122.7° |
| C2' | C3' | O3' | HO3' | 62.0° | 63.3° |
| C3' | C2' | C1' | O2' | 125.8° | 118.8° |
| C3' | C2' | C1' | H2' | 120.8° | 118.6° |
| C3' | C2' | C1' | N1 | 134.9° | 142.9° |
| C3' | C2' | C1' | H1' | 106.8° | 94.8° |
| C3' | C2' | O2' | H2' | 120.1° | 122.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| H3' | C3' | O3' | HO3' | 55.7° | 59.3° |
| H3' | C3' | C2' | C1' | 158.8° | 118.7° |
| H3' | C3' | C2' | O2' | 76.7° | 122.4° |
| H3' | C3' | C2' | H2' | 36.6° | 0.1° |
| C2' | C1' | N1 | H1' | 118.4° | 122.2° |
| C1' | C2' | O2' | H2' | 121.6° | 122.7° |
| C1' | C2' | O2' | HO2' | 61.7° | 176.2° |
| C2' | C1' | N1 | C2 | 159.5° | 60.2° |
| C2' | C1' | N1 | C6 | 19.6° | 120.0° |
| N1 | C1' | C2' | O2' | 99.2° | 98.4° |
| N1 | C1' | C2' | H2' | 14.2° | 24.2° |
| C1' | N1 | C2 | C6 | 179.1° | 179.7° |
| C1' | N1 | C2 | O2 | 9.4° | 6.0° |
| C1' | N1 | C2 | N3 | 170.4° | 174.5° |
| C1' | N1 | C6 | C5 | 148.1° | 144.2° |
| C1' | N1 | C6 | H61 | 86.6° | 95.9° |
| C1' | N1 | C6 | H62 | 22.8° | 24.1° |
| H1' | C1' | C2' | O2' | 19.0° | 23.9° |
| H1' | C1' | C2' | H2' | 132.4° | 146.5° |
| H1' | C1' | N1 | C2 | 82.1° | 177.5° |
| H1' | C1' | N1 | C6 | 98.8° | 2.2° |
| H2' | C2' | O2' | HO2' | 59.9° | 61.2° |
| N1 | C2 | O2 | N3 | 179.7° | 179.5° |
| N1 | C2 | N3 | C4 | 2.4° | 12.5° |
| N1 | C2 | N3 | HN3 | 177.6° | 167.7° |
| C2 | N1 | C6 | C5 | 32.8° | 35.6° |
| C2 | N1 | C6 | H61 | 92.4° | 84.4° |
| C2 | N1 | C6 | H62 | 158.1° | 155.6° |
| C6 | N1 | C2 | O2 | 169.7° | 174.3° |
| C6 | N1 | C2 | N3 | 10.5° | 5.2° |
| N1 | C6 | C5 | C4 | 41.8° | 46.7° |
| N1 | C6 | C5 | H61 | 125.3° | 120.0° |
| N1 | C6 | C5 | H62 | 125.3° | 120.0° |
| N1 | C6 | C5 | H51 | 83.5° | 166.6° |
| N1 | C6 | C5 | H52 | 167.1° | 73.2° |
| N1 | C6 | H61 | H62 | 117.1° | 120.0° |
| O2 | C2 | N3 | C4 | 177.4° | 168.0° |
| O2 | C2 | N3 | HN3 | 2.7° | 11.8° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.1° | 175.8° |
| C2 | N3 | C4 | C5 | 8.9° | 4.2° |
| N3 | C4 | O4 | C5 | 171.1° | 180.0° |
| N3 | C4 | C5 | C6 | 31.2° | 34.2° |
| N3 | C4 | C5 | H51 | 94.1° | 154.2° |
| N3 | C4 | C5 | H52 | 156.5° | 85.7° |
| HN3 | N3 | C4 | O4 | 0.9° | 4.4° |
| HN3 | N3 | C4 | C5 | 171.1° | 175.6° |
| O4 | C4 | C5 | C6 | 157.3° | 145.8° |
| O4 | C4 | C5 | H51 | 77.4° | 25.9° |
| O4 | C4 | C5 | H52 | 32.1° | 94.3° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 119.9° |
| C4 | C5 | H51 | H52 | 116.5° | 120.2° |
| C4 | C5 | C6 | H61 | 83.5° | 73.4° |
| C4 | C5 | C6 | H62 | 167.1° | 166.7° |
| C6 | C5 | H51 | H52 | 116.5° | 120.1° |
| C5 | C6 | H61 | H62 | 117.1° | 120.0° |
| H51 | C5 | C6 | H61 | 151.2° | 46.6° |
| H51 | C5 | C6 | H62 | 41.8° | 73.3° |
| H52 | C5 | C6 | H61 | 41.8° | 166.7° |
| H52 | C5 | C6 | H62 | 67.6° | 46.8° |
