FPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OX | sing | 1.61Å | 1.68Å | |
| P | O1P | doub | 1.48Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| P | O3P | sing | 1.61Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | OY | sing | 1.43Å | 1.57Å | |
| C2 | C3 | doub | 1.31Å | 1.36Å | |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | doub | 1.31Å | 1.37Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| CX | OX | sing | 1.43Å | 1.42Å | |
| CX | CY | sing | 1.53Å | 1.54Å | |
| CY | OY | sing | 1.43Å | 1.37Å | |
| CY | CZ | sing | 1.51Å | 1.51Å | |
| CZ | O1Z | sing | 1.34Å | 1.28Å | |
| CZ | O2Z | doub | 1.21Å | 1.27Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.31Å | 1.37Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| CX | HX | sing | 1.09Å | 1.10Å | |
| CX | HXA | sing | 1.09Å | 1.10Å | |
| CY | HY | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| O1Z | H1Z | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OX | P | O1P | 109.4° | 109.5° |
| OX | P | O2P | 106.8° | 109.4° |
| OX | P | O3P | 101.9° | 109.4° |
| P | OX | CX | 120.6° | 123.0° |
| O1P | P | O2P | 113.1° | 109.5° |
| O1P | P | O3P | 111.2° | 109.5° |
| O2P | P | O3P | 113.6° | 109.5° |
| P | O2P | H2P | 109.5° | 113.9° |
| P | O3P | H3P | 109.5° | 114.0° |
| C2 | C1 | OY | 108.0° | 109.5° |
| C1 | C2 | C3 | 123.7° | 120.0° |
| C2 | C1 | H1 | 109.8° | 109.5° |
| C2 | C1 | H1A | 109.8° | 109.5° |
| C1 | C2 | H2 | 118.1° | 120.0° |
| C1 | OY | CY | 124.8° | 114.0° |
| OY | C1 | H1 | 109.8° | 109.5° |
| OY | C1 | H1A | 109.8° | 109.5° |
| C2 | C3 | C4 | 112.0° | 120.0° |
| C2 | C3 | C5 | 128.1° | 120.0° |
| C3 | C2 | H2 | 118.2° | 120.0° |
| C4 | C3 | C5 | 119.9° | 120.0° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C5 | C6 | 111.6° | 109.5° |
| C3 | C5 | H5 | 108.9° | 109.4° |
| C3 | C5 | H5A | 108.9° | 109.4° |
| C5 | C6 | C7 | 112.2° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C6 | C5 | H5A | 109.0° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.4° |
| C5 | C6 | H6A | 108.8° | 109.5° |
| C6 | C7 | C8 | 124.2° | 119.9° |
| C7 | C6 | H6 | 108.8° | 109.5° |
| C7 | C6 | H6A | 108.8° | 109.5° |
| C6 | C7 | H7 | 117.9° | 120.0° |
| C7 | C8 | C9 | 125.4° | 120.1° |
| C7 | C8 | C10 | 117.1° | 120.0° |
| C8 | C7 | H7 | 117.9° | 120.1° |
| C9 | C8 | C10 | 117.5° | 120.0° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.4° |
| C8 | C9 | H9B | 109.5° | 109.4° |
| C8 | C10 | C11 | 114.9° | 109.4° |
| C8 | C10 | H10 | 108.1° | 109.5° |
| C8 | C10 | H10A | 108.1° | 109.5° |
| OX | CX | CY | 105.9° | 109.5° |
| OX | CX | HX | 110.3° | 109.5° |
| OX | CX | HXA | 110.3° | 109.4° |
| CX | CY | OY | 111.1° | 109.5° |
| CX | CY | CZ | 107.7° | 109.5° |
| CY | CX | HX | 110.4° | 109.5° |
| CY | CX | HXA | 110.4° | 109.4° |
| CX | CY | HY | 106.6° | 109.5° |
| OY | CY | CZ | 115.4° | 109.5° |
| OY | CY | HY | 108.7° | 109.4° |
| CY | CZ | O1Z | 115.6° | 120.0° |
| CY | CZ | O2Z | 119.8° | 120.0° |
| CZ | CY | HY | 107.0° | 109.5° |
| O1Z | CZ | O2Z | 124.5° | 120.0° |
| CZ | O1Z | H1Z | 109.5° | 117.0° |
| C10 | C11 | C12 | 112.9° | 109.5° |
| C11 | C10 | H10 | 108.1° | 109.5° |
| C11 | C10 | H10A | 108.1° | 109.5° |
| C10 | C11 | H11 | 108.6° | 109.4° |
| C10 | C11 | H11A | 108.6° | 109.5° |
| C11 | C12 | C13 | 127.3° | 120.0° |
| C12 | C11 | H11 | 108.6° | 109.4° |
| C12 | C11 | H11A | 108.6° | 109.5° |
| C11 | C12 | H12 | 116.3° | 120.0° |
| C12 | C13 | C14 | 122.4° | 120.0° |
| C12 | C13 | C15 | 118.5° | 120.0° |
| C13 | C12 | H12 | 116.3° | 120.0° |
| C14 | C13 | C15 | 119.1° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.4° | 109.5° |
| C13 | C14 | H14B | 109.4° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.4° | 109.4° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| HX | CX | HXA | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OX | P | O1P | O2P | 118.9° | 120.0° |
| OX | P | O1P | O3P | 111.8° | 120.0° |
| OX | P | O2P | O3P | 111.5° | 120.0° |
| P | OX | CX | CY | 158.7° | 180.0° |
| P | OX | CX | HX | 39.2° | 60.0° |
| P | OX | CX | HXA | 81.9° | 60.1° |
| OX | P | O2P | H2P | 120.4° | 180.0° |
| OX | P | O3P | H3P | 116.5° | 60.1° |
| O1P | P | O2P | O3P | 128.0° | 120.0° |
| O1P | P | OX | CX | 42.6° | 55.0° |
| O1P | P | O2P | H2P | 0.0° | 60.0° |
| O1P | P | O3P | H3P | 0.0° | 179.9° |
| O2P | P | OX | CX | 80.2° | 175.0° |
| O2P | P | O3P | H3P | 129.0° | 59.9° |
| O3P | P | OX | CX | 160.4° | 65.0° |
| O3P | P | O2P | H2P | 128.0° | 60.1° |
| C2 | C1 | OY | H1 | 119.8° | 120.0° |
| C2 | C1 | OY | H1A | 119.8° | 120.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 178.3° | 176.0° |
| C1 | C2 | C3 | C5 | 0.5° | 3.9° |
| C2 | C1 | OY | CY | 18.8° | 180.0° |
| C2 | C1 | H1 | H1A | 120.7° | 120.0° |
| OY | C1 | C2 | C3 | 113.9° | 135.1° |
| C1 | OY | CY | CX | 177.3° | 150.0° |
| C1 | OY | CY | CZ | 54.3° | 90.0° |
| OY | C1 | H1 | H1A | 120.7° | 120.0° |
| OY | C1 | C2 | H2 | 66.1° | 45.0° |
| C1 | OY | CY | HY | 65.8° | 30.0° |
| C2 | C3 | C4 | C5 | 179.0° | 179.9° |
| C2 | C3 | C5 | C6 | 95.8° | 91.6° |
| C3 | C2 | C1 | H1 | 5.8° | 15.1° |
| C3 | C2 | C1 | H1A | 126.3° | 104.9° |
| C2 | C3 | C4 | H4 | 180.0° | 90.0° |
| C2 | C3 | C4 | H4A | 60.0° | 150.0° |
| C2 | C3 | C4 | H4B | 60.0° | 30.0° |
| C2 | C3 | C5 | H5 | 24.5° | 148.4° |
| C2 | C3 | C5 | H5A | 143.9° | 28.4° |
| C4 | C3 | C5 | C6 | 85.4° | 88.4° |
| C4 | C3 | C2 | H2 | 1.7° | 4.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.1° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | C5 | H5 | 154.3° | 31.7° |
| C4 | C3 | C5 | H5A | 34.9° | 151.6° |
| C3 | C5 | C6 | H5 | 120.3° | 120.0° |
| C3 | C5 | C6 | H5A | 120.3° | 120.0° |
| C3 | C5 | C6 | C7 | 83.2° | 180.0° |
| C5 | C3 | C2 | H2 | 179.4° | 176.1° |
| C5 | C3 | C4 | H4 | 1.0° | 90.0° |
| C5 | C3 | C4 | H4A | 119.0° | 30.0° |
| C5 | C3 | C4 | H4B | 121.0° | 150.0° |
| C3 | C5 | H5 | H5A | 119.0° | 119.9° |
| C3 | C5 | C6 | H6 | 37.3° | 60.0° |
| C3 | C5 | C6 | H6A | 156.4° | 60.0° |
| C5 | C6 | C7 | H6 | 120.4° | 120.0° |
| C5 | C6 | C7 | H6A | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 117.1° | 126.9° |
| C6 | C5 | H5 | H5A | 119.1° | 120.0° |
| C5 | C6 | H6 | H6A | 118.8° | 120.0° |
| C5 | C6 | C7 | H7 | 62.9° | 53.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 6.2° |
| C6 | C7 | C8 | C10 | 179.5° | 173.7° |
| C7 | C6 | C5 | H5 | 156.5° | 60.0° |
| C7 | C6 | C5 | H5A | 37.1° | 60.0° |
| C7 | C6 | H6 | H6A | 118.8° | 120.1° |
| C7 | C8 | C9 | C10 | 179.4° | 179.9° |
| C7 | C8 | C10 | C11 | 126.2° | 95.0° |
| C8 | C7 | C6 | H6 | 3.3° | 113.1° |
| C8 | C7 | C6 | H6A | 122.5° | 6.9° |
| C7 | C8 | C9 | H9 | 180.0° | 84.4° |
| C7 | C8 | C9 | H9A | 60.0° | 155.6° |
| C7 | C8 | C9 | H9B | 60.0° | 35.7° |
| C7 | C8 | C10 | H10 | 113.0° | 145.0° |
| C7 | C8 | C10 | H10A | 5.4° | 24.9° |
| C9 | C8 | C10 | C11 | 54.3° | 85.0° |
| C9 | C8 | C7 | H7 | 179.9° | 173.7° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9B | 120.0° | 119.9° |
| C9 | C8 | C10 | H10 | 66.5° | 34.9° |
| C9 | C8 | C10 | H10A | 175.1° | 155.0° |
| C8 | C10 | C11 | H10 | 120.8° | 120.0° |
| C8 | C10 | C11 | H10A | 120.8° | 120.0° |
| C8 | C10 | C11 | C12 | 67.8° | 180.0° |
| C10 | C8 | C7 | H7 | 0.5° | 6.4° |
| C10 | C8 | C9 | H9 | 0.6° | 95.5° |
| C10 | C8 | C9 | H9A | 120.6° | 24.5° |
| C10 | C8 | C9 | H9B | 119.4° | 144.4° |
| C8 | C10 | H10 | H10A | 117.5° | 120.0° |
| C8 | C10 | C11 | H11 | 52.8° | 60.0° |
| C8 | C10 | C11 | H11A | 171.7° | 60.0° |
| OX | CX | CY | HX | 119.4° | 120.1° |
| OX | CX | CY | HXA | 119.4° | 119.9° |
| OX | CX | CY | OY | 65.5° | 65.0° |
| OX | CX | CY | CZ | 167.2° | 55.1° |
| OX | CX | HX | HXA | 121.6° | 120.0° |
| OX | CX | CY | HY | 52.7° | 175.1° |
| CX | CY | OY | CZ | 122.9° | 120.0° |
| CX | CY | OY | HY | 116.9° | 120.0° |
| CX | CY | CZ | HY | 114.3° | 120.0° |
| CX | CY | CZ | O1Z | 86.9° | 65.0° |
| CX | CY | CZ | O2Z | 95.5° | 115.0° |
| CY | CX | HX | HXA | 121.7° | 120.0° |
| OY | CY | CZ | HY | 121.0° | 120.0° |
| OY | CY | CZ | O1Z | 148.4° | 175.0° |
| OY | CY | CZ | O2Z | 29.3° | 5.0° |
| CY | OY | C1 | H1 | 101.0° | 60.0° |
| CY | OY | C1 | H1A | 138.5° | 60.0° |
| OY | CY | CX | HX | 53.9° | 175.0° |
| OY | CY | CX | HXA | 175.1° | 55.0° |
| CY | CZ | O1Z | O2Z | 177.5° | 180.0° |
| CZ | CY | CX | HX | 73.3° | 65.0° |
| CZ | CY | CX | HXA | 47.8° | 175.0° |
| CY | CZ | O1Z | H1Z | 177.6° | 180.0° |
| O1Z | CZ | CY | HY | 27.4° | 55.1° |
| O2Z | CZ | CY | HY | 150.3° | 125.0° |
| O2Z | CZ | O1Z | H1Z | 0.0° | 0.0° |
| C10 | C11 | C12 | H11 | 120.5° | 120.0° |
| C10 | C11 | C12 | H11A | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 124.7° | 116.2° |
| C11 | C10 | H10 | H10A | 117.5° | 120.0° |
| C10 | C11 | H11 | H11A | 118.4° | 120.0° |
| C10 | C11 | C12 | H12 | 55.3° | 63.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.0° | 0.8° |
| C11 | C12 | C13 | C15 | 179.3° | 179.2° |
| C12 | C11 | C10 | H10 | 171.4° | 60.0° |
| C12 | C11 | C10 | H10A | 53.0° | 60.0° |
| C12 | C11 | H11 | H11A | 118.4° | 120.0° |
| C12 | C13 | C14 | C15 | 178.2° | 180.0° |
| C13 | C12 | C11 | H11 | 4.2° | 3.7° |
| C13 | C12 | C11 | H11A | 114.8° | 123.7° |
| C12 | C13 | C14 | H14 | 180.0° | 84.2° |
| C12 | C13 | C14 | H14A | 60.0° | 155.7° |
| C12 | C13 | C14 | H14B | 60.0° | 35.7° |
| C12 | C13 | C15 | H15 | 180.0° | 90.0° |
| C12 | C13 | C15 | H15A | 60.0° | 150.0° |
| C12 | C13 | C15 | H15B | 60.0° | 30.0° |
| C14 | C13 | C12 | H12 | 179.0° | 179.1° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C13 | C15 | H15 | 1.7° | 90.0° |
| C14 | C13 | C15 | H15A | 121.7° | 30.0° |
| C14 | C13 | C15 | H15B | 118.3° | 150.0° |
| C15 | C13 | C12 | H12 | 0.7° | 0.9° |
| C15 | C13 | C14 | H14 | 1.8° | 95.8° |
| C15 | C13 | C14 | H14A | 118.2° | 24.3° |
| C15 | C13 | C14 | H14B | 121.8° | 144.3° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 174.1° | 165.0° |
| H1A | C1 | C2 | H2 | 53.7° | 75.0° |
| H4 | C4 | H4A | H4B | 120.0° | 119.9° |
| H5 | C5 | C6 | H6 | 83.0° | 180.0° |
| H5 | C5 | C6 | H6A | 36.1° | 60.0° |
| H5A | C5 | C6 | H6 | 157.6° | 60.0° |
| H5A | C5 | C6 | H6A | 83.3° | 179.9° |
| H6 | C6 | C7 | H7 | 176.7° | 66.8° |
| H6A | C6 | C7 | H7 | 57.5° | 173.2° |
| H9 | C9 | H9A | H9B | 120.0° | 120.1° |
| HX | CX | CY | HY | 172.1° | 55.0° |
| HXA | CX | CY | HY | 66.7° | 65.0° |
| H10 | C10 | C11 | H11 | 68.0° | 180.0° |
| H10 | C10 | C11 | H11A | 50.9° | 60.0° |
| H10A | C10 | C11 | H11 | 173.6° | 59.9° |
| H10A | C10 | C11 | H11A | 67.5° | 179.9° |
| H11 | C11 | C12 | H12 | 175.8° | 176.4° |
| H11A | C11 | C12 | H12 | 65.2° | 56.3° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
