DG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P1 | doub | 1.48Å | 1.52Å | |
| O6P | P2 | doub | 1.48Å | 1.54Å | |
| P1 | O1P | sing | 1.61Å | 1.67Å | |
| P1 | O3P | sing | 1.61Å | 1.53Å | |
| P1 | O4P | sing | 1.61Å | 1.51Å | |
| O7P | P2 | sing | 1.61Å | 1.46Å | |
| O1P | C1 | sing | 1.34Å | 1.44Å | |
| P2 | O8P | sing | 1.61Å | 1.54Å | |
| P2 | O5P | sing | 1.61Å | 1.66Å | |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C1 | O1 | doub | 1.21Å | 1.18Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| O5P | C3 | sing | 1.43Å | 1.41Å | |
| O4P | H5 | sing | 0.97Å | 0.95Å | |
| O3P | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O8P | H7 | sing | 0.97Å | 0.95Å | |
| O7P | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P1 | O1P | 107.6° | 109.4° |
| O2P | P1 | O3P | 107.1° | 109.5° |
| O2P | P1 | O4P | 111.3° | 109.4° |
| O6P | P2 | O7P | 109.1° | 109.4° |
| O6P | P2 | O8P | 117.3° | 109.5° |
| O6P | P2 | O5P | 105.5° | 109.5° |
| O1P | P1 | O3P | 118.5° | 109.5° |
| O1P | P1 | O4P | 106.8° | 109.5° |
| P1 | O1P | C1 | 122.9° | 117.0° |
| O3P | P1 | O4P | 105.6° | 109.5° |
| P1 | O3P | H6 | 109.5° | 114.0° |
| P1 | O4P | H5 | 109.5° | 114.0° |
| O7P | P2 | O8P | 101.4° | 109.5° |
| O7P | P2 | O5P | 115.9° | 109.4° |
| P2 | O7P | H8 | 109.5° | 114.0° |
| O1P | C1 | C2 | 123.2° | 120.0° |
| O1P | C1 | O1 | 116.2° | 120.0° |
| O8P | P2 | O5P | 108.1° | 109.5° |
| P2 | O8P | H7 | 109.5° | 114.0° |
| P2 | O5P | C3 | 118.9° | 123.0° |
| C2 | C1 | O1 | 120.6° | 120.0° |
| C1 | C2 | C3 | 127.0° | 109.5° |
| C1 | C2 | O2 | 101.9° | 109.5° |
| C1 | C2 | H1 | 106.5° | 109.5° |
| C3 | C2 | O2 | 105.5° | 109.4° |
| C2 | C3 | O5P | 118.8° | 109.5° |
| C3 | C2 | H1 | 106.5° | 109.5° |
| C2 | C3 | H4 | 107.1° | 109.4° |
| C2 | C3 | H3 | 107.1° | 109.5° |
| O2 | C2 | H1 | 108.5° | 109.5° |
| C2 | O2 | H2 | 109.5° | 114.0° |
| O5P | C3 | H4 | 107.1° | 109.5° |
| O5P | C3 | H3 | 107.1° | 109.5° |
| H4 | C3 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P1 | O1P | O3P | 121.5° | 120.0° |
| O2P | P1 | O1P | O4P | 119.6° | 119.9° |
| O2P | P1 | O3P | O4P | 118.8° | 120.0° |
| O2P | P1 | O1P | C1 | 108.9° | 55.1° |
| O2P | P1 | O4P | H5 | 0.0° | 60.0° |
| O2P | P1 | O3P | H6 | 0.0° | 180.0° |
| O6P | P2 | O7P | O8P | 124.4° | 120.0° |
| O6P | P2 | O7P | O5P | 118.9° | 120.0° |
| O6P | P2 | O8P | O5P | 119.0° | 120.0° |
| O6P | P2 | O5P | C3 | 25.4° | 54.9° |
| O6P | P2 | O8P | H7 | 80.9° | 60.0° |
| O6P | P2 | O7P | H8 | 0.0° | 180.0° |
| O1P | P1 | O3P | O4P | 119.5° | 120.0° |
| P1 | O1P | C1 | C2 | 30.5° | 179.9° |
| P1 | O1P | C1 | O1 | 148.7° | 0.0° |
| O1P | P1 | O4P | H5 | 117.1° | 180.0° |
| O1P | P1 | O3P | H6 | 121.7° | 60.0° |
| O3P | P1 | O1P | C1 | 129.6° | 65.0° |
| O3P | P1 | O4P | H5 | 115.9° | 60.0° |
| O4P | P1 | O1P | C1 | 10.7° | 175.0° |
| O4P | P1 | O3P | H6 | 118.8° | 60.1° |
| O7P | P2 | O8P | O5P | 122.3° | 120.0° |
| O7P | P2 | O5P | C3 | 146.2° | 65.0° |
| O7P | P2 | O8P | H7 | 160.5° | 60.0° |
| O1P | C1 | C2 | O1 | 179.2° | 180.0° |
| O1P | C1 | C2 | C3 | 158.7° | 65.0° |
| O1P | C1 | C2 | O2 | 81.3° | 175.1° |
| O1P | C1 | C2 | H1 | 32.3° | 55.0° |
| O8P | P2 | O5P | C3 | 100.8° | 175.0° |
| O8P | P2 | O7P | H8 | 124.4° | 59.9° |
| P2 | O5P | C3 | C2 | 57.6° | 180.0° |
| P2 | O5P | C3 | H4 | 63.8° | 60.0° |
| P2 | O5P | C3 | H3 | 178.9° | 59.9° |
| O5P | P2 | O8P | H7 | 38.2° | 180.0° |
| O5P | P2 | O7P | H8 | 118.9° | 60.1° |
| C1 | C2 | C3 | O2 | 118.5° | 120.0° |
| C1 | C2 | C3 | H1 | 126.4° | 120.0° |
| C1 | C2 | O2 | H1 | 112.1° | 120.1° |
| C1 | C2 | C3 | O5P | 8.0° | 175.1° |
| C1 | C2 | O2 | H2 | 180.0° | 59.9° |
| C1 | C2 | C3 | H4 | 129.3° | 65.0° |
| C1 | C2 | C3 | H3 | 113.3° | 55.0° |
| O1 | C1 | C2 | C3 | 22.2° | 115.0° |
| O1 | C1 | C2 | O2 | 97.9° | 4.9° |
| O1 | C1 | C2 | H1 | 148.6° | 125.0° |
| C3 | C2 | O2 | H1 | 113.7° | 120.0° |
| C2 | C3 | O5P | H4 | 121.3° | 120.0° |
| C2 | C3 | O5P | H3 | 121.3° | 120.0° |
| C3 | C2 | O2 | H2 | 45.8° | 60.0° |
| C2 | C3 | H4 | H3 | 115.8° | 120.0° |
| O2 | C2 | C3 | O5P | 126.4° | 65.0° |
| O2 | C2 | C3 | H4 | 112.2° | 55.0° |
| O2 | C2 | C3 | H3 | 5.1° | 174.9° |
| O5P | C3 | C2 | H1 | 118.4° | 55.0° |
| O5P | C3 | H4 | H3 | 115.8° | 120.0° |
| H1 | C2 | O2 | H2 | 67.9° | 180.0° |
| H1 | C2 | C3 | H4 | 2.9° | 175.0° |
| H1 | C2 | C3 | H3 | 120.3° | 65.1° |
