EPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.32Å | 1.43Å | |
| C1 | C6 | sing | 1.50Å | 1.44Å | |
| C1 | C10 | sing | 1.47Å | 1.41Å | |
| C2 | C3 | sing | 1.50Å | 1.41Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.28Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.30Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.38Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O3 | P | sing | 1.61Å | 1.60Å | |
| P | O1P | doub | 1.48Å | 1.55Å | |
| P | O2P | sing | 1.61Å | 1.60Å | |
| P | O3P | sing | 1.61Å | 1.67Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C7 | sing | 1.36Å | 1.37Å | |
| C7 | C8 | doub | 1.33Å | 1.44Å | |
| C7 | C9 | sing | 1.47Å | 1.39Å | |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C8 | H82 | sing | 1.08Å | 1.10Å | |
| C9 | O91 | sing | 1.35Å | 1.29Å | |
| C9 | O92 | doub | 1.22Å | 1.31Å | |
| O91 | H91 | sing | 0.97Å | 0.95Å | |
| C10 | O11 | doub | 1.21Å | 1.33Å | |
| C10 | O12 | sing | 1.35Å | 1.31Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.1° | 123.8° |
| C2 | C1 | C10 | 131.9° | 118.1° |
| C1 | C2 | C3 | 124.7° | 123.9° |
| C1 | C2 | H2 | 118.3° | 118.1° |
| C6 | C1 | C10 | 110.1° | 118.1° |
| C1 | C6 | C5 | 113.3° | 110.1° |
| C1 | C6 | H61 | 110.8° | 109.4° |
| C1 | C6 | H62 | 110.8° | 109.4° |
| C1 | C10 | O11 | 127.0° | 120.0° |
| C1 | C10 | O12 | 130.8° | 120.0° |
| C3 | C2 | H2 | 117.0° | 118.0° |
| C2 | C3 | C4 | 104.7° | 110.0° |
| C2 | C3 | O3 | 106.0° | 109.3° |
| C2 | C3 | H3 | 113.8° | 109.4° |
| C4 | C3 | O3 | 106.7° | 109.1° |
| C4 | C3 | H3 | 113.1° | 109.7° |
| C3 | C4 | C5 | 110.7° | 108.6° |
| C3 | C4 | O4 | 105.0° | 109.6° |
| C3 | C4 | H4 | 115.1° | 109.7° |
| O3 | C3 | H3 | 112.0° | 109.3° |
| C3 | O3 | P | 100.0° | 106.8° |
| C5 | C4 | O4 | 117.9° | 109.7° |
| C5 | C4 | H4 | 101.2° | 109.7° |
| C4 | C5 | C6 | 107.6° | 108.5° |
| C4 | C5 | O5 | 109.4° | 109.6° |
| C4 | C5 | H5 | 110.8° | 109.7° |
| O4 | C4 | H4 | 107.3° | 109.6° |
| C4 | O4 | HO4 | 105.0° | 106.8° |
| C6 | C5 | O5 | 109.6° | 109.8° |
| C6 | C5 | H5 | 110.6° | 109.7° |
| C5 | C6 | H61 | 110.8° | 109.3° |
| C5 | C6 | H62 | 110.8° | 109.4° |
| O5 | C5 | H5 | 108.8° | 109.6° |
| C5 | O5 | C7 | 122.4° | 106.8° |
| H61 | C6 | H62 | 99.5° | 109.3° |
| O3 | P | O1P | 113.1° | 109.5° |
| O3 | P | O2P | 109.2° | 109.5° |
| O3 | P | O3P | 101.9° | 109.5° |
| O1P | P | O2P | 125.4° | 109.5° |
| O1P | P | O3P | 105.7° | 109.5° |
| O2P | P | O3P | 97.4° | 109.4° |
| P | O2P | H2P | 109.2° | 106.8° |
| P | O3P | H3P | 101.9° | 106.8° |
| O5 | C7 | C8 | 120.8° | 120.0° |
| O5 | C7 | C9 | 124.8° | 120.0° |
| C8 | C7 | C9 | 114.4° | 120.1° |
| C7 | C8 | H81 | 114.4° | 120.0° |
| C7 | C8 | H82 | 120.8° | 120.0° |
| C7 | C9 | O91 | 120.5° | 119.9° |
| C7 | C9 | O92 | 123.9° | 120.1° |
| H81 | C8 | H82 | 124.8° | 119.9° |
| O91 | C9 | O92 | 115.6° | 120.0° |
| C9 | O91 | H91 | 120.5° | 120.0° |
| O11 | C10 | O12 | 102.2° | 120.0° |
| C10 | O12 | H12 | 130.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C10 | 170.2° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 16.0° | 16.8° |
| C1 | C2 | C3 | O3 | 96.5° | 103.0° |
| C1 | C2 | C3 | H3 | 140.0° | 137.4° |
| C2 | C1 | C6 | C5 | 3.1° | 17.1° |
| C2 | C1 | C6 | H61 | 128.4° | 103.0° |
| C2 | C1 | C6 | H62 | 122.1° | 137.4° |
| C2 | C1 | C10 | O11 | 178.1° | 0.0° |
| C2 | C1 | C10 | O12 | 2.3° | 180.0° |
| C6 | C1 | C2 | C3 | 11.4° | 0.2° |
| C6 | C1 | C2 | H2 | 168.6° | 179.5° |
| C1 | C6 | C5 | C4 | 42.9° | 49.8° |
| C1 | C6 | C5 | H61 | 125.3° | 120.2° |
| C1 | C6 | C5 | H62 | 125.3° | 120.2° |
| C1 | C6 | C5 | O5 | 161.8° | 169.6° |
| C1 | C6 | C5 | H5 | 78.3° | 70.0° |
| C1 | C6 | H61 | H62 | 116.7° | 119.7° |
| C6 | C1 | C10 | O11 | 13.6° | 180.0° |
| C6 | C1 | C10 | O12 | 166.0° | 0.0° |
| C10 | C1 | C2 | C3 | 179.0° | 179.8° |
| C10 | C1 | C2 | H2 | 1.0° | 0.5° |
| C10 | C1 | C6 | C5 | 167.1° | 162.9° |
| C10 | C1 | C6 | H61 | 41.8° | 77.0° |
| C10 | C1 | C6 | H62 | 67.6° | 42.7° |
| C1 | C10 | O11 | O12 | 179.7° | 180.0° |
| C1 | C10 | O12 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | O3 | 112.1° | 119.9° |
| C2 | C3 | C4 | H3 | 124.4° | 120.4° |
| C2 | C3 | O3 | H3 | 124.6° | 119.7° |
| C2 | C3 | C4 | C5 | 59.1° | 49.5° |
| C2 | C3 | C4 | O4 | 172.7° | 169.3° |
| C2 | C3 | C4 | H4 | 54.9° | 70.4° |
| C2 | C3 | O3 | P | 115.5° | 120.0° |
| H2 | C2 | C3 | C4 | 164.0° | 162.9° |
| H2 | C2 | C3 | O3 | 83.4° | 77.4° |
| H2 | C2 | C3 | H3 | 40.0° | 42.3° |
| C4 | C3 | O3 | H3 | 124.3° | 119.9° |
| C3 | C4 | C5 | O4 | 120.9° | 119.7° |
| C3 | C4 | C5 | H4 | 122.4° | 119.9° |
| C3 | C4 | O4 | H4 | 122.9° | 120.4° |
| C3 | C4 | C5 | C6 | 76.5° | 68.0° |
| C3 | C4 | C5 | O5 | 164.4° | 172.1° |
| C3 | C4 | C5 | H5 | 44.5° | 51.8° |
| C4 | C3 | O3 | P | 133.4° | 119.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.5° |
| O3 | C3 | C4 | C5 | 53.0° | 70.4° |
| O3 | C3 | C4 | O4 | 75.2° | 49.3° |
| O3 | C3 | C4 | H4 | 167.0° | 169.7° |
| C3 | O3 | P | O1P | 45.6° | 60.0° |
| C3 | O3 | P | O2P | 169.7° | 180.0° |
| C3 | O3 | P | O3P | 67.3° | 60.0° |
| H3 | C3 | C4 | C5 | 176.6° | 169.8° |
| H3 | C3 | C4 | O4 | 48.3° | 70.4° |
| H3 | C3 | C4 | H4 | 69.5° | 49.9° |
| H3 | C3 | O3 | P | 9.1° | 0.3° |
| C5 | C4 | O4 | H4 | 113.3° | 120.5° |
| C4 | C5 | C6 | O5 | 118.9° | 119.8° |
| C4 | C5 | C6 | H5 | 121.1° | 119.8° |
| C4 | C5 | O5 | H5 | 121.2° | 120.4° |
| C4 | C5 | C6 | H61 | 168.2° | 70.4° |
| C4 | C5 | C6 | H62 | 82.4° | 170.0° |
| C5 | C4 | O4 | HO4 | 56.2° | 179.6° |
| C4 | C5 | O5 | C7 | 111.1° | 150.8° |
| O4 | C4 | C5 | C6 | 162.6° | 172.2° |
| O4 | C4 | C5 | O5 | 43.5° | 52.4° |
| O4 | C4 | C5 | H5 | 76.4° | 68.0° |
| H4 | C4 | C5 | C6 | 45.9° | 51.8° |
| H4 | C4 | C5 | O5 | 73.2° | 68.0° |
| H4 | C4 | C5 | H5 | 166.9° | 171.6° |
| H4 | C4 | O4 | HO4 | 57.1° | 59.9° |
| C6 | C5 | O5 | H5 | 121.0° | 120.5° |
| C5 | C6 | H61 | H62 | 116.6° | 119.6° |
| C6 | C5 | O5 | C7 | 131.1° | 90.1° |
| O5 | C5 | C6 | H61 | 72.9° | 49.4° |
| O5 | C5 | C6 | H62 | 36.5° | 70.2° |
| C5 | O5 | C7 | C8 | 22.4° | 112.4° |
| C5 | O5 | C7 | C9 | 157.8° | 67.6° |
| H5 | C5 | C6 | H61 | 47.0° | 169.8° |
| H5 | C5 | C6 | H62 | 156.4° | 50.3° |
| H5 | C5 | O5 | C7 | 10.1° | 30.4° |
| O3 | P | O1P | O2P | 137.9° | 120.0° |
| O3 | P | O1P | O3P | 110.7° | 120.0° |
| O3 | P | O2P | O3P | 105.4° | 120.0° |
| O3 | P | O2P | H2P | 180.0° | 180.0° |
| O3 | P | O3P | H3P | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 115.3° | 120.0° |
| O1P | P | O2P | H2P | 40.7° | 60.0° |
| O1P | P | O3P | H3P | 61.6° | 180.0° |
| O2P | P | O3P | H3P | 68.5° | 60.0° |
| O3P | P | O2P | H2P | 74.6° | 60.0° |
| O5 | C7 | C8 | C9 | 179.8° | 180.0° |
| O5 | C7 | C8 | H81 | 0.2° | 174.7° |
| O5 | C7 | C8 | H82 | 180.0° | 5.3° |
| O5 | C7 | C9 | O91 | 2.0° | 180.0° |
| O5 | C7 | C9 | O92 | 175.3° | 0.0° |
| C7 | C8 | H81 | H82 | 179.8° | 179.9° |
| C8 | C7 | C9 | O91 | 177.8° | 0.0° |
| C8 | C7 | C9 | O92 | 4.9° | 180.0° |
| C9 | C7 | C8 | H81 | 180.0° | 5.3° |
| C9 | C7 | C8 | H82 | 0.2° | 174.8° |
| C7 | C9 | O91 | O92 | 177.5° | 180.0° |
| C7 | C9 | O91 | H91 | 180.0° | 180.0° |
| O92 | C9 | O91 | H91 | 2.5° | 0.1° |
| O11 | C10 | O12 | H12 | 0.3° | 0.1° |
