DFP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C1 | C3 | sing | 1.52Å | 1.57Å | |
| C1 | O1P | sing | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.10Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.10Å | 1.11Å | |
| C3 | H33 | sing | 1.10Å | 1.11Å | |
| C1' | C2' | sing | 1.52Å | 1.55Å | |
| C1' | C3' | sing | 1.52Å | 1.58Å | |
| C1' | O2P | sing | 1.42Å | 1.49Å | |
| C1' | H1' | sing | 1.10Å | 1.11Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.10Å | 1.11Å | |
| C2' | H2'3 | sing | 1.10Å | 1.11Å | |
| C3' | H3'1 | sing | 1.09Å | 1.12Å | |
| C3' | H3'2 | sing | 1.09Å | 1.11Å | |
| C3' | H3'3 | sing | 1.10Å | 1.11Å | |
| P | O1P | sing | 1.63Å | 1.64Å | |
| P | O2P | sing | 1.63Å | 1.68Å | |
| P | O3P | doub | 1.51Å | 1.51Å | |
| HP1 | P | sing | 1.41Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 116.9° | 111.9° |
| C2 | C1 | O1P | 107.5° | 109.2° |
| C2 | C1 | H1 | 106.5° | 109.5° |
| C1 | C2 | H21 | 116.8° | 111.3° |
| C1 | C2 | H22 | 109.5° | 110.4° |
| C1 | C2 | H23 | 109.5° | 111.1° |
| C3 | C1 | O1P | 111.5° | 109.2° |
| C3 | C1 | H1 | 102.0° | 109.5° |
| C1 | C3 | H31 | 116.8° | 111.3° |
| C1 | C3 | H32 | 109.5° | 110.4° |
| C1 | C3 | H33 | 109.5° | 111.1° |
| O1P | C1 | H1 | 112.4° | 107.4° |
| C1 | O1P | P | 118.2° | 117.4° |
| H21 | C2 | H22 | 109.5° | 108.6° |
| H21 | C2 | H23 | 109.5° | 108.6° |
| H22 | C2 | H23 | 100.7° | 106.6° |
| H31 | C3 | H32 | 109.5° | 108.6° |
| H31 | C3 | H33 | 109.6° | 108.6° |
| H32 | C3 | H33 | 100.6° | 106.7° |
| C2' | C1' | C3' | 108.0° | 111.9° |
| C2' | C1' | O2P | 109.3° | 109.2° |
| C2' | C1' | H1' | 114.1° | 109.5° |
| C1' | C2' | H2'1 | 108.0° | 111.3° |
| C1' | C2' | H2'2 | 112.7° | 110.3° |
| C1' | C2' | H2'3 | 112.7° | 111.1° |
| C3' | C1' | O2P | 118.0° | 109.2° |
| C3' | C1' | H1' | 104.4° | 109.5° |
| C1' | C3' | H3'1 | 108.1° | 111.3° |
| C1' | C3' | H3'2 | 112.8° | 110.4° |
| C1' | C3' | H3'3 | 112.8° | 111.1° |
| O2P | C1' | H1' | 103.1° | 107.5° |
| C1' | O2P | P | 133.2° | 118.3° |
| H2'1 | C2' | H2'2 | 112.8° | 108.7° |
| H2'1 | C2' | H2'3 | 112.8° | 108.7° |
| H2'2 | C2' | H2'3 | 97.7° | 106.6° |
| H3'1 | C3' | H3'2 | 112.7° | 108.6° |
| H3'1 | C3' | H3'3 | 112.7° | 108.6° |
| H3'2 | C3' | H3'3 | 97.7° | 106.7° |
| O1P | P | O2P | 108.6° | 101.3° |
| O1P | P | O3P | 109.2° | 111.8° |
| O1P | P | HP1 | 111.3° | 103.8° |
| O2P | P | O3P | 112.3° | 111.3° |
| O2P | P | HP1 | 108.1° | 103.8° |
| O3P | P | HP1 | 107.4° | 122.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | O1P | 124.1° | 121.1° |
| C2 | C1 | C3 | H1 | 115.7° | 121.6° |
| C2 | C1 | O1P | H1 | 116.9° | 118.7° |
| C1 | C2 | H21 | H22 | 125.2° | 121.7° |
| C1 | C2 | H21 | H23 | 125.2° | 122.6° |
| C1 | C2 | H22 | H23 | 115.3° | 120.8° |
| C2 | C1 | C3 | H31 | 180.0° | 60.5° |
| C2 | C1 | C3 | H32 | 54.8° | 178.8° |
| C2 | C1 | C3 | H33 | 54.7° | 60.6° |
| C2 | C1 | O1P | P | 126.8° | 60.0° |
| C3 | C1 | O1P | H1 | 113.8° | 118.6° |
| C3 | C1 | C2 | H21 | 180.0° | 60.6° |
| C3 | C1 | C2 | H22 | 54.8° | 178.7° |
| C3 | C1 | C2 | H23 | 54.8° | 60.6° |
| C1 | C3 | H31 | H32 | 125.2° | 121.8° |
| C1 | C3 | H31 | H33 | 125.3° | 122.6° |
| C1 | C3 | H32 | H33 | 115.3° | 120.8° |
| C3 | C1 | O1P | P | 103.9° | 177.3° |
| O1P | C1 | C2 | H21 | 53.9° | 178.3° |
| O1P | C1 | C2 | H22 | 179.1° | 57.6° |
| O1P | C1 | C2 | H23 | 71.4° | 60.5° |
| O1P | C1 | C3 | H31 | 55.8° | 178.4° |
| O1P | C1 | C3 | H32 | 69.3° | 57.7° |
| O1P | C1 | C3 | H33 | 178.8° | 60.4° |
| C1 | O1P | P | O2P | 78.1° | 167.5° |
| C1 | O1P | P | O3P | 44.7° | 73.9° |
| C1 | O1P | P | HP1 | 163.0° | 60.0° |
| H1 | C1 | C2 | H21 | 66.8° | 61.0° |
| H1 | C1 | C2 | H22 | 58.4° | 59.7° |
| H1 | C1 | C2 | H23 | 167.9° | 177.8° |
| H1 | C1 | C3 | H31 | 64.3° | 61.1° |
| H1 | C1 | C3 | H32 | 170.5° | 59.6° |
| H1 | C1 | C3 | H33 | 61.0° | 177.8° |
| H1 | C1 | O1P | P | 9.9° | 58.7° |
| H21 | C2 | H22 | H23 | 115.3° | 116.9° |
| H31 | C3 | H32 | H33 | 115.4° | 116.9° |
| C2' | C1' | C3' | O2P | 124.6° | 121.0° |
| C2' | C1' | C3' | H1' | 121.8° | 121.5° |
| C2' | C1' | O2P | H1' | 121.7° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 125.2° | 121.7° |
| C1' | C2' | H2'1 | H2'3 | 125.3° | 122.6° |
| C1' | C2' | H2'2 | H2'3 | 118.6° | 120.7° |
| C2' | C1' | C3' | H3'1 | 180.0° | 60.5° |
| C2' | C1' | C3' | H3'2 | 54.8° | 178.8° |
| C2' | C1' | C3' | H3'3 | 54.8° | 60.7° |
| C2' | C1' | O2P | P | 157.3° | 60.0° |
| C3' | C1' | O2P | H1' | 114.4° | 118.7° |
| C3' | C1' | C2' | H2'1 | 180.0° | 60.6° |
| C3' | C1' | C2' | H2'2 | 54.7° | 178.7° |
| C3' | C1' | C2' | H2'3 | 54.7° | 60.6° |
| C1' | C3' | H3'1 | H3'2 | 125.3° | 121.7° |
| C1' | C3' | H3'1 | H3'3 | 125.3° | 122.6° |
| C1' | C3' | H3'2 | H3'3 | 118.7° | 120.8° |
| C3' | C1' | O2P | P | 33.4° | 177.3° |
| O2P | C1' | C2' | H2'1 | 50.4° | 178.3° |
| O2P | C1' | C2' | H2'2 | 175.7° | 57.6° |
| O2P | C1' | C2' | H2'3 | 74.9° | 60.4° |
| O2P | C1' | C3' | H3'1 | 55.4° | 178.5° |
| O2P | C1' | C3' | H3'2 | 69.8° | 57.7° |
| O2P | C1' | C3' | H3'3 | 179.3° | 60.4° |
| C1' | O2P | P | O1P | 138.6° | 47.5° |
| C1' | O2P | P | O3P | 100.5° | 166.4° |
| C1' | O2P | P | HP1 | 17.8° | 60.0° |
| H1' | C1' | C2' | H2'1 | 64.3° | 60.9° |
| H1' | C1' | C2' | H2'2 | 60.9° | 59.8° |
| H1' | C1' | C2' | H2'3 | 170.3° | 177.8° |
| H1' | C1' | C3' | H3'1 | 58.2° | 61.0° |
| H1' | C1' | C3' | H3'2 | 176.5° | 59.7° |
| H1' | C1' | C3' | H3'3 | 67.0° | 177.8° |
| H1' | C1' | O2P | P | 81.0° | 58.7° |
| H2'1 | C2' | H2'2 | H2'3 | 118.8° | 117.0° |
| H3'1 | C3' | H3'2 | H3'3 | 118.6° | 117.0° |
| O1P | P | O2P | O3P | 120.9° | 118.9° |
| O1P | P | O2P | HP1 | 120.8° | 107.5° |
| O1P | P | O3P | HP1 | 120.8° | 124.0° |
| O2P | P | O3P | HP1 | 118.7° | 123.5° |
