Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.47Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O3P | sing | 1.68Å | 1.62Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 1.01Å | 1.02Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | N3' | sing | 1.47Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| N3' | HN31 | sing | 1.01Å | 1.02Å | |
| N3' | HN32 | sing | 1.01Å | 1.02Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | |
| C5 | C5A | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.12Å | |
| C5A | H5A3 | sing | 1.09Å | 1.12Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 119.9° | 109.4° |
| O1P | P | O3P | 104.3° | 109.4° |
| O1P | P | O5' | 103.4° | 109.5° |
| O2P | P | O3P | 114.2° | 109.5° |
| O2P | P | O5' | 107.8° | 109.5° |
| P | O2P | H2P | 119.9° | 106.8° |
| O3P | P | O5' | 106.0° | 109.5° |
| P | O3P | H3P | 104.3° | 106.7° |
| P | O5' | C5' | 121.8° | 106.8° |
| O5' | C5' | C4' | 109.8° | 109.5° |
| O5' | C5' | H5'1 | 112.1° | 109.5° |
| O5' | C5' | H5'2 | 112.1° | 109.5° |
| C4' | C5' | H5'1 | 112.1° | 109.4° |
| C4' | C5' | H5'2 | 112.1° | 109.5° |
| C5' | C4' | O4' | 110.3° | 110.7° |
| C5' | C4' | C3' | 115.4° | 110.6° |
| C5' | C4' | H4' | 102.8° | 110.5° |
| H5'1 | C5' | H5'2 | 98.4° | 109.5° |
| O4' | C4' | C3' | 102.2° | 103.6° |
| O4' | C4' | H4' | 115.9° | 110.6° |
| C4' | O4' | C1' | 108.6° | 106.9° |
| C3' | C4' | H4' | 110.8° | 110.6° |
| C4' | C3' | N3' | 113.1° | 110.9° |
| C4' | C3' | C2' | 100.0° | 102.1° |
| C4' | C3' | H3' | 114.1° | 110.9° |
| O4' | C1' | C2' | 106.4° | 107.4° |
| O4' | C1' | N1 | 107.7° | 109.9° |
| O4' | C1' | H1' | 114.2° | 109.9° |
| N3' | C3' | C2' | 111.6° | 110.9° |
| N3' | C3' | H3' | 102.9° | 110.8° |
| C3' | N3' | HN31 | 113.1° | 106.7° |
| C3' | N3' | HN32 | 110.9° | 106.7° |
| C2' | C3' | H3' | 115.5° | 110.9° |
| C3' | C2' | C1' | 100.3° | 104.2° |
| C3' | C2' | H2'1 | 115.7° | 110.5° |
| C3' | C2' | H2'2 | 115.7° | 110.5° |
| HN31 | N3' | HN32 | 110.8° | 106.7° |
| C1' | C2' | H2'1 | 115.8° | 110.5° |
| C1' | C2' | H2'2 | 115.8° | 110.5° |
| C2' | C1' | N1 | 113.7° | 109.9° |
| C2' | C1' | H1' | 108.1° | 109.9° |
| H2'1 | C2' | H2'2 | 94.7° | 110.5° |
| N1 | C1' | H1' | 106.9° | 109.9° |
| C1' | N1 | C2 | 118.1° | 119.7° |
| C1' | N1 | C6 | 120.7° | 119.7° |
| C2 | N1 | C6 | 121.2° | 120.6° |
| N1 | C2 | O2 | 122.9° | 119.5° |
| N1 | C2 | N3 | 114.8° | 121.0° |
| N1 | C6 | C5 | 123.3° | 119.7° |
| N1 | C6 | H6 | 119.5° | 120.2° |
| O2 | C2 | N3 | 122.4° | 119.5° |
| C2 | N3 | C4 | 127.2° | 120.3° |
| C2 | N3 | H3 | 116.7° | 119.9° |
| C4 | N3 | H3 | 116.1° | 119.8° |
| N3 | C4 | O4 | 119.0° | 120.4° |
| N3 | C4 | C5 | 115.1° | 119.4° |
| O4 | C4 | C5 | 125.9° | 120.3° |
| C4 | C5 | C5A | 119.0° | 120.5° |
| C4 | C5 | C6 | 118.3° | 119.1° |
| C5A | C5 | C6 | 122.7° | 120.4° |
| C5 | C5A | H5A1 | 119.0° | 109.5° |
| C5 | C5A | H5A2 | 108.8° | 109.5° |
| C5 | C5A | H5A3 | 108.8° | 109.5° |
| C5 | C6 | H6 | 117.3° | 120.1° |
| H5A1 | C5A | H5A2 | 108.8° | 109.4° |
| H5A1 | C5A | H5A3 | 108.8° | 109.5° |
| H5A2 | C5A | H5A3 | 101.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 124.7° | 119.9° |
| O1P | P | O2P | O5' | 117.7° | 120.0° |
| O1P | P | O3P | O5' | 108.7° | 120.0° |
| O1P | P | O2P | H2P | 179.9° | 180.0° |
| O1P | P | O3P | H3P | 180.0° | 173.7° |
| O1P | P | O5' | C5' | 63.0° | 50.0° |
| O2P | P | O3P | O5' | 118.6° | 120.0° |
| O2P | P | O3P | H3P | 47.3° | 53.8° |
| O2P | P | O5' | C5' | 169.1° | 170.0° |
| O3P | P | O2P | H2P | 55.3° | 60.0° |
| O3P | P | O5' | C5' | 46.4° | 70.0° |
| O5' | P | O2P | H2P | 62.2° | 60.0° |
| O5' | P | O3P | H3P | 71.3° | 66.2° |
| P | O5' | C5' | C4' | 153.8° | 180.0° |
| P | O5' | C5' | H5'1 | 80.9° | 60.0° |
| P | O5' | C5' | H5'2 | 28.5° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
| O5' | C5' | C4' | O4' | 65.1° | 70.7° |
| O5' | C5' | C4' | C3' | 50.0° | 175.0° |
| O5' | C5' | C4' | H4' | 170.8° | 52.1° |
| C4' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
| C5' | C4' | O4' | C3' | 123.2° | 118.6° |
| C5' | C4' | O4' | H4' | 116.2° | 122.8° |
| C5' | C4' | C3' | H4' | 116.3° | 122.8° |
| C5' | C4' | O4' | C1' | 153.2° | 158.5° |
| C5' | C4' | C3' | N3' | 75.7° | 86.1° |
| C5' | C4' | C3' | C2' | 165.5° | 155.7° |
| C5' | C4' | C3' | H3' | 41.5° | 37.5° |
| H5'1 | C5' | C4' | O4' | 169.7° | 169.2° |
| H5'1 | C5' | C4' | C3' | 75.2° | 55.0° |
| H5'1 | C5' | C4' | H4' | 45.6° | 67.9° |
| H5'2 | C5' | C4' | O4' | 60.2° | 49.3° |
| H5'2 | C5' | C4' | C3' | 175.3° | 65.0° |
| H5'2 | C5' | C4' | H4' | 63.9° | 172.2° |
| O4' | C4' | C3' | H4' | 124.0° | 118.5° |
| O4' | C4' | C3' | N3' | 164.6° | 155.2° |
| O4' | C4' | C3' | C2' | 45.8° | 37.0° |
| O4' | C4' | C3' | H3' | 78.2° | 81.2° |
| C4' | O4' | C1' | C2' | 2.3° | 26.4° |
| C4' | O4' | C1' | N1 | 124.6° | 145.9° |
| C4' | O4' | C1' | H1' | 116.9° | 93.1° |
| C3' | C4' | O4' | C1' | 30.0° | 39.9° |
| C4' | C3' | N3' | C2' | 111.8° | 112.7° |
| C4' | C3' | N3' | H3' | 123.6° | 123.6° |
| C4' | C3' | C2' | H3' | 122.9° | 118.2° |
| C4' | C3' | N3' | HN31 | 180.0° | 174.1° |
| C4' | C3' | N3' | HN32 | 54.8° | 72.1° |
| C4' | C3' | C2' | C1' | 43.1° | 20.9° |
| C4' | C3' | C2' | H2'1 | 168.4° | 97.8° |
| C4' | C3' | C2' | H2'2 | 82.2° | 139.6° |
| H4' | C4' | O4' | C1' | 90.5° | 78.6° |
| H4' | C4' | C3' | N3' | 40.6° | 36.7° |
| H4' | C4' | C3' | C2' | 78.2° | 81.5° |
| H4' | C4' | C3' | H3' | 157.8° | 160.3° |
| O4' | C1' | C2' | C3' | 26.4° | 2.0° |
| O4' | C1' | C2' | N1 | 118.4° | 119.5° |
| O4' | C1' | C2' | H1' | 123.1° | 119.5° |
| O4' | C1' | C2' | H2'1 | 151.6° | 120.6° |
| O4' | C1' | C2' | H2'2 | 98.9° | 116.7° |
| O4' | C1' | N1 | H1' | 123.1° | 121.0° |
| O4' | C1' | N1 | C2 | 155.6° | 53.3° |
| O4' | C1' | N1 | C6 | 24.1° | 126.7° |
| N3' | C3' | C2' | H3' | 117.1° | 123.6° |
| C3' | N3' | HN31 | HN32 | 125.3° | 113.8° |
| N3' | C3' | C2' | C1' | 163.0° | 139.1° |
| N3' | C3' | C2' | H2'1 | 71.7° | 20.4° |
| N3' | C3' | C2' | H2'2 | 37.7° | 102.2° |
| C2' | C3' | N3' | HN31 | 68.1° | 61.4° |
| C2' | C3' | N3' | HN32 | 57.1° | 175.2° |
| C3' | C2' | C1' | H2'1 | 125.3° | 118.7° |
| C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 121.5° | 122.7° |
| C3' | C2' | C1' | N1 | 92.0° | 121.5° |
| C3' | C2' | C1' | H1' | 149.5° | 117.6° |
| H3' | C3' | N3' | HN31 | 56.4° | 62.2° |
| H3' | C3' | N3' | HN32 | 178.4° | 51.5° |
| H3' | C3' | C2' | C1' | 79.9° | 97.3° |
| H3' | C3' | C2' | H2'1 | 45.4° | 144.0° |
| H3' | C3' | C2' | H2'2 | 154.8° | 21.4° |
| C1' | C2' | H2'1 | H2'2 | 121.6° | 122.6° |
| C2' | C1' | N1 | H1' | 119.2° | 121.0° |
| C2' | C1' | N1 | C2 | 86.7° | 64.7° |
| C2' | C1' | N1 | C6 | 93.6° | 115.3° |
| H2'1 | C2' | C1' | N1 | 33.2° | 119.9° |
| H2'1 | C2' | C1' | H1' | 85.3° | 1.1° |
| H2'2 | C2' | C1' | N1 | 142.7° | 2.8° |
| H2'2 | C2' | C1' | H1' | 24.2° | 123.7° |
| C1' | N1 | C2 | C6 | 179.7° | 179.9° |
| C1' | N1 | C2 | O2 | 3.5° | 0.0° |
| C1' | N1 | C2 | N3 | 177.3° | 180.0° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | H6 | 1.5° | 0.0° |
| H1' | C1' | N1 | C2 | 32.5° | 174.3° |
| H1' | C1' | N1 | C6 | 147.2° | 5.7° |
| N1 | C2 | O2 | N3 | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 2.1° | 0.2° |
| N1 | C2 | N3 | H3 | 178.0° | 180.0° |
| C2 | N1 | C6 | C5 | 1.2° | 0.0° |
| C2 | N1 | C6 | H6 | 178.8° | 180.0° |
| C6 | N1 | C2 | O2 | 176.8° | 180.0° |
| C6 | N1 | C2 | N3 | 2.4° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.2° |
| N1 | C6 | C5 | C5A | 178.7° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| O2 | C2 | N3 | C4 | 177.1° | 179.8° |
| O2 | C2 | N3 | H3 | 2.8° | 0.0° |
| C2 | N3 | C4 | H3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 179.1° | 180.0° |
| C2 | N3 | C4 | C5 | 0.5° | 0.4° |
| N3 | C4 | O4 | C5 | 179.5° | 179.6° |
| N3 | C4 | C5 | C5A | 178.3° | 179.8° |
| N3 | C4 | C5 | C6 | 0.9° | 0.4° |
| H3 | N3 | C4 | O4 | 0.9° | 0.2° |
| H3 | N3 | C4 | C5 | 179.6° | 179.8° |
| O4 | C4 | C5 | C5A | 1.2° | 0.2° |
| O4 | C4 | C5 | C6 | 179.6° | 180.0° |
| C4 | C5 | C5A | C6 | 179.2° | 179.8° |
| C4 | C5 | C5A | H5A1 | 180.0° | 90.2° |
| C4 | C5 | C5A | H5A2 | 54.8° | 29.7° |
| C4 | C5 | C5A | H5A3 | 54.7° | 149.7° |
| C4 | C5 | C6 | H6 | 179.5° | 179.8° |
| C5 | C5A | H5A1 | H5A2 | 125.2° | 120.0° |
| C5 | C5A | H5A1 | H5A3 | 125.3° | 120.1° |
| C5 | C5A | H5A2 | H5A3 | 114.5° | 120.0° |
| C5A | C5 | C6 | H6 | 1.3° | 0.0° |
| C6 | C5 | C5A | H5A1 | 0.8° | 90.0° |
| C6 | C5 | C5A | H5A2 | 124.4° | 150.0° |
| C6 | C5 | C5A | H5A3 | 126.1° | 30.1° |
| H5A1 | C5A | H5A2 | H5A3 | 114.5° | 120.0° |






