ONE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 1.60Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2 | sing | 0.97Å | 0.95Å | |
| O3' | HO3 | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.35Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.41Å | 1.44Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.41Å | 1.44Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 110.1° | 106.8° |
| OP3 | P | OP1 | 110.1° | 109.4° |
| OP3 | P | OP2 | 107.7° | 109.5° |
| OP3 | P | O5' | 102.6° | 109.5° |
| OP1 | P | OP2 | 119.6° | 109.5° |
| OP1 | P | O5' | 109.5° | 109.5° |
| OP2 | P | O5' | 105.9° | 109.5° |
| P | OP2 | HOP2 | 107.8° | 106.9° |
| P | O5' | C5' | 118.9° | 106.9° |
| O5' | C5' | C4' | 111.4° | 109.5° |
| O5' | C5' | H5'' | 111.5° | 109.5° |
| O5' | C5' | H5' | 111.5° | 109.4° |
| C4' | C5' | H5'' | 111.5° | 109.5° |
| C4' | C5' | H5' | 111.5° | 109.5° |
| C5' | C4' | O4' | 110.0° | 110.3° |
| C5' | C4' | C3' | 112.2° | 110.7° |
| C5' | C4' | H4' | 106.4° | 110.3° |
| H5'' | C5' | H5' | 98.9° | 109.5° |
| O4' | C4' | C3' | 106.5° | 104.8° |
| O4' | C4' | H4' | 112.1° | 110.4° |
| C4' | O4' | C1' | 109.7° | 105.3° |
| C3' | C4' | H4' | 109.8° | 110.3° |
| C4' | C3' | C2' | 102.2° | 104.2° |
| C4' | C3' | O3' | 109.3° | 110.5° |
| C4' | C3' | H3' | 116.2° | 110.5° |
| O4' | C1' | C2' | 106.3° | 104.8° |
| O4' | C1' | N1 | 107.6° | 110.5° |
| O4' | C1' | H1' | 114.8° | 110.4° |
| C2' | C3' | O3' | 114.7° | 110.5° |
| C2' | C3' | H3' | 110.9° | 110.5° |
| C3' | C2' | O2' | 115.3° | 110.5° |
| C3' | C2' | C1' | 101.7° | 104.1° |
| C3' | C2' | H2' | 112.3° | 110.5° |
| O3' | C3' | H3' | 104.0° | 110.5° |
| C3' | O3' | HO3 | 109.3° | 106.8° |
| O2' | C2' | C1' | 113.1° | 110.7° |
| O2' | C2' | H2' | 100.6° | 110.4° |
| C2' | O2' | HO2 | 115.2° | 106.8° |
| C1' | C2' | H2' | 114.4° | 110.5° |
| C2' | C1' | N1 | 114.8° | 110.4° |
| C2' | C1' | H1' | 107.5° | 110.4° |
| N1 | C1' | H1' | 106.2° | 110.3° |
| C1' | N1 | C6 | 120.9° | 119.3° |
| C1' | N1 | C2 | 119.6° | 119.2° |
| C6 | N1 | C2 | 119.5° | 121.5° |
| N1 | C6 | C5 | 121.9° | 120.7° |
| N1 | C6 | H6 | 120.4° | 119.7° |
| N1 | C2 | C3 | 122.0° | 120.7° |
| N1 | C2 | H2 | 120.2° | 119.7° |
| C5 | C6 | H6 | 117.7° | 119.6° |
| C6 | C5 | C4 | 120.4° | 119.3° |
| C6 | C5 | H5 | 116.0° | 120.4° |
| C3 | C2 | H2 | 117.8° | 119.7° |
| C2 | C3 | C4 | 120.4° | 119.3° |
| C2 | C3 | H3 | 115.9° | 120.4° |
| C4 | C3 | H3 | 123.6° | 120.4° |
| C3 | C4 | O4 | 121.9° | 120.7° |
| C3 | C4 | C5 | 115.8° | 118.6° |
| O4 | C4 | C5 | 122.3° | 120.7° |
| C4 | C5 | H5 | 123.6° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 125.6° | 120.0° |
| OP3 | P | OP1 | O5' | 112.1° | 120.0° |
| OP3 | P | OP2 | O5' | 109.2° | 120.1° |
| OP3 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP3 | P | O5' | C5' | 36.8° | 180.0° |
| HOP3 | OP3 | P | OP1 | 180.0° | 60.0° |
| HOP3 | OP3 | P | OP2 | 47.9° | 59.9° |
| HOP3 | OP3 | P | O5' | 63.6° | 180.0° |
| OP1 | P | OP2 | O5' | 124.1° | 120.0° |
| OP1 | P | OP2 | HOP2 | 53.3° | 180.0° |
| OP1 | P | O5' | C5' | 153.7° | 60.0° |
| OP2 | P | O5' | C5' | 76.1° | 60.0° |
| O5' | P | OP2 | HOP2 | 70.8° | 60.0° |
| P | O5' | C5' | C4' | 172.3° | 180.0° |
| P | O5' | C5' | H5'' | 62.5° | 60.0° |
| P | O5' | C5' | H5' | 47.0° | 60.0° |
| O5' | C5' | C4' | H5'' | 125.2° | 120.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | H5'' | H5' | 117.4° | 119.9° |
| O5' | C5' | C4' | O4' | 48.5° | 61.4° |
| O5' | C5' | C4' | C3' | 166.8° | 176.9° |
| O5' | C5' | C4' | H4' | 73.1° | 60.8° |
| C4' | C5' | H5'' | H5' | 117.4° | 120.0° |
| C5' | C4' | O4' | C3' | 121.8° | 119.2° |
| C5' | C4' | O4' | H4' | 118.1° | 122.1° |
| C5' | C4' | C3' | H4' | 118.1° | 122.3° |
| C5' | C4' | O4' | C1' | 113.6° | 159.5° |
| C5' | C4' | C3' | C2' | 92.3° | 142.7° |
| C5' | C4' | C3' | O3' | 145.8° | 98.5° |
| C5' | C4' | C3' | H3' | 28.5° | 24.0° |
| H5'' | C5' | C4' | O4' | 76.8° | 178.6° |
| H5'' | C5' | C4' | C3' | 41.6° | 63.1° |
| H5'' | C5' | C4' | H4' | 161.7° | 59.2° |
| H5' | C5' | C4' | O4' | 173.7° | 58.6° |
| H5' | C5' | C4' | C3' | 67.9° | 56.9° |
| H5' | C5' | C4' | H4' | 52.2° | 179.2° |
| O4' | C4' | C3' | H4' | 121.5° | 118.8° |
| O4' | C4' | C3' | C2' | 28.1° | 23.8° |
| O4' | C4' | C3' | O3' | 93.8° | 142.5° |
| O4' | C4' | C3' | H3' | 148.9° | 94.9° |
| C4' | O4' | C1' | C2' | 15.5° | 40.4° |
| C4' | O4' | C1' | N1 | 138.9° | 159.3° |
| C4' | O4' | C1' | H1' | 103.2° | 78.4° |
| C3' | C4' | O4' | C1' | 8.2° | 40.3° |
| C4' | C3' | C2' | O3' | 118.2° | 118.7° |
| C4' | C3' | C2' | H3' | 124.4° | 118.7° |
| C4' | C3' | O3' | H3' | 124.7° | 122.6° |
| C4' | C3' | C2' | O2' | 158.8° | 118.9° |
| C4' | C3' | C2' | C1' | 36.0° | 0.1° |
| C4' | C3' | C2' | H2' | 86.8° | 118.5° |
| C4' | C3' | O3' | HO3 | 180.0° | 178.1° |
| H4' | C4' | O4' | C1' | 128.3° | 78.4° |
| H4' | C4' | C3' | C2' | 149.7° | 95.0° |
| H4' | C4' | C3' | O3' | 27.7° | 23.8° |
| H4' | C4' | C3' | H3' | 89.5° | 146.3° |
| O4' | C1' | C2' | C3' | 32.5° | 24.0° |
| O4' | C1' | C2' | O2' | 156.7° | 142.7° |
| O4' | C1' | C2' | N1 | 118.7° | 119.0° |
| O4' | C1' | C2' | H1' | 123.4° | 118.8° |
| O4' | C1' | C2' | H2' | 88.9° | 94.7° |
| O4' | C1' | N1 | H1' | 123.4° | 122.3° |
| O4' | C1' | N1 | C6 | 21.2° | 124.5° |
| O4' | C1' | N1 | C2 | 159.4° | 55.2° |
| C2' | C3' | O3' | H3' | 121.3° | 122.6° |
| C3' | C2' | O2' | C1' | 116.4° | 114.7° |
| C3' | C2' | O2' | H2' | 121.1° | 122.6° |
| C3' | C2' | C1' | H2' | 121.4° | 118.7° |
| C3' | C2' | O2' | HO2 | 180.0° | 61.4° |
| C2' | C3' | O3' | HO3 | 65.9° | 63.3° |
| C3' | C2' | C1' | N1 | 151.2° | 143.0° |
| C3' | C2' | C1' | H1' | 90.9° | 94.8° |
| O3' | C3' | C2' | O2' | 40.6° | 0.2° |
| O3' | C3' | C2' | C1' | 82.1° | 118.7° |
| O3' | C3' | C2' | H2' | 155.1° | 122.7° |
| H3' | C3' | C2' | O2' | 76.8° | 122.4° |
| H3' | C3' | C2' | C1' | 160.4° | 118.8° |
| H3' | C3' | C2' | H2' | 37.6° | 0.1° |
| H3' | C3' | O3' | HO3 | 55.3° | 59.3° |
| O2' | C2' | C1' | H2' | 114.4° | 122.6° |
| O2' | C2' | C1' | N1 | 84.6° | 98.3° |
| O2' | C2' | C1' | H1' | 33.3° | 23.9° |
| C1' | C2' | O2' | HO2 | 63.5° | 176.2° |
| C2' | C1' | N1 | H1' | 118.6° | 122.2° |
| C2' | C1' | N1 | C6 | 96.8° | 120.0° |
| C2' | C1' | N1 | C2 | 82.6° | 60.3° |
| H2' | C2' | O2' | HO2 | 59.0° | 61.2° |
| H2' | C2' | C1' | N1 | 29.8° | 24.3° |
| H2' | C2' | C1' | H1' | 147.7° | 146.5° |
| C1' | N1 | C6 | C2 | 179.4° | 179.7° |
| C1' | N1 | C6 | C5 | 179.8° | 179.9° |
| C1' | N1 | C6 | H6 | 0.1° | 0.0° |
| C1' | N1 | C2 | C3 | 179.8° | 179.8° |
| C1' | N1 | C2 | H2 | 0.1° | 0.3° |
| H1' | C1' | N1 | C6 | 144.5° | 2.2° |
| H1' | C1' | N1 | C2 | 36.1° | 177.5° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | N1 | C2 | C3 | 0.4° | 0.5° |
| C6 | N1 | C2 | H2 | 179.5° | 179.9° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | H5 | 179.7° | 179.9° |
| C2 | N1 | C6 | C5 | 0.4° | 0.3° |
| C2 | N1 | C6 | H6 | 179.6° | 179.6° |
| N1 | C2 | C3 | H2 | 180.0° | 179.5° |
| N1 | C2 | C3 | C4 | 0.3° | 0.5° |
| N1 | C2 | C3 | H3 | 179.7° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | O4 | 177.9° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| H6 | C6 | C5 | C4 | 179.7° | 179.9° |
| H6 | C6 | C5 | H5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | O4 | 177.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| H2 | C2 | C3 | H3 | 0.3° | 0.2° |
| C3 | C4 | O4 | C5 | 177.6° | 179.9° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| H3 | C3 | C4 | O4 | 2.2° | 0.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| O4 | C4 | C5 | H5 | 2.1° | 0.1° |
