FFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | P | doub | 1.48Å | 1.50Å | |
| O | C14 | sing | 1.43Å | 1.43Å | |
| O | P | sing | 1.61Å | 1.59Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C11 | doub | 1.31Å | 1.32Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| O3 | P | sing | 1.61Å | 1.53Å | |
| P | O1 | sing | 1.61Å | 1.56Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | C6 | doub | 1.31Å | 1.36Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C1 | doub | 1.31Å | 1.36Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | P | O | 104.0° | 109.5° |
| O2 | P | O3 | 116.6° | 109.5° |
| O2 | P | O1 | 109.8° | 109.5° |
| C14 | O | P | 121.2° | 123.0° |
| O | C14 | C13 | 107.5° | 109.5° |
| O | C14 | H3 | 110.1° | 109.5° |
| O | C14 | H4 | 110.1° | 109.4° |
| O | P | O3 | 101.9° | 109.4° |
| O | P | O1 | 107.1° | 109.5° |
| C14 | C13 | C11 | 121.2° | 120.0° |
| C13 | C14 | H3 | 110.1° | 109.5° |
| C13 | C14 | H4 | 110.1° | 109.5° |
| C14 | C13 | H5 | 119.4° | 120.0° |
| C13 | C11 | C12 | 117.7° | 120.0° |
| C13 | C11 | C10 | 120.2° | 120.0° |
| C11 | C13 | H5 | 119.4° | 120.0° |
| C12 | C11 | C10 | 122.1° | 120.0° |
| C11 | C12 | H6 | 109.5° | 109.5° |
| C11 | C12 | H7 | 109.4° | 109.4° |
| C11 | C12 | H8 | 109.5° | 109.5° |
| O3 | P | O1 | 116.0° | 109.4° |
| P | O3 | H1 | 109.5° | 114.1° |
| P | O1 | H2 | 109.5° | 114.0° |
| C11 | C10 | C9 | 112.3° | 109.5° |
| C11 | C10 | H9 | 108.5° | 109.4° |
| C11 | C10 | H10 | 108.5° | 109.5° |
| C10 | C9 | C8 | 111.1° | 109.5° |
| C9 | C10 | H9 | 108.5° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.5° |
| C10 | C9 | H11 | 108.9° | 109.5° |
| C10 | C9 | H12 | 108.9° | 109.5° |
| C9 | C8 | C6 | 121.1° | 120.0° |
| C8 | C9 | H11 | 108.9° | 109.5° |
| C8 | C9 | H12 | 108.9° | 109.5° |
| C9 | C8 | H13 | 119.4° | 120.0° |
| C8 | C6 | C5 | 118.9° | 120.0° |
| C8 | C6 | C7 | 121.7° | 120.0° |
| C6 | C8 | H13 | 119.4° | 119.9° |
| C6 | C5 | C4 | 113.5° | 109.5° |
| C5 | C6 | C7 | 119.4° | 120.0° |
| C6 | C5 | H17 | 108.1° | 109.4° |
| C6 | C5 | H18 | 108.2° | 109.5° |
| C5 | C4 | C3 | 108.6° | 109.5° |
| C4 | C5 | H17 | 108.2° | 109.5° |
| C4 | C5 | H18 | 108.1° | 109.5° |
| C5 | C4 | H19 | 109.7° | 109.5° |
| C5 | C4 | H20 | 109.8° | 109.4° |
| C6 | C7 | H14 | 109.5° | 109.5° |
| C6 | C7 | H15 | 109.5° | 109.4° |
| C6 | C7 | H16 | 109.5° | 109.5° |
| C4 | C3 | C1 | 123.2° | 120.0° |
| C3 | C4 | H19 | 109.8° | 109.5° |
| C3 | C4 | H20 | 109.7° | 109.5° |
| C4 | C3 | H21 | 118.4° | 120.0° |
| C3 | C1 | C | 118.5° | 120.0° |
| C3 | C1 | C2 | 122.6° | 120.0° |
| C1 | C3 | H21 | 118.4° | 120.0° |
| C | C1 | C2 | 118.9° | 120.0° |
| C1 | C | H25 | 109.5° | 109.4° |
| C1 | C | H26 | 109.5° | 109.5° |
| C1 | C | H27 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.4° |
| C1 | C2 | H24 | 109.5° | 109.5° |
| H3 | C14 | H4 | 108.8° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H6 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 110.4° | 109.4° |
| H11 | C9 | H12 | 110.0° | 109.4° |
| H14 | C7 | H15 | 109.5° | 109.4° |
| H14 | C7 | H16 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.4° | 109.5° |
| H17 | C5 | H18 | 110.7° | 109.4° |
| H19 | C4 | H20 | 109.2° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H24 | 109.4° | 109.5° |
| H23 | C2 | H24 | 109.4° | 109.5° |
| H25 | C | H26 | 109.5° | 109.5° |
| H25 | C | H27 | 109.5° | 109.4° |
| H26 | C | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P | O | C14 | 93.0° | 55.0° |
| O2 | P | O | O3 | 121.6° | 120.0° |
| O2 | P | O | O1 | 116.2° | 120.0° |
| O2 | P | O3 | O1 | 131.7° | 120.0° |
| O2 | P | O3 | H1 | 0.0° | 180.0° |
| O2 | P | O1 | H2 | 0.0° | 59.9° |
| O | C14 | C13 | H3 | 120.0° | 120.0° |
| O | C14 | C13 | H4 | 120.0° | 120.0° |
| O | C14 | C13 | C11 | 146.8° | 135.0° |
| C14 | O | P | O3 | 145.4° | 65.1° |
| C14 | O | P | O1 | 23.2° | 175.0° |
| O | C14 | H3 | H4 | 120.8° | 119.9° |
| O | C14 | C13 | H5 | 33.2° | 44.9° |
| P | O | C14 | C13 | 164.1° | 179.9° |
| O | P | O3 | O1 | 115.9° | 119.9° |
| O | P | O3 | H1 | 112.5° | 59.9° |
| O | P | O1 | H2 | 112.3° | 180.0° |
| P | O | C14 | H3 | 44.0° | 59.9° |
| P | O | C14 | H4 | 75.9° | 60.0° |
| C14 | C13 | C11 | H5 | 180.0° | 180.0° |
| C14 | C13 | C11 | C12 | 178.2° | 176.6° |
| C14 | C13 | C11 | C10 | 0.1° | 3.3° |
| C13 | C14 | H3 | H4 | 120.8° | 120.0° |
| C13 | C11 | C12 | C10 | 178.3° | 179.9° |
| C13 | C11 | C10 | C9 | 129.8° | 93.1° |
| C11 | C13 | C14 | H3 | 26.8° | 104.9° |
| C11 | C13 | C14 | H4 | 93.2° | 15.1° |
| C13 | C11 | C12 | H6 | 180.0° | 90.1° |
| C13 | C11 | C12 | H7 | 60.0° | 150.0° |
| C13 | C11 | C12 | H8 | 60.0° | 30.0° |
| C13 | C11 | C10 | H9 | 9.8° | 146.9° |
| C13 | C11 | C10 | H10 | 110.2° | 27.0° |
| C12 | C11 | C10 | C9 | 52.0° | 86.8° |
| C12 | C11 | C13 | H5 | 1.7° | 3.4° |
| C11 | C12 | H6 | H7 | 120.0° | 119.9° |
| C11 | C12 | H6 | H8 | 120.0° | 120.0° |
| C11 | C12 | H7 | H8 | 120.0° | 120.0° |
| C12 | C11 | C10 | H9 | 172.0° | 33.2° |
| C12 | C11 | C10 | H10 | 68.0° | 153.1° |
| O3 | P | O1 | H2 | 134.8° | 60.1° |
| O1 | P | O3 | H1 | 131.7° | 60.0° |
| C11 | C10 | C9 | H9 | 120.0° | 120.0° |
| C11 | C10 | C9 | H10 | 120.0° | 120.1° |
| C11 | C10 | C9 | C8 | 174.0° | 180.0° |
| C10 | C11 | C13 | H5 | 180.0° | 176.7° |
| C10 | C11 | C12 | H6 | 1.7° | 90.0° |
| C10 | C11 | C12 | H7 | 118.3° | 29.9° |
| C10 | C11 | C12 | H8 | 121.7° | 149.9° |
| C11 | C10 | H9 | H10 | 118.8° | 120.0° |
| C11 | C10 | C9 | H11 | 66.1° | 60.0° |
| C11 | C10 | C9 | H12 | 54.0° | 59.9° |
| C10 | C9 | C8 | H11 | 120.0° | 120.0° |
| C10 | C9 | C8 | H12 | 120.0° | 120.0° |
| C10 | C9 | C8 | C6 | 131.9° | 122.3° |
| C9 | C10 | H9 | H10 | 118.8° | 120.0° |
| C10 | C9 | H11 | H12 | 119.3° | 120.0° |
| C10 | C9 | C8 | H13 | 48.1° | 57.7° |
| C9 | C8 | C6 | H13 | 180.0° | 180.0° |
| C9 | C8 | C6 | C5 | 1.6° | 5.5° |
| C9 | C8 | C6 | C7 | 178.6° | 174.4° |
| C8 | C9 | C10 | H9 | 54.0° | 60.0° |
| C8 | C9 | C10 | H10 | 66.1° | 60.0° |
| C8 | C9 | H11 | H12 | 119.3° | 120.0° |
| C8 | C6 | C5 | C7 | 179.8° | 180.0° |
| C8 | C6 | C5 | C4 | 135.8° | 90.9° |
| C6 | C8 | C9 | H11 | 11.9° | 2.3° |
| C6 | C8 | C9 | H12 | 108.1° | 117.7° |
| C8 | C6 | C7 | H14 | 180.0° | 90.0° |
| C8 | C6 | C7 | H15 | 60.0° | 150.0° |
| C8 | C6 | C7 | H16 | 60.0° | 30.0° |
| C8 | C6 | C5 | H17 | 104.2° | 149.1° |
| C8 | C6 | C5 | H18 | 15.8° | 29.2° |
| C6 | C5 | C4 | H17 | 120.0° | 120.0° |
| C6 | C5 | C4 | H18 | 120.0° | 120.1° |
| C6 | C5 | C4 | C3 | 172.1° | 180.0° |
| C5 | C6 | C8 | H13 | 178.3° | 174.5° |
| C5 | C6 | C7 | H14 | 0.2° | 90.0° |
| C5 | C6 | C7 | H15 | 120.2° | 29.9° |
| C5 | C6 | C7 | H16 | 119.8° | 150.0° |
| C6 | C5 | H17 | H18 | 118.3° | 120.0° |
| C6 | C5 | C4 | H19 | 67.9° | 60.0° |
| C6 | C5 | C4 | H20 | 52.1° | 60.0° |
| C4 | C5 | C6 | C7 | 44.3° | 89.1° |
| C5 | C4 | C3 | H19 | 120.0° | 120.0° |
| C5 | C4 | C3 | H20 | 120.0° | 120.0° |
| C5 | C4 | C3 | C1 | 140.5° | 126.1° |
| C4 | C5 | H17 | H18 | 118.3° | 120.0° |
| C5 | C4 | H19 | H20 | 120.4° | 120.0° |
| C5 | C4 | C3 | H21 | 39.5° | 54.0° |
| C7 | C6 | C8 | H13 | 1.5° | 5.6° |
| C6 | C7 | H14 | H15 | 120.0° | 119.9° |
| C6 | C7 | H14 | H16 | 120.0° | 120.0° |
| C6 | C7 | H15 | H16 | 120.0° | 120.1° |
| C7 | C6 | C5 | H17 | 75.7° | 31.0° |
| C7 | C6 | C5 | H18 | 164.4° | 150.9° |
| C4 | C3 | C1 | H21 | 180.0° | 179.9° |
| C4 | C3 | C1 | C | 178.8° | 174.2° |
| C4 | C3 | C1 | C2 | 0.8° | 5.7° |
| C3 | C4 | C5 | H17 | 52.1° | 60.0° |
| C3 | C4 | C5 | H18 | 67.9° | 59.9° |
| C3 | C4 | H19 | H20 | 120.3° | 120.0° |
| C3 | C1 | C | C2 | 179.6° | 180.0° |
| C1 | C3 | C4 | H19 | 99.6° | 113.8° |
| C1 | C3 | C4 | H20 | 20.4° | 6.2° |
| C3 | C1 | C2 | H22 | 180.0° | 85.0° |
| C3 | C1 | C2 | H23 | 60.0° | 155.0° |
| C3 | C1 | C2 | H24 | 60.0° | 35.0° |
| C3 | C1 | C | H25 | 180.0° | 0.0° |
| C3 | C1 | C | H26 | 60.0° | 120.0° |
| C3 | C1 | C | H27 | 60.0° | 119.9° |
| C | C1 | C3 | H21 | 1.2° | 5.9° |
| C | C1 | C2 | H22 | 0.4° | 95.0° |
| C | C1 | C2 | H23 | 120.4° | 25.0° |
| C | C1 | C2 | H24 | 119.6° | 145.0° |
| C1 | C | H25 | H26 | 120.0° | 120.0° |
| C1 | C | H25 | H27 | 120.0° | 120.0° |
| C1 | C | H26 | H27 | 120.0° | 120.1° |
| C2 | C1 | C3 | H21 | 179.2° | 174.2° |
| C1 | C2 | H22 | H23 | 120.0° | 119.9° |
| C1 | C2 | H22 | H24 | 120.0° | 120.0° |
| C1 | C2 | H23 | H24 | 120.0° | 120.0° |
| C2 | C1 | C | H25 | 0.4° | 179.9° |
| C2 | C1 | C | H26 | 119.6° | 60.1° |
| C2 | C1 | C | H27 | 120.4° | 60.0° |
| H3 | C14 | C13 | H5 | 153.2° | 75.1° |
| H4 | C14 | C13 | H5 | 86.8° | 164.9° |
| H6 | C12 | H7 | H8 | 120.0° | 120.1° |
| H9 | C10 | C9 | H11 | 173.9° | 180.0° |
| H9 | C10 | C9 | H12 | 66.0° | 60.0° |
| H10 | C10 | C9 | H11 | 53.9° | 60.0° |
| H10 | C10 | C9 | H12 | 173.9° | 180.0° |
| H11 | C9 | C8 | H13 | 168.0° | 177.7° |
| H12 | C9 | C8 | H13 | 71.9° | 62.3° |
| H14 | C7 | H15 | H16 | 120.0° | 120.0° |
| H17 | C5 | C4 | H19 | 172.1° | 180.0° |
| H17 | C5 | C4 | H20 | 67.9° | 60.0° |
| H18 | C5 | C4 | H19 | 52.1° | 60.1° |
| H18 | C5 | C4 | H20 | 172.1° | 179.9° |
| H19 | C4 | C3 | H21 | 80.4° | 66.1° |
| H20 | C4 | C3 | H21 | 159.6° | 173.9° |
| H22 | C2 | H23 | H24 | 119.9° | 120.0° |
| H25 | C | H26 | H27 | 120.0° | 120.0° |
