Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.62Å | 1.60Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | OP1 | doub | 1.50Å | 1.53Å | |
| P | O5' | sing | 1.62Å | 1.54Å | |
| P | OP2 | sing | 1.62Å | 1.50Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.46Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.52Å | 1.54Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.39Å | |
| C4' | C3' | sing | 1.52Å | 1.58Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.52Å | |
| C1' | O1' | sing | 1.42Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | C2' | sing | 1.52Å | 1.54Å | |
| O1' | HO1' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.10Å | 1.10Å | |
| C2' | C3' | sing | 1.51Å | 1.53Å | |
| C3' | O3' | sing | 1.41Å | 1.44Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 109.5° | 119.0° |
| OP3 | P | OP1 | 109.3° | 115.0° |
| OP3 | P | O5' | 96.7° | 102.9° |
| OP3 | P | OP2 | 107.0° | 103.3° |
| OP1 | P | O5' | 105.9° | 115.0° |
| OP1 | P | OP2 | 119.3° | 115.3° |
| O5' | P | OP2 | 116.2° | 103.8° |
| P | O5' | C5' | 122.5° | 118.5° |
| P | OP2 | HOP2 | 109.5° | 119.0° |
| O5' | C5' | H5'' | 107.2° | 109.2° |
| O5' | C5' | C4' | 113.5° | 108.6° |
| O5' | C5' | H5' | 108.2° | 109.2° |
| H5'' | C5' | C4' | 107.3° | 110.1° |
| H5'' | C5' | H5' | 112.6° | 109.6° |
| C4' | C5' | H5' | 108.2° | 110.1° |
| C5' | C4' | O4' | 113.7° | 109.7° |
| C5' | C4' | C3' | 105.1° | 113.3° |
| C5' | C4' | H4' | 109.5° | 108.5° |
| O4' | C4' | C3' | 109.0° | 106.3° |
| O4' | C4' | H4' | 105.6° | 107.8° |
| C4' | O4' | C1' | 106.3° | 108.5° |
| C3' | C4' | H4' | 114.2° | 111.1° |
| C4' | C3' | C2' | 102.3° | 101.5° |
| C4' | C3' | O3' | 103.2° | 111.4° |
| C4' | C3' | H3' | 118.5° | 111.7° |
| O4' | C1' | O1' | 113.9° | 110.7° |
| O4' | C1' | H1' | 107.4° | 108.9° |
| O4' | C1' | C2' | 106.5° | 106.9° |
| O1' | C1' | H1' | 108.1° | 107.5° |
| O1' | C1' | C2' | 105.7° | 111.4° |
| C1' | O1' | HO1' | 109.5° | 107.0° |
| H1' | C1' | C2' | 115.4° | 111.5° |
| C1' | C2' | H2' | 113.1° | 113.8° |
| C1' | C2' | H2'' | 115.2° | 110.8° |
| C1' | C2' | C3' | 99.0° | 101.8° |
| H2' | C2' | H2'' | 101.7° | 108.1° |
| H2' | C2' | C3' | 113.1° | 112.5° |
| H2'' | C2' | C3' | 115.3° | 109.8° |
| C2' | C3' | O3' | 111.8° | 112.3° |
| C2' | C3' | H3' | 110.8° | 110.5° |
| O3' | C3' | H3' | 109.9° | 109.2° |
| C3' | O3' | HO3' | 109.5° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | O5' | 103.2° | 119.3° |
| OP3 | P | OP1 | OP2 | 123.5° | 120.1° |
| OP3 | P | O5' | OP2 | 112.7° | 107.4° |
| OP3 | P | OP2 | HOP2 | 164.6° | 77.5° |
| OP3 | P | O5' | C5' | 68.1° | 54.3° |
| HOP3 | OP3 | P | OP1 | 143.4° | 48.0° |
| HOP3 | OP3 | P | O5' | 33.9° | 173.8° |
| HOP3 | OP3 | P | OP2 | 86.1° | 78.4° |
| OP1 | P | O5' | OP2 | 135.1° | 126.8° |
| OP1 | P | OP2 | HOP2 | 40.0° | 48.8° |
| OP1 | P | O5' | C5' | 44.2° | 180.0° |
| O5' | P | OP2 | HOP2 | 88.8° | 175.4° |
| P | O5' | C5' | H5'' | 54.4° | 59.9° |
| P | O5' | C5' | C4' | 172.6° | 180.0° |
| P | O5' | C5' | H5' | 67.4° | 59.9° |
| OP2 | P | O5' | C5' | 179.2° | 53.2° |
| O5' | C5' | H5'' | C4' | 122.2° | 119.2° |
| O5' | C5' | H5'' | H5' | 118.9° | 119.6° |
| O5' | C5' | C4' | H5' | 120.0° | 119.6° |
| O5' | C5' | C4' | O4' | 70.4° | 61.0° |
| O5' | C5' | C4' | C3' | 170.6° | 179.6° |
| O5' | C5' | C4' | H4' | 47.5° | 56.5° |
| H5'' | C5' | C4' | H5' | 121.8° | 120.9° |
| H5'' | C5' | C4' | O4' | 47.9° | 179.5° |
| H5'' | C5' | C4' | C3' | 71.2° | 60.9° |
| H5'' | C5' | C4' | H4' | 165.8° | 63.0° |
| C5' | C4' | O4' | C3' | 116.8° | 122.8° |
| C5' | C4' | O4' | H4' | 120.1° | 118.0° |
| C5' | C4' | C3' | H4' | 120.0° | 122.5° |
| C5' | C4' | O4' | C1' | 113.1° | 137.6° |
| C5' | C4' | C3' | C2' | 94.1° | 153.8° |
| C5' | C4' | C3' | O3' | 149.7° | 86.4° |
| C5' | C4' | C3' | H3' | 28.0° | 36.0° |
| H5' | C5' | C4' | O4' | 169.6° | 58.6° |
| H5' | C5' | C4' | C3' | 50.6° | 60.0° |
| H5' | C5' | C4' | H4' | 72.5° | 176.1° |
| O4' | C4' | C3' | H4' | 117.8° | 117.0° |
| C4' | O4' | C1' | O1' | 138.2° | 111.6° |
| C4' | O4' | C1' | H1' | 102.1° | 130.4° |
| C4' | O4' | C1' | C2' | 22.1° | 9.9° |
| O4' | C4' | C3' | C2' | 28.0° | 33.2° |
| O4' | C4' | C3' | O3' | 88.2° | 153.0° |
| O4' | C4' | C3' | H3' | 150.1° | 84.5° |
| C3' | C4' | O4' | C1' | 3.7° | 14.8° |
| C4' | C3' | C2' | C1' | 38.5° | 37.6° |
| C4' | C3' | C2' | H2' | 158.5° | 159.8° |
| C4' | C3' | C2' | H2'' | 85.0° | 79.8° |
| C4' | C3' | C2' | O3' | 109.8° | 119.1° |
| C4' | C3' | C2' | H3' | 127.2° | 118.6° |
| C4' | C3' | O3' | H3' | 127.3° | 123.8° |
| C4' | C3' | O3' | HO3' | 93.4° | 160.5° |
| H4' | C4' | O4' | C1' | 126.8° | 104.4° |
| H4' | C4' | C3' | C2' | 145.9° | 83.7° |
| H4' | C4' | C3' | O3' | 29.7° | 36.0° |
| H4' | C4' | C3' | H3' | 92.0° | 158.5° |
| O4' | C1' | O1' | H1' | 119.3° | 118.8° |
| O4' | C1' | O1' | C2' | 116.6° | 118.8° |
| O4' | C1' | H1' | C2' | 118.6° | 117.7° |
| O4' | C1' | O1' | HO1' | 102.4° | 93.8° |
| O4' | C1' | C2' | H2' | 158.3° | 151.5° |
| O4' | C1' | C2' | H2'' | 85.3° | 86.4° |
| O4' | C1' | C2' | C3' | 38.3° | 30.3° |
| O1' | C1' | H1' | C2' | 118.1° | 122.3° |
| O1' | C1' | C2' | H2' | 80.2° | 30.5° |
| O1' | C1' | C2' | H2'' | 36.2° | 152.5° |
| O1' | C1' | C2' | C3' | 159.8° | 90.8° |
| H1' | C1' | O1' | HO1' | 16.9° | 25.1° |
| H1' | C1' | C2' | H2' | 39.2° | 89.6° |
| H1' | C1' | C2' | H2'' | 155.7° | 32.5° |
| H1' | C1' | C2' | C3' | 80.8° | 149.2° |
| C2' | C1' | O1' | HO1' | 141.1° | 147.4° |
| C1' | C2' | H2' | H2'' | 124.2° | 123.6° |
| C1' | C2' | H2' | C3' | 111.6° | 115.0° |
| C1' | C2' | H2'' | C3' | 114.5° | 111.7° |
| C1' | C2' | C3' | O3' | 71.3° | 156.8° |
| C1' | C2' | C3' | H3' | 165.7° | 81.0° |
| H2' | C2' | H2'' | C3' | 122.8° | 123.0° |
| H2' | C2' | C3' | O3' | 48.7° | 81.1° |
| H2' | C2' | C3' | H3' | 74.3° | 41.2° |
| H2'' | C2' | C3' | O3' | 165.2° | 39.3° |
| H2'' | C2' | C3' | H3' | 42.2° | 161.6° |
| C2' | C3' | O3' | H3' | 123.5° | 123.0° |
| C2' | C3' | O3' | HO3' | 157.4° | 86.4° |
| H3' | C3' | O3' | HO3' | 33.9° | 36.6° |
