JLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | P10 | doub | 1.48Å | 1.54Å | |
| O14 | P10 | sing | 1.61Å | 1.54Å | |
| P10 | O12 | sing | 1.61Å | 1.53Å | |
| P10 | C9 | sing | 1.82Å | 1.84Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C5 | sing | 1.53Å | 1.56Å | |
| O1 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | O6 | sing | 1.43Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O6 | C1 | sing | 1.43Å | 1.48Å | |
| C3 | O2 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C7 | sing | 1.53Å | 1.57Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C7 | P11 | sing | 1.82Å | 1.87Å | |
| C2 | O3 | sing | 1.43Å | 1.45Å | |
| O18 | P11 | doub | 1.48Å | 1.52Å | |
| P11 | O17 | sing | 1.61Å | 1.53Å | |
| P11 | O16 | sing | 1.61Å | 1.55Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å | |
| O17 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | P10 | O14 | 107.5° | 109.4° |
| O15 | P10 | O12 | 110.6° | 109.4° |
| O15 | P10 | C9 | 112.0° | 109.5° |
| O14 | P10 | O12 | 109.9° | 109.5° |
| O14 | P10 | C9 | 108.4° | 109.5° |
| P10 | O14 | H16 | 109.5° | 114.0° |
| O12 | P10 | C9 | 108.5° | 109.5° |
| P10 | O12 | H15 | 109.5° | 114.0° |
| P10 | C9 | C8 | 115.0° | 109.5° |
| P10 | C9 | H8 | 108.1° | 109.5° |
| P10 | C9 | H9 | 108.1° | 109.5° |
| C9 | C8 | C5 | 117.4° | 109.5° |
| C9 | C8 | H5 | 107.5° | 109.5° |
| C9 | C8 | H6 | 107.5° | 109.5° |
| C8 | C9 | H8 | 108.1° | 109.5° |
| C8 | C9 | H9 | 108.1° | 109.5° |
| C8 | C5 | C4 | 108.8° | 109.5° |
| C8 | C5 | O6 | 118.3° | 109.5° |
| C8 | C5 | H2 | 105.9° | 109.5° |
| C5 | C8 | H5 | 107.5° | 109.5° |
| C5 | C8 | H6 | 107.4° | 109.4° |
| O1 | C4 | C5 | 108.5° | 109.6° |
| O1 | C4 | C3 | 110.9° | 109.5° |
| O1 | C4 | H1 | 109.8° | 109.5° |
| C4 | O1 | H10 | 109.5° | 114.0° |
| C4 | C5 | O6 | 109.9° | 109.4° |
| C5 | C4 | C3 | 110.7° | 109.2° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C4 | C5 | H2 | 106.2° | 109.5° |
| C5 | O6 | C1 | 119.7° | 114.1° |
| O6 | C5 | H2 | 107.0° | 109.5° |
| C4 | C3 | O2 | 113.8° | 109.5° |
| C4 | C3 | C2 | 108.3° | 109.1° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C4 | C3 | H13 | 107.1° | 109.6° |
| O6 | C1 | C7 | 109.6° | 109.5° |
| O6 | C1 | C2 | 109.9° | 109.4° |
| O6 | C1 | H11 | 106.0° | 109.5° |
| O2 | C3 | C2 | 111.9° | 109.5° |
| C3 | O2 | H7 | 109.5° | 114.0° |
| O2 | C3 | H13 | 108.3° | 109.5° |
| C3 | C2 | C1 | 106.1° | 109.1° |
| C3 | C2 | O3 | 108.5° | 109.6° |
| C3 | C2 | H12 | 108.0° | 109.6° |
| C2 | C3 | H13 | 107.1° | 109.6° |
| C7 | C1 | C2 | 120.0° | 109.5° |
| C1 | C7 | P11 | 125.1° | 109.5° |
| C1 | C7 | H3 | 105.4° | 109.4° |
| C1 | C7 | H4 | 105.4° | 109.5° |
| C7 | C1 | H11 | 105.1° | 109.5° |
| C1 | C2 | O3 | 117.2° | 109.5° |
| C2 | C1 | H11 | 105.1° | 109.4° |
| C1 | C2 | H12 | 107.6° | 109.5° |
| C7 | P11 | O18 | 102.5° | 109.4° |
| C7 | P11 | O17 | 115.5° | 109.5° |
| C7 | P11 | O16 | 111.1° | 109.5° |
| P11 | C7 | H3 | 105.4° | 109.5° |
| P11 | C7 | H4 | 105.4° | 109.5° |
| O3 | C2 | H12 | 109.1° | 109.5° |
| C2 | O3 | H14 | 109.5° | 114.0° |
| O18 | P11 | O17 | 107.4° | 109.5° |
| O18 | P11 | O16 | 111.1° | 109.5° |
| O17 | P11 | O16 | 109.1° | 109.5° |
| P11 | O17 | H18 | 109.5° | 114.0° |
| P11 | O16 | H17 | 109.5° | 114.1° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | P10 | O14 | O12 | 120.4° | 120.0° |
| O15 | P10 | O14 | C9 | 121.2° | 120.0° |
| O15 | P10 | O12 | C9 | 123.1° | 120.0° |
| O15 | P10 | C9 | C8 | 58.2° | 55.0° |
| O15 | P10 | C9 | H8 | 62.6° | 175.0° |
| O15 | P10 | C9 | H9 | 179.0° | 65.0° |
| O15 | P10 | O12 | H15 | 0.0° | 180.0° |
| O15 | P10 | O14 | H16 | 0.0° | 60.0° |
| O14 | P10 | O12 | C9 | 118.3° | 120.0° |
| O14 | P10 | C9 | C8 | 60.2° | 175.0° |
| O14 | P10 | C9 | H8 | 178.9° | 65.0° |
| O14 | P10 | C9 | H9 | 60.6° | 55.0° |
| O14 | P10 | O12 | H15 | 118.6° | 60.0° |
| O12 | P10 | C9 | C8 | 179.5° | 65.0° |
| O12 | P10 | C9 | H8 | 59.6° | 55.0° |
| O12 | P10 | C9 | H9 | 58.7° | 175.0° |
| O12 | P10 | O14 | H16 | 120.4° | 60.0° |
| P10 | C9 | C8 | H8 | 120.8° | 120.0° |
| P10 | C9 | C8 | H9 | 120.8° | 120.0° |
| P10 | C9 | C8 | C5 | 96.6° | 180.0° |
| P10 | C9 | C8 | H5 | 24.6° | 60.0° |
| P10 | C9 | C8 | H6 | 142.3° | 60.0° |
| P10 | C9 | H8 | H9 | 117.5° | 120.0° |
| C9 | P10 | O12 | H15 | 123.1° | 60.1° |
| C9 | P10 | O14 | H16 | 121.2° | 180.0° |
| C9 | C8 | C5 | H5 | 121.1° | 120.1° |
| C9 | C8 | C5 | H6 | 121.1° | 120.0° |
| C9 | C8 | C5 | C4 | 140.0° | 175.0° |
| C9 | C8 | C5 | O6 | 13.7° | 65.1° |
| C9 | C8 | C5 | H2 | 106.3° | 54.9° |
| C9 | C8 | H5 | H6 | 116.4° | 120.0° |
| C8 | C9 | H8 | H9 | 117.5° | 120.0° |
| C8 | C5 | C4 | O1 | 56.0° | 62.5° |
| C8 | C5 | C4 | O6 | 131.0° | 120.0° |
| C8 | C5 | C4 | H2 | 113.6° | 120.1° |
| C8 | C5 | O6 | H2 | 119.4° | 120.1° |
| C8 | C5 | C4 | C3 | 178.0° | 177.6° |
| C8 | C5 | O6 | C1 | 172.0° | 178.9° |
| C8 | C5 | C4 | H1 | 63.2° | 57.7° |
| C5 | C8 | H5 | H6 | 116.4° | 119.9° |
| C5 | C8 | C9 | H8 | 142.6° | 60.0° |
| C5 | C8 | C9 | H9 | 24.3° | 60.0° |
| O1 | C4 | C5 | C3 | 122.0° | 120.0° |
| O1 | C4 | C5 | H1 | 119.2° | 120.1° |
| O1 | C4 | C5 | O6 | 173.0° | 177.6° |
| O1 | C4 | C3 | H1 | 120.7° | 120.1° |
| O1 | C4 | C3 | O2 | 50.3° | 63.1° |
| O1 | C4 | C3 | C2 | 175.4° | 177.0° |
| O1 | C4 | C5 | H2 | 57.6° | 57.6° |
| O1 | C4 | C3 | H13 | 69.4° | 57.0° |
| C4 | C5 | O6 | H2 | 114.9° | 120.0° |
| C5 | C4 | C3 | H1 | 118.8° | 119.9° |
| C4 | C5 | O6 | C1 | 46.2° | 61.1° |
| C5 | C4 | C3 | O2 | 170.8° | 176.9° |
| C5 | C4 | C3 | C2 | 64.1° | 57.0° |
| C4 | C5 | C8 | H5 | 98.9° | 65.0° |
| C4 | C5 | C8 | H6 | 18.9° | 55.0° |
| C5 | C4 | O1 | H10 | 180.0° | 179.7° |
| C5 | C4 | C3 | H13 | 51.1° | 63.0° |
| O6 | C5 | C4 | C3 | 51.0° | 57.6° |
| C5 | O6 | C1 | C7 | 175.9° | 178.9° |
| C5 | O6 | C1 | C2 | 50.2° | 61.1° |
| O6 | C5 | C4 | H1 | 67.8° | 62.3° |
| O6 | C5 | C8 | H5 | 134.8° | 55.0° |
| O6 | C5 | C8 | H6 | 107.5° | 174.9° |
| C5 | O6 | C1 | H11 | 62.9° | 58.8° |
| C4 | C3 | O2 | C2 | 123.2° | 119.6° |
| C4 | C3 | O2 | H13 | 119.0° | 120.2° |
| C4 | C3 | C2 | H13 | 115.2° | 120.0° |
| C4 | C3 | C2 | C1 | 65.4° | 57.0° |
| C4 | C3 | C2 | O3 | 167.9° | 176.9° |
| C3 | C4 | C5 | H2 | 64.4° | 62.4° |
| C4 | C3 | O2 | H7 | 180.0° | 180.0° |
| C3 | C4 | O1 | H10 | 58.2° | 60.0° |
| C4 | C3 | C2 | H12 | 49.7° | 63.0° |
| O6 | C1 | C2 | C3 | 56.9° | 57.6° |
| O6 | C1 | C7 | C2 | 128.6° | 120.0° |
| O6 | C1 | C7 | H11 | 113.6° | 120.1° |
| O6 | C1 | C2 | H11 | 113.7° | 120.0° |
| O6 | C1 | C7 | P11 | 154.9° | 65.1° |
| O6 | C1 | C2 | O3 | 178.2° | 177.5° |
| C1 | O6 | C5 | H2 | 68.6° | 58.8° |
| O6 | C1 | C7 | H3 | 32.8° | 175.0° |
| O6 | C1 | C7 | H4 | 83.1° | 55.0° |
| O6 | C1 | C2 | H12 | 58.5° | 62.4° |
| O2 | C3 | C2 | H13 | 118.6° | 120.2° |
| O2 | C3 | C2 | C1 | 168.4° | 176.9° |
| O2 | C3 | C2 | O3 | 41.7° | 63.2° |
| O2 | C3 | C4 | H1 | 70.4° | 56.9° |
| O2 | C3 | C2 | H12 | 76.5° | 56.9° |
| C3 | C2 | C1 | C7 | 174.7° | 177.6° |
| C3 | C2 | C1 | O3 | 121.3° | 119.9° |
| C3 | C2 | C1 | H12 | 115.4° | 120.0° |
| C3 | C2 | O3 | H12 | 117.5° | 120.2° |
| C2 | C3 | C4 | H1 | 54.7° | 62.9° |
| C2 | C3 | O2 | H7 | 56.8° | 60.4° |
| C3 | C2 | C1 | H11 | 56.8° | 62.4° |
| C3 | C2 | O3 | H14 | 180.0° | 60.3° |
| C7 | C1 | C2 | H11 | 117.9° | 120.0° |
| C1 | C7 | P11 | H3 | 122.1° | 120.0° |
| C1 | C7 | P11 | H4 | 122.1° | 120.0° |
| C7 | C1 | C2 | O3 | 53.4° | 62.5° |
| C1 | C7 | P11 | O18 | 138.9° | 55.0° |
| C1 | C7 | P11 | O17 | 22.5° | 175.0° |
| C1 | C7 | P11 | O16 | 102.4° | 65.0° |
| C1 | C7 | H3 | H4 | 113.0° | 120.0° |
| C7 | C1 | C2 | H12 | 69.9° | 57.6° |
| C2 | C1 | C7 | P11 | 26.3° | 175.0° |
| C1 | C2 | O3 | H12 | 122.5° | 120.1° |
| C2 | C1 | C7 | H3 | 95.8° | 55.0° |
| C2 | C1 | C7 | H4 | 148.4° | 65.0° |
| C1 | C2 | C3 | H13 | 49.8° | 63.0° |
| C1 | C2 | O3 | H14 | 60.0° | 180.0° |
| C7 | P11 | O18 | O17 | 122.1° | 120.0° |
| C7 | P11 | O18 | O16 | 118.7° | 120.0° |
| C7 | P11 | O17 | O16 | 125.9° | 120.0° |
| P11 | C7 | H3 | H4 | 113.0° | 120.0° |
| P11 | C7 | C1 | H11 | 91.6° | 55.0° |
| C7 | P11 | O16 | H17 | 113.4° | 60.0° |
| C7 | P11 | O17 | H18 | 113.6° | 180.0° |
| O3 | C2 | C1 | H11 | 64.5° | 57.5° |
| O3 | C2 | C3 | H13 | 76.9° | 56.9° |
| O18 | P11 | O17 | O16 | 120.5° | 120.1° |
| O18 | P11 | C7 | H3 | 99.0° | 175.0° |
| O18 | P11 | C7 | H4 | 16.8° | 65.0° |
| O18 | P11 | O16 | H17 | 0.0° | 179.9° |
| O18 | P11 | O17 | H18 | 0.0° | 60.1° |
| O17 | P11 | C7 | H3 | 144.6° | 65.0° |
| O17 | P11 | C7 | H4 | 99.6° | 55.0° |
| O17 | P11 | O16 | H17 | 118.2° | 60.0° |
| O16 | P11 | C7 | H3 | 19.7° | 55.0° |
| O16 | P11 | C7 | H4 | 135.5° | 175.0° |
| O16 | P11 | O17 | H18 | 120.5° | 60.0° |
| H1 | C4 | C5 | H2 | 176.8° | 177.7° |
| H1 | C4 | O1 | H10 | 61.7° | 60.2° |
| H1 | C4 | C3 | H13 | 169.9° | 177.1° |
| H2 | C5 | C8 | H5 | 14.9° | 175.0° |
| H2 | C5 | C8 | H6 | 132.6° | 65.0° |
| H3 | C7 | C1 | H11 | 146.3° | 65.0° |
| H4 | C7 | C1 | H11 | 30.5° | 175.0° |
| H5 | C8 | C9 | H8 | 96.2° | 180.0° |
| H5 | C8 | C9 | H9 | 145.4° | 60.0° |
| H6 | C8 | C9 | H8 | 21.5° | 60.0° |
| H6 | C8 | C9 | H9 | 96.9° | 180.0° |
| H7 | O2 | C3 | H13 | 61.1° | 59.9° |
| H11 | C1 | C2 | H12 | 172.2° | 177.6° |
| H12 | C2 | C3 | H13 | 164.9° | 177.1° |
| H12 | C2 | O3 | H14 | 62.5° | 59.9° |
