TA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | O5 | sing | 1.43Å | 1.46Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.56Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.44Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | P | sing | 1.61Å | 1.62Å | |
| P | O1P | sing | 1.61Å | 1.52Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| P | O3P | doub | 1.48Å | 1.51Å | |
| O1P | H1P | 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) |
| C1 | O1 | HO1 | 110.7° | 106.8° |
| O1 | C1 | C2 | 110.7° | 109.5° |
| O1 | C1 | H11 | 111.8° | 109.4° |
| O1 | C1 | H12 | 111.8° | 109.5° |
| C2 | C1 | H11 | 111.7° | 109.5° |
| C2 | C1 | H12 | 111.7° | 109.5° |
| C1 | C2 | O2 | 108.9° | 109.8° |
| C1 | C2 | C3 | 112.7° | 109.8° |
| C1 | C2 | O5 | 108.9° | 109.8° |
| H11 | C1 | H12 | 98.6° | 109.5° |
| O2 | C2 | C3 | 107.1° | 109.8° |
| O2 | C2 | O5 | 112.0° | 109.8° |
| C2 | O2 | HO2 | 108.9° | 106.8° |
| C3 | C2 | O5 | 107.2° | 107.7° |
| C2 | C3 | O3 | 115.4° | 111.2° |
| C2 | C3 | C4 | 103.3° | 102.2° |
| C2 | C3 | H3 | 109.2° | 110.8° |
| C2 | O5 | C5 | 107.3° | 110.0° |
| O3 | C3 | C4 | 110.4° | 110.8° |
| O3 | C3 | H3 | 109.2° | 110.7° |
| C3 | O3 | HO3 | 115.4° | 106.8° |
| C4 | C3 | H3 | 109.2° | 110.8° |
| C3 | C4 | O4 | 110.1° | 111.1° |
| C3 | C4 | C5 | 101.5° | 101.0° |
| C3 | C4 | H4 | 110.6° | 111.1° |
| O4 | C4 | C5 | 113.1° | 111.1° |
| O4 | C4 | H4 | 110.6° | 111.0° |
| C4 | O4 | HO4 | 110.1° | 106.8° |
| C5 | C4 | H4 | 110.6° | 111.1° |
| C4 | C5 | O5 | 105.6° | 105.1° |
| C4 | C5 | C6 | 115.4° | 110.4° |
| C4 | C5 | H5 | 106.7° | 110.3° |
| O5 | C5 | C6 | 115.2° | 110.3° |
| O5 | C5 | H5 | 106.7° | 110.3° |
| C6 | C5 | H5 | 106.7° | 110.3° |
| C5 | C6 | O6 | 112.9° | 109.5° |
| C5 | C6 | H61 | 110.9° | 109.5° |
| C5 | C6 | H62 | 110.9° | 109.5° |
| O6 | C6 | H61 | 111.0° | 109.4° |
| O6 | C6 | H62 | 111.0° | 109.5° |
| C6 | O6 | P | 118.2° | 106.8° |
| H61 | C6 | H62 | 99.4° | 109.5° |
| O6 | P | O1P | 102.3° | 109.4° |
| O6 | P | O2P | 105.4° | 109.5° |
| O6 | P | O3P | 105.3° | 109.5° |
| O1P | P | O2P | 115.2° | 109.5° |
| O1P | P | O3P | 115.9° | 109.5° |
| P | O1P | H1P | 109.5° | 106.8° |
| O2P | P | O3P | 111.2° | 109.5° |
| P | O2P | H2P | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.3° | 120.0° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 117.7° | 120.0° |
| O1 | C1 | C2 | O2 | 163.3° | 59.3° |
| O1 | C1 | C2 | C3 | 78.0° | 179.8° |
| O1 | C1 | C2 | O5 | 40.8° | 61.6° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | H11 | 54.7° | 60.0° |
| HO1 | O1 | C1 | H12 | 54.7° | 60.0° |
| C2 | C1 | H11 | H12 | 117.6° | 120.0° |
| C1 | C2 | O2 | C3 | 122.1° | 120.9° |
| C1 | C2 | O2 | O5 | 120.6° | 120.9° |
| C1 | C2 | C3 | O5 | 119.8° | 119.6° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.3° |
| C1 | C2 | C3 | O3 | 105.1° | 100.9° |
| C1 | C2 | C3 | C4 | 134.3° | 140.8° |
| C1 | C2 | C3 | H3 | 18.2° | 22.7° |
| C1 | C2 | O5 | C5 | 111.8° | 117.8° |
| H11 | C1 | C2 | O2 | 38.0° | 179.3° |
| H11 | C1 | C2 | C3 | 156.8° | 59.9° |
| H11 | C1 | C2 | O5 | 84.5° | 58.4° |
| H12 | C1 | C2 | O2 | 71.4° | 60.7° |
| H12 | C1 | C2 | C3 | 47.3° | 60.2° |
| H12 | C1 | C2 | O5 | 166.1° | 178.4° |
| O2 | C2 | C3 | O5 | 120.4° | 119.5° |
| O2 | C2 | C3 | O3 | 14.6° | 20.0° |
| O2 | C2 | C3 | C4 | 105.9° | 98.3° |
| O2 | C2 | C3 | H3 | 138.0° | 143.6° |
| O2 | C2 | O5 | C5 | 127.6° | 121.3° |
| C3 | C2 | O2 | HO2 | 57.9° | 179.8° |
| C2 | C3 | O3 | C4 | 116.6° | 112.9° |
| C2 | C3 | O3 | H3 | 123.4° | 123.6° |
| C2 | C3 | C4 | H3 | 116.0° | 118.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 174.4° |
| C2 | C3 | C4 | O4 | 88.4° | 83.9° |
| C2 | C3 | C4 | C5 | 31.7° | 34.0° |
| C2 | C3 | C4 | H4 | 149.0° | 152.0° |
| C3 | C2 | O5 | C5 | 10.3° | 1.8° |
| O5 | C2 | O2 | HO2 | 59.4° | 61.6° |
| O5 | C2 | C3 | O3 | 135.1° | 139.5° |
| O5 | C2 | C3 | C4 | 14.5° | 21.2° |
| O5 | C2 | C3 | H3 | 101.6° | 96.9° |
| C2 | O5 | C5 | C4 | 31.3° | 24.5° |
| C2 | O5 | C5 | C6 | 159.8° | 143.5° |
| C2 | O5 | C5 | H5 | 82.0° | 94.5° |
| O3 | C3 | C4 | H3 | 120.1° | 123.4° |
| O3 | C3 | C4 | O4 | 35.5° | 34.6° |
| O3 | C3 | C4 | C5 | 155.6° | 152.5° |
| O3 | C3 | C4 | H4 | 87.0° | 89.5° |
| C4 | C3 | O3 | HO3 | 63.4° | 61.5° |
| C3 | C4 | O4 | C5 | 112.8° | 111.6° |
| C3 | C4 | O4 | H4 | 122.5° | 124.1° |
| C3 | C4 | C5 | H4 | 117.4° | 118.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 68.4° |
| C3 | C4 | C5 | O5 | 39.6° | 36.4° |
| C3 | C4 | C5 | C6 | 168.0° | 155.4° |
| C3 | C4 | C5 | H5 | 73.7° | 82.5° |
| H3 | C3 | O3 | HO3 | 56.6° | 62.0° |
| H3 | C3 | C4 | O4 | 155.5° | 158.0° |
| H3 | C3 | C4 | C5 | 84.4° | 84.1° |
| H3 | C3 | C4 | H4 | 33.0° | 33.9° |
| O4 | C4 | C5 | H4 | 124.7° | 124.1° |
| O4 | C4 | C5 | O5 | 78.4° | 81.5° |
| O4 | C4 | C5 | C6 | 50.0° | 37.5° |
| O4 | C4 | C5 | H5 | 168.3° | 159.6° |
| C5 | C4 | O4 | HO4 | 67.2° | 180.0° |
| C4 | C5 | O5 | C6 | 128.6° | 119.0° |
| C4 | C5 | O5 | H5 | 113.2° | 118.9° |
| C4 | C5 | C6 | H5 | 118.3° | 122.2° |
| C4 | C5 | C6 | O6 | 76.0° | 177.8° |
| C4 | C5 | C6 | H61 | 49.3° | 57.8° |
| C4 | C5 | C6 | H62 | 158.7° | 62.2° |
| H4 | C4 | O4 | HO4 | 57.5° | 55.7° |
| H4 | C4 | C5 | O5 | 156.9° | 154.4° |
| H4 | C4 | C5 | C6 | 74.6° | 86.7° |
| H4 | C4 | C5 | H5 | 43.7° | 35.4° |
| O5 | C5 | C6 | H5 | 118.2° | 122.1° |
| O5 | C5 | C6 | O6 | 47.5° | 66.5° |
| O5 | C5 | C6 | H61 | 172.7° | 173.6° |
| O5 | C5 | C6 | H62 | 77.8° | 53.5° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 116.8° | 120.0° |
| C5 | C6 | O6 | P | 179.8° | 180.0° |
| H5 | C5 | C6 | O6 | 165.7° | 55.6° |
| H5 | C5 | C6 | H61 | 69.0° | 64.4° |
| H5 | C5 | C6 | H62 | 40.4° | 175.6° |
| O6 | C6 | H61 | H62 | 116.9° | 120.0° |
| C6 | O6 | P | O1P | 178.0° | 175.0° |
| C6 | O6 | P | O2P | 57.2° | 65.1° |
| C6 | O6 | P | O3P | 60.4° | 55.0° |
| H61 | C6 | O6 | P | 54.9° | 60.0° |
| H62 | C6 | O6 | P | 54.6° | 60.0° |
| O6 | P | O1P | O2P | 113.7° | 119.9° |
| O6 | P | O1P | O3P | 114.0° | 120.0° |
| O6 | P | O2P | O3P | 113.6° | 120.0° |
| O6 | P | O1P | H1P | 79.3° | 180.0° |
| O6 | P | O2P | H2P | 121.9° | 60.0° |
| O1P | P | O2P | O3P | 134.5° | 120.1° |
| O1P | P | O2P | H2P | 10.0° | 60.0° |
| O2P | P | O1P | H1P | 167.0° | 60.0° |
| O3P | P | O1P | H1P | 34.7° | 60.0° |
| O3P | P | O2P | H2P | 124.5° | 180.0° |
