SPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6P | P2 | sing | 1.61Å | 1.60Å | |
| O6P | H6P | sing | 0.97Å | 0.95Å | |
| P2 | O4P | sing | 1.61Å | 1.49Å | |
| P2 | O5P | doub | 1.48Å | 1.48Å | |
| P2 | O10 | sing | 1.61Å | 1.64Å | |
| O4P | H4P | sing | 0.97Å | 0.95Å | |
| O10 | C9 | sing | 1.43Å | 1.47Å | |
| C9 | C8 | sing | 1.51Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | O3 | sing | 1.43Å | 1.45Å | |
| C8 | O2' | sing | 1.34Å | 1.25Å | |
| C8 | O9 | doub | 1.21Å | 1.25Å | |
| O2' | H2' | sing | 0.97Å | 0.95Å | |
| C10 | F | sing | 1.40Å | 1.38Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| O3 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C6 | C1 | sing | 1.50Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C1 | C7 | sing | 1.47Å | 1.54Å | |
| C1 | C2 | doub | 1.32Å | 1.55Å | |
| C7 | O5 | sing | 1.35Å | 1.25Å | |
| C7 | O4 | doub | 1.21Å | 1.25Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.50Å | 1.55Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | O1 | sing | 1.43Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O1 | P1 | sing | 1.61Å | 1.66Å | |
| P1 | O3P | sing | 1.61Å | 1.60Å | |
| P1 | O2P | sing | 1.61Å | 1.48Å | |
| P1 | O1P | doub | 1.48Å | 1.48Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P2 | O6P | H6P | 107.7° | 106.8° |
| O6P | P2 | O4P | 107.7° | 109.5° |
| O6P | P2 | O5P | 108.4° | 109.5° |
| O6P | P2 | O10 | 101.4° | 109.5° |
| O4P | P2 | O5P | 118.3° | 109.5° |
| O4P | P2 | O10 | 109.2° | 109.4° |
| P2 | O4P | H4P | 107.7° | 106.8° |
| O5P | P2 | O10 | 110.4° | 109.5° |
| P2 | O10 | C9 | 125.5° | 106.8° |
| O10 | C9 | C8 | 109.1° | 109.5° |
| O10 | C9 | C10 | 112.9° | 109.5° |
| O10 | C9 | O3 | 108.0° | 109.5° |
| C8 | C9 | C10 | 111.2° | 109.4° |
| C8 | C9 | O3 | 104.8° | 109.5° |
| C9 | C8 | O2' | 117.9° | 120.0° |
| C9 | C8 | O9 | 118.3° | 120.0° |
| C10 | C9 | O3 | 110.4° | 109.5° |
| C9 | C10 | F | 113.3° | 109.5° |
| C9 | C10 | H101 | 110.8° | 109.5° |
| C9 | C10 | H102 | 110.8° | 109.5° |
| C9 | O3 | C5 | 116.6° | 106.8° |
| O2' | C8 | O9 | 123.7° | 120.0° |
| C8 | O2' | H2' | 117.9° | 120.0° |
| F | C10 | H101 | 110.8° | 109.5° |
| F | C10 | H102 | 110.8° | 109.5° |
| H101 | C10 | H102 | 99.5° | 109.5° |
| O3 | C5 | C4 | 108.4° | 109.6° |
| O3 | C5 | C6 | 106.8° | 109.8° |
| O3 | C5 | H5 | 112.2° | 109.6° |
| C4 | C5 | C6 | 110.3° | 108.5° |
| C4 | C5 | H5 | 108.8° | 109.7° |
| C5 | C4 | O2 | 109.6° | 109.6° |
| C5 | C4 | C3 | 112.8° | 108.7° |
| C5 | C4 | H4 | 107.2° | 109.7° |
| C6 | C5 | H5 | 110.4° | 109.7° |
| C5 | C6 | C1 | 113.5° | 110.1° |
| C5 | C6 | H61 | 110.7° | 109.4° |
| C5 | C6 | H62 | 110.7° | 109.4° |
| O2 | C4 | C3 | 109.7° | 109.6° |
| O2 | C4 | H4 | 110.5° | 109.5° |
| C4 | O2 | HO2 | 109.5° | 106.8° |
| C3 | C4 | H4 | 107.1° | 109.7° |
| C4 | C3 | C2 | 111.3° | 110.1° |
| C4 | C3 | O1 | 111.8° | 109.0° |
| C4 | C3 | H3 | 106.8° | 109.7° |
| C1 | C6 | H61 | 110.7° | 109.3° |
| C1 | C6 | H62 | 110.7° | 109.3° |
| C6 | C1 | C7 | 119.3° | 118.1° |
| C6 | C1 | C2 | 120.9° | 123.7° |
| H61 | C6 | H62 | 99.5° | 109.2° |
| C7 | C1 | C2 | 119.4° | 118.1° |
| C1 | C7 | O5 | 118.2° | 120.0° |
| C1 | C7 | O4 | 118.0° | 120.0° |
| C1 | C2 | C3 | 114.4° | 123.9° |
| C1 | C2 | H2 | 122.8° | 118.1° |
| O5 | C7 | O4 | 123.8° | 120.0° |
| C7 | O5 | HO5 | 118.2° | 120.0° |
| C3 | C2 | H2 | 122.8° | 118.1° |
| C2 | C3 | O1 | 110.4° | 109.4° |
| C2 | C3 | H3 | 108.4° | 109.3° |
| O1 | C3 | H3 | 107.9° | 109.3° |
| C3 | O1 | P1 | 119.3° | 106.8° |
| O1 | P1 | O3P | 103.8° | 109.5° |
| O1 | P1 | O2P | 108.1° | 109.5° |
| O1 | P1 | O1P | 108.8° | 109.5° |
| O3P | P1 | O2P | 109.4° | 109.4° |
| O3P | P1 | O1P | 107.3° | 109.4° |
| P1 | O3P | H3P | 103.8° | 106.8° |
| O2P | P1 | O1P | 118.5° | 109.5° |
| P1 | O2P | H2P | 108.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6P | P2 | O4P | O5P | 123.3° | 120.0° |
| O6P | P2 | O4P | O10 | 109.3° | 120.0° |
| O6P | P2 | O5P | O10 | 110.3° | 120.0° |
| O6P | P2 | O4P | H4P | 180.0° | 59.9° |
| O6P | P2 | O10 | C9 | 172.4° | 177.6° |
| H6P | O6P | P2 | O4P | 180.0° | 60.1° |
| H6P | O6P | P2 | O5P | 50.9° | 59.9° |
| H6P | O6P | P2 | O10 | 65.3° | 180.0° |
| O4P | P2 | O5P | O10 | 126.8° | 120.0° |
| O4P | P2 | O10 | C9 | 58.9° | 62.4° |
| O5P | P2 | O4P | H4P | 56.7° | 179.9° |
| O5P | P2 | O10 | C9 | 72.8° | 57.6° |
| O10 | P2 | O4P | H4P | 70.6° | 60.0° |
| P2 | O10 | C9 | C8 | 110.3° | 66.3° |
| P2 | O10 | C9 | C10 | 13.9° | 173.8° |
| P2 | O10 | C9 | O3 | 136.3° | 53.7° |
| O10 | C9 | C8 | C10 | 125.2° | 120.0° |
| O10 | C9 | C8 | O3 | 115.5° | 120.0° |
| O10 | C9 | C10 | O3 | 121.0° | 120.0° |
| O10 | C9 | C8 | O2' | 29.8° | 64.0° |
| O10 | C9 | C8 | O9 | 153.6° | 115.9° |
| O10 | C9 | C10 | F | 75.2° | 59.1° |
| O10 | C9 | C10 | H101 | 159.6° | 60.9° |
| O10 | C9 | C10 | H102 | 50.1° | 179.2° |
| O10 | C9 | O3 | C5 | 63.5° | 174.5° |
| C8 | C9 | C10 | O3 | 115.9° | 120.0° |
| C9 | C8 | O2' | O9 | 176.4° | 179.9° |
| C9 | C8 | O2' | H2' | 180.0° | 179.9° |
| C8 | C9 | C10 | F | 47.9° | 179.1° |
| C8 | C9 | C10 | H101 | 77.4° | 59.1° |
| C8 | C9 | C10 | H102 | 173.2° | 60.9° |
| C8 | C9 | O3 | C5 | 179.8° | 65.5° |
| C10 | C9 | C8 | O2' | 155.0° | 56.0° |
| C10 | C9 | C8 | O9 | 28.4° | 124.1° |
| C9 | C10 | F | H101 | 125.2° | 120.0° |
| C9 | C10 | F | H102 | 125.2° | 120.0° |
| C9 | C10 | H101 | H102 | 116.6° | 120.0° |
| C10 | C9 | O3 | C5 | 60.4° | 54.5° |
| O3 | C9 | C8 | O2' | 85.7° | 176.0° |
| O3 | C9 | C8 | O9 | 90.9° | 4.1° |
| O3 | C9 | C10 | F | 163.8° | 60.9° |
| O3 | C9 | C10 | H101 | 38.5° | 179.1° |
| O3 | C9 | C10 | H102 | 71.0° | 59.1° |
| C9 | O3 | C5 | C4 | 124.5° | 140.3° |
| C9 | O3 | C5 | C6 | 116.6° | 100.6° |
| C9 | O3 | C5 | H5 | 4.4° | 19.9° |
| O9 | C8 | O2' | H2' | 3.5° | 0.0° |
| F | C10 | H101 | H102 | 116.7° | 120.0° |
| O3 | C5 | C4 | C6 | 116.6° | 119.9° |
| O3 | C5 | C4 | H5 | 122.2° | 120.3° |
| O3 | C5 | C6 | H5 | 122.2° | 120.4° |
| O3 | C5 | C4 | O2 | 59.9° | 52.3° |
| O3 | C5 | C4 | C3 | 177.6° | 172.1° |
| O3 | C5 | C4 | H4 | 60.0° | 68.0° |
| O3 | C5 | C6 | C1 | 163.1° | 169.6° |
| O3 | C5 | C6 | H61 | 37.8° | 49.4° |
| O3 | C5 | C6 | H62 | 71.6° | 70.2° |
| C4 | C5 | C6 | H5 | 120.2° | 119.8° |
| C5 | C4 | O2 | C3 | 124.3° | 119.2° |
| C5 | C4 | O2 | H4 | 117.9° | 120.4° |
| C5 | C4 | C3 | H4 | 117.7° | 119.9° |
| C5 | C4 | O2 | HO2 | 180.0° | 179.6° |
| C4 | C5 | C6 | C1 | 45.5° | 49.8° |
| C4 | C5 | C6 | H61 | 79.8° | 70.4° |
| C4 | C5 | C6 | H62 | 170.8° | 170.0° |
| C5 | C4 | C3 | C2 | 58.6° | 49.5° |
| C5 | C4 | C3 | O1 | 65.3° | 70.5° |
| C5 | C4 | C3 | H3 | 176.8° | 169.9° |
| C6 | C5 | C4 | O2 | 176.5° | 172.2° |
| C6 | C5 | C4 | C3 | 61.1° | 68.0° |
| C6 | C5 | C4 | H4 | 56.6° | 51.9° |
| C5 | C6 | C1 | H61 | 125.3° | 120.2° |
| C5 | C6 | C1 | H62 | 125.3° | 120.3° |
| C5 | C6 | H61 | H62 | 116.6° | 119.8° |
| C5 | C6 | C1 | C7 | 155.8° | 162.9° |
| C5 | C6 | C1 | C2 | 31.6° | 17.2° |
| H5 | C5 | C4 | O2 | 62.3° | 68.0° |
| H5 | C5 | C4 | C3 | 60.1° | 51.8° |
| H5 | C5 | C4 | H4 | 177.8° | 171.7° |
| H5 | C5 | C6 | C1 | 74.7° | 70.0° |
| H5 | C5 | C6 | H61 | 160.0° | 169.8° |
| H5 | C5 | C6 | H62 | 50.5° | 50.2° |
| O2 | C4 | C3 | H4 | 119.9° | 120.3° |
| O2 | C4 | C3 | C2 | 179.0° | 169.3° |
| O2 | C4 | C3 | O1 | 57.0° | 49.3° |
| O2 | C4 | C3 | H3 | 60.9° | 70.4° |
| C3 | C4 | O2 | HO2 | 55.8° | 60.4° |
| C4 | C3 | C2 | C1 | 40.6° | 16.9° |
| C4 | C3 | C2 | O1 | 124.7° | 119.8° |
| C4 | C3 | C2 | H3 | 117.2° | 120.5° |
| C4 | C3 | C2 | H2 | 139.4° | 163.0° |
| C4 | C3 | O1 | H3 | 117.2° | 119.9° |
| C4 | C3 | O1 | P1 | 142.3° | 119.6° |
| H4 | C4 | O2 | HO2 | 62.1° | 60.0° |
| H4 | C4 | C3 | C2 | 59.1° | 70.4° |
| H4 | C4 | C3 | O1 | 176.9° | 169.6° |
| H4 | C4 | C3 | H3 | 59.1° | 49.9° |
| C1 | C6 | H61 | H62 | 116.6° | 119.6° |
| C6 | C1 | C7 | C2 | 172.7° | 179.9° |
| C6 | C1 | C7 | O5 | 162.0° | 0.0° |
| C6 | C1 | C7 | O4 | 18.2° | 180.0° |
| C6 | C1 | C2 | C3 | 29.1° | 0.3° |
| C6 | C1 | C2 | H2 | 150.8° | 179.5° |
| H61 | C6 | C1 | C7 | 79.0° | 76.9° |
| H61 | C6 | C1 | C2 | 93.7° | 103.0° |
| H62 | C6 | C1 | C7 | 30.5° | 42.6° |
| H62 | C6 | C1 | C2 | 156.9° | 137.5° |
| C1 | C7 | O5 | O4 | 179.9° | 180.0° |
| C1 | C7 | O5 | HO5 | 180.0° | 179.9° |
| C7 | C1 | C2 | C3 | 158.2° | 179.8° |
| C7 | C1 | C2 | H2 | 21.8° | 0.4° |
| C2 | C1 | C7 | O5 | 25.3° | 179.9° |
| C2 | C1 | C7 | O4 | 154.6° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | O1 | 84.1° | 102.9° |
| C1 | C2 | C3 | H3 | 157.8° | 137.4° |
| O4 | C7 | O5 | HO5 | 0.1° | 0.1° |
| C2 | C3 | O1 | H3 | 118.3° | 119.7° |
| C2 | C3 | O1 | P1 | 93.2° | 120.0° |
| H2 | C2 | C3 | O1 | 95.9° | 77.3° |
| H2 | C2 | C3 | H3 | 22.1° | 42.4° |
| C3 | O1 | P1 | O3P | 156.9° | 180.0° |
| C3 | O1 | P1 | O2P | 40.9° | 60.0° |
| C3 | O1 | P1 | O1P | 89.0° | 60.0° |
| H3 | C3 | O1 | P1 | 25.1° | 0.3° |
| O1 | P1 | O3P | O2P | 115.2° | 120.0° |
| O1 | P1 | O3P | O1P | 115.1° | 120.0° |
| O1 | P1 | O2P | O1P | 124.2° | 120.0° |
| O1 | P1 | O3P | H3P | 180.0° | 180.0° |
| O1 | P1 | O2P | H2P | 180.0° | 60.0° |
| O3P | P1 | O2P | O1P | 123.4° | 120.0° |
| O3P | P1 | O2P | H2P | 67.6° | 60.0° |
| O2P | P1 | O3P | H3P | 64.8° | 60.0° |
| O1P | P1 | O3P | H3P | 65.0° | 60.0° |
| O1P | P1 | O2P | H2P | 55.8° | 180.0° |
