PED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 115.79Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.00Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.56Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.43Å | 1.44Å | |
| C4' | C3' | sing | 1.53Å | 1.55Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å | |
| O4' | HO'4 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| C1' | H1'3 | sing | 1.09Å | 1.10Å | |
| O3' | H3T | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 120.4° | 109.5° |
| O1P | P | O3P | 113.6° | 109.5° |
| O1P | P | O5' | 105.6° | 109.5° |
| O2P | P | O3P | 39.0° | 109.4° |
| O2P | P | O5' | 109.0° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O3P | P | O5' | 138.8° | 109.4° |
| P | O3P | HOP3 | 90.0° | 114.0° |
| P | O5' | C5' | 119.9° | 123.0° |
| O5' | C5' | C4' | 102.3° | 109.4° |
| O5' | C5' | H5'1 | 111.9° | 109.5° |
| O5' | C5' | H5'2 | 113.4° | 109.5° |
| C3' | C2' | C1' | 113.9° | 109.4° |
| C3' | C2' | H2'1 | 108.0° | 109.5° |
| C3' | C2' | H2'2 | 107.0° | 109.5° |
| C2' | C3' | C4' | 116.6° | 109.5° |
| C2' | C3' | O3' | 105.0° | 109.5° |
| C2' | C3' | H3' | 107.2° | 109.4° |
| C1' | C2' | H2'1 | 108.1° | 109.5° |
| C1' | C2' | H2'2 | 107.0° | 109.5° |
| C2' | C1' | H1'1 | 109.5° | 109.5° |
| C2' | C1' | H1'2 | 109.5° | 109.5° |
| C2' | C1' | H1'3 | 109.5° | 109.4° |
| H2'1 | C2' | H2'2 | 113.0° | 109.5° |
| C4' | C5' | H5'1 | 111.9° | 109.5° |
| C4' | C5' | H5'2 | 113.4° | 109.5° |
| C5' | C4' | O4' | 105.7° | 109.5° |
| C5' | C4' | C3' | 110.7° | 109.5° |
| C5' | C4' | H4'1 | 111.4° | 109.5° |
| H5'1 | C5' | H5'2 | 104.1° | 109.5° |
| O4' | C4' | C3' | 110.0° | 109.5° |
| O4' | C4' | H4'1 | 112.0° | 109.5° |
| C4' | O4' | HO'4 | 109.5° | 114.0° |
| C3' | C4' | H4'1 | 107.1° | 109.5° |
| C4' | C3' | O3' | 107.8° | 109.5° |
| C4' | C3' | H3' | 104.5° | 109.5° |
| O3' | C3' | H3' | 116.2° | 109.5° |
| C3' | O3' | H3T | 109.5° | 114.0° |
| H1'1 | C1' | H1'2 | 109.5° | 109.5° |
| H1'1 | C1' | H1'3 | 109.4° | 109.4° |
| H1'2 | C1' | H1'3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 90.8° | 120.0° |
| O1P | P | O2P | O5' | 122.1° | 120.1° |
| O1P | P | O3P | O5' | 161.0° | 120.0° |
| O1P | P | O2P | HOP2 | 146.5° | 180.0° |
| O1P | P | O3P | HOP3 | 90.0° | 60.0° |
| O1P | P | O5' | C5' | 171.4° | 55.0° |
| O2P | P | O3P | O5' | 51.2° | 120.0° |
| O2P | P | O3P | HOP3 | 90.0° | 60.0° |
| O2P | P | O5' | C5' | 40.7° | 65.1° |
| O3P | P | O2P | HOP2 | 55.7° | 60.1° |
| O3P | P | O5' | C5' | 9.5° | 175.0° |
| O5' | P | O2P | HOP2 | 91.4° | 59.9° |
| O5' | P | O3P | HOP3 | 90.0° | 179.9° |
| P | O5' | C5' | C4' | 134.6° | 180.0° |
| P | O5' | C5' | H5'1 | 14.6° | 60.0° |
| P | O5' | C5' | H5'2 | 102.9° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 122.5° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 122.9° | 120.0° |
| O5' | C5' | C4' | O4' | 169.1° | 65.0° |
| O5' | C5' | C4' | C3' | 71.8° | 175.0° |
| O5' | C5' | C4' | H4'1 | 47.3° | 55.0° |
| C3' | C2' | C1' | H2'1 | 120.0° | 120.0° |
| C3' | C2' | C1' | H2'2 | 118.1° | 120.0° |
| C3' | C2' | H2'1 | H2'2 | 118.2° | 120.0° |
| C2' | C3' | C4' | C5' | 67.4° | 180.0° |
| C2' | C3' | C4' | O4' | 49.1° | 60.0° |
| C2' | C3' | C4' | O3' | 117.7° | 120.0° |
| C2' | C3' | C4' | H3' | 118.2° | 119.9° |
| C2' | C3' | C4' | H4'1 | 171.0° | 60.0° |
| C2' | C3' | O3' | H3' | 118.3° | 120.0° |
| C3' | C2' | C1' | H1'1 | 99.3° | 60.1° |
| C3' | C2' | C1' | H1'2 | 20.8° | 60.0° |
| C3' | C2' | C1' | H1'3 | 140.8° | 180.0° |
| C2' | C3' | O3' | H3T | 99.7° | 60.0° |
| C1' | C2' | H2'1 | H2'2 | 118.2° | 120.0° |
| C1' | C2' | C3' | C4' | 78.0° | 175.0° |
| C1' | C2' | C3' | O3' | 41.1° | 65.0° |
| C1' | C2' | C3' | H3' | 165.3° | 55.1° |
| C2' | C1' | H1'1 | H1'2 | 120.0° | 120.1° |
| C2' | C1' | H1'1 | H1'3 | 120.0° | 119.9° |
| C2' | C1' | H1'2 | H1'3 | 120.0° | 120.0° |
| H2'1 | C2' | C3' | C4' | 42.0° | 65.0° |
| H2'1 | C2' | C3' | O3' | 161.2° | 55.0° |
| H2'1 | C2' | C3' | H3' | 74.7° | 175.0° |
| H2'1 | C2' | C1' | H1'1 | 140.7° | 179.9° |
| H2'1 | C2' | C1' | H1'2 | 99.2° | 60.0° |
| H2'1 | C2' | C1' | H1'3 | 20.8° | 60.0° |
| H2'2 | C2' | C3' | C4' | 163.9° | 55.0° |
| H2'2 | C2' | C3' | O3' | 76.9° | 175.0° |
| H2'2 | C2' | C3' | H3' | 47.3° | 65.0° |
| H2'2 | C2' | C1' | H1'1 | 18.8° | 59.9° |
| H2'2 | C2' | C1' | H1'2 | 138.8° | 180.0° |
| H2'2 | C2' | C1' | H1'3 | 101.2° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 122.9° | 120.0° |
| C5' | C4' | O4' | C3' | 119.5° | 120.0° |
| C5' | C4' | O4' | H4'1 | 121.4° | 120.0° |
| C5' | C4' | C3' | H4'1 | 121.6° | 120.0° |
| C5' | C4' | O4' | HO'4 | 143.4° | 60.0° |
| C5' | C4' | C3' | O3' | 175.0° | 60.0° |
| C5' | C4' | C3' | H3' | 50.8° | 60.1° |
| H5'1 | C5' | C4' | O4' | 49.1° | 55.0° |
| H5'1 | C5' | C4' | C3' | 168.2° | 65.0° |
| H5'1 | C5' | C4' | H4'1 | 72.7° | 175.0° |
| H5'2 | C5' | C4' | O4' | 68.3° | 175.0° |
| H5'2 | C5' | C4' | C3' | 50.8° | 55.0° |
| H5'2 | C5' | C4' | H4'1 | 169.8° | 65.0° |
| O4' | C4' | C3' | H4'1 | 122.0° | 120.0° |
| O4' | C4' | C3' | O3' | 68.6° | NaN° |
| O4' | C4' | C3' | H3' | 167.2° | 59.9° |
| C3' | C4' | O4' | HO'4 | 23.9° | 60.0° |
| C4' | C3' | O3' | H3' | 116.8° | 120.0° |
| C4' | C3' | O3' | H3T | 135.4° | 60.0° |
| H4'1 | C4' | O4' | HO'4 | 95.2° | 180.0° |
| H4'1 | C4' | C3' | O3' | 53.4° | 60.0° |
| H4'1 | C4' | C3' | H3' | 70.8° | 180.0° |
| H3' | C3' | O3' | H3T | 18.6° | 180.0° |
| H1'1 | C1' | H1'2 | H1'3 | 120.0° | 119.9° |
