NRI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.57Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.10Å | |
| C2' | C3' | sing | 1.54Å | 1.51Å | |
| C2' | N1' | sing | 1.49Å | 1.47Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.48Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.47Å | |
| C4' | C6' | sing | 1.54Å | 1.49Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C6' | N1' | sing | 1.49Å | 1.41Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'' | sing | 1.09Å | 1.10Å | |
| N1' | HN1' | sing | 1.01Å | 1.00Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 118.9° | 109.5° |
| O1P | P | O3P | 113.0° | 109.5° |
| O1P | P | O5' | 109.8° | 109.5° |
| O2P | P | O3P | 98.9° | 109.5° |
| O2P | P | O5' | 109.8° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O3P | P | O5' | 105.4° | 109.4° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| P | O5' | C5' | 145.7° | 123.0° |
| O5' | C5' | C4' | 146.3° | 109.5° |
| O5' | C5' | H5' | 98.6° | 109.5° |
| O5' | C5' | H5'' | 91.2° | 109.5° |
| C3' | C2' | N1' | 104.9° | 104.6° |
| C3' | C2' | H2' | 111.0° | 110.4° |
| C3' | C2' | H2'' | 112.0° | 110.4° |
| C2' | C3' | C4' | 104.1° | 105.1° |
| C2' | C3' | O3' | 90.6° | 110.3° |
| C2' | C3' | H3' | 127.6° | 110.3° |
| N1' | C2' | H2' | 111.0° | 110.4° |
| N1' | C2' | H2'' | 112.0° | 110.5° |
| C2' | N1' | C6' | 113.8° | 104.3° |
| C2' | N1' | HN1' | 108.1° | 111.0° |
| H2' | C2' | H2'' | 106.0° | 110.5° |
| C4' | C5' | H5' | 98.6° | 109.5° |
| C4' | C5' | H5'' | 91.2° | 109.5° |
| C5' | C4' | C3' | 119.1° | 110.3° |
| C5' | C4' | C6' | 110.5° | 110.3° |
| C5' | C4' | H4' | 101.9° | 110.3° |
| H5' | C5' | H5'' | 144.7° | 109.4° |
| C3' | C4' | C6' | 110.6° | 105.1° |
| C3' | C4' | H4' | 101.8° | 110.3° |
| C4' | C3' | O3' | 120.0° | 110.3° |
| C4' | C3' | H3' | 102.1° | 110.3° |
| C6' | C4' | H4' | 112.2° | 110.4° |
| C4' | C6' | N1' | 103.1° | 104.6° |
| C4' | C6' | H6' | 111.7° | 110.4° |
| C4' | C6' | H6'' | 113.0° | 110.4° |
| O3' | C3' | H3' | 113.7° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| N1' | C6' | H6' | 111.7° | 110.4° |
| N1' | C6' | H6'' | 113.0° | 110.4° |
| C6' | N1' | HN1' | 108.1° | 111.0° |
| H6' | C6' | H6'' | 104.7° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 122.5° | 120.0° |
| O1P | P | O2P | O5' | 127.6° | 120.0° |
| O1P | P | O3P | O5' | 119.8° | 120.0° |
| O1P | P | O2P | HOP2 | 95.7° | 180.0° |
| O1P | P | O3P | HOP3 | 19.6° | 60.0° |
| O1P | P | O5' | C5' | 155.7° | 55.0° |
| O2P | P | O3P | O5' | 113.4° | 120.0° |
| O2P | P | O3P | HOP3 | 107.1° | 60.0° |
| O2P | P | O5' | C5' | 71.8° | 65.0° |
| O3P | P | O2P | HOP2 | 141.8° | 60.0° |
| O3P | P | O5' | C5' | 33.8° | 175.0° |
| O5' | P | O2P | HOP2 | 31.8° | 60.0° |
| O5' | P | O3P | HOP3 | 139.4° | 180.0° |
| P | O5' | C5' | C4' | 167.3° | 180.0° |
| P | O5' | C5' | H5' | 72.7° | 60.0° |
| P | O5' | C5' | H5'' | 73.3° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 94.1° | 120.0° |
| O5' | C5' | H5' | H5'' | 104.5° | 120.0° |
| O5' | C5' | C4' | C3' | 89.4° | 175.0° |
| O5' | C5' | C4' | C6' | 40.2° | 69.4° |
| O5' | C5' | C4' | H4' | 159.6° | 52.8° |
| C3' | C2' | N1' | H2' | 120.0° | 118.7° |
| C3' | C2' | N1' | H2'' | 121.7° | 118.8° |
| C3' | C2' | H2' | H2'' | 121.8° | 122.4° |
| C2' | C3' | C4' | C5' | 110.6° | 118.9° |
| C2' | C3' | C4' | O3' | 99.0° | 118.9° |
| C2' | C3' | C4' | H3' | 134.2° | 118.9° |
| C2' | C3' | C4' | C6' | 19.0° | 0.0° |
| C2' | C3' | C4' | H4' | 138.4° | 119.0° |
| C2' | C3' | O3' | H3' | 132.1° | 122.2° |
| C3' | C2' | N1' | C6' | 0.8° | 39.5° |
| C3' | C2' | N1' | HN1' | 120.8° | 159.0° |
| C2' | C3' | O3' | HO3' | 141.6° | 61.4° |
| N1' | C2' | H2' | H2'' | 121.9° | 122.5° |
| N1' | C2' | C3' | C4' | 11.8° | 23.8° |
| C2' | N1' | C6' | C4' | 10.4° | 39.5° |
| N1' | C2' | C3' | O3' | 109.4° | 95.1° |
| N1' | C2' | C3' | H3' | 129.6° | 142.7° |
| C2' | N1' | C6' | HN1' | 120.0° | 119.6° |
| C2' | N1' | C6' | H6' | 109.6° | 158.3° |
| C2' | N1' | C6' | H6'' | 132.8° | 79.3° |
| H2' | C2' | C3' | C4' | 108.2° | 94.9° |
| H2' | C2' | C3' | O3' | 130.6° | 146.2° |
| H2' | C2' | C3' | H3' | 9.6° | 24.0° |
| H2' | C2' | N1' | C6' | 119.2° | 79.2° |
| H2' | C2' | N1' | HN1' | 0.8° | 40.3° |
| H2'' | C2' | C3' | C4' | 133.5° | 142.7° |
| H2'' | C2' | C3' | O3' | 12.3° | 23.7° |
| H2'' | C2' | C3' | H3' | 108.7° | 98.5° |
| H2'' | C2' | N1' | C6' | 122.5° | 158.3° |
| H2'' | C2' | N1' | HN1' | 117.5° | 82.2° |
| C4' | C5' | H5' | H5'' | 104.5° | 119.9° |
| C5' | C4' | C3' | C6' | 129.6° | 118.9° |
| C5' | C4' | C3' | H4' | 111.0° | 122.1° |
| C5' | C4' | C6' | H4' | 113.0° | 122.1° |
| C5' | C4' | C3' | O3' | 150.3° | 122.2° |
| C5' | C4' | C3' | H3' | 23.6° | 0.0° |
| C5' | C4' | C6' | N1' | 115.7° | 142.7° |
| C5' | C4' | C6' | H6' | 124.3° | 98.5° |
| C5' | C4' | C6' | H6'' | 6.6° | 24.0° |
| H5' | C5' | C4' | C3' | 30.6° | 65.0° |
| H5' | C5' | C4' | C6' | 160.2° | 50.7° |
| H5' | C5' | C4' | H4' | 80.4° | 172.9° |
| H5'' | C5' | C4' | C3' | 176.5° | 55.0° |
| H5'' | C5' | C4' | C6' | 53.8° | 170.6° |
| H5'' | C5' | C4' | H4' | 65.6° | 67.2° |
| C3' | C4' | C6' | H4' | 113.0° | 119.0° |
| C4' | C3' | O3' | H3' | 121.1° | 122.2° |
| C3' | C4' | C6' | N1' | 18.4° | 23.8° |
| C3' | C4' | C6' | H6' | 101.6° | 142.6° |
| C3' | C4' | C6' | H6'' | 140.7° | 94.9° |
| C4' | C3' | O3' | HO3' | 111.6° | 177.1° |
| C6' | C4' | C3' | O3' | 80.0° | 118.9° |
| C6' | C4' | C3' | H3' | 153.2° | 118.9° |
| C4' | C6' | N1' | H6' | 120.0° | 118.8° |
| C4' | C6' | N1' | H6'' | 122.3° | 118.8° |
| C4' | C6' | H6' | H6'' | 122.6° | 122.5° |
| C4' | C6' | N1' | HN1' | 109.5° | 159.1° |
| H4' | C4' | C3' | O3' | 39.4° | 0.1° |
| H4' | C4' | C3' | H3' | 87.4° | 122.1° |
| H4' | C4' | C6' | N1' | 131.3° | 95.1° |
| H4' | C4' | C6' | H6' | 11.3° | 23.6° |
| H4' | C4' | C6' | H6'' | 106.4° | 146.2° |
| H3' | C3' | O3' | HO3' | 9.5° | 60.7° |
| N1' | C6' | H6' | H6'' | 122.6° | 122.4° |
| H6' | C6' | N1' | HN1' | 130.5° | 82.1° |
| H6'' | C6' | N1' | HN1' | 12.8° | 40.3° |
