TX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P | doub | 1.48Å | 1.52Å | |
| P | O5 | sing | 1.61Å | 1.50Å | |
| P | O6 | sing | 1.61Å | 1.52Å | |
| P | O4 | sing | 1.61Å | 1.63Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.32Å | |
| C1 | N | sing | 1.47Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N | ON | sing | 1.46Å | 1.41Å | |
| N | HN | sing | 1.01Å | 1.02Å | |
| ON | HON | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P | O5 | 110.4° | 109.5° |
| O7 | P | O6 | 112.9° | 109.5° |
| O7 | P | O4 | 104.5° | 109.4° |
| O5 | P | O6 | 117.7° | 109.5° |
| O5 | P | O4 | 100.9° | 109.5° |
| P | O5 | HO5 | 110.4° | 106.8° |
| O6 | P | O4 | 108.9° | 109.4° |
| P | O6 | HO6 | 112.8° | 106.8° |
| P | O4 | C4 | 119.5° | 106.8° |
| O4 | C4 | C3 | 107.4° | 109.4° |
| O4 | C4 | H41 | 113.0° | 109.4° |
| O4 | C4 | H42 | 113.0° | 109.5° |
| C3 | C4 | H41 | 112.9° | 109.5° |
| C3 | C4 | H42 | 113.0° | 109.5° |
| C4 | C3 | O3 | 107.4° | 109.4° |
| C4 | C3 | C2 | 111.1° | 109.4° |
| C4 | C3 | H3 | 111.5° | 109.5° |
| H41 | C4 | H42 | 97.5° | 109.5° |
| O3 | C3 | C2 | 113.9° | 109.5° |
| O3 | C3 | H3 | 108.5° | 109.5° |
| C3 | O3 | HO3 | 107.4° | 106.8° |
| C2 | C3 | H3 | 104.5° | 109.5° |
| C3 | C2 | O2 | 113.7° | 109.5° |
| C3 | C2 | C1 | 109.5° | 109.5° |
| C3 | C2 | H2 | 105.7° | 109.5° |
| O2 | C2 | C1 | 106.6° | 109.5° |
| O2 | C2 | H2 | 108.6° | 109.4° |
| C2 | O2 | HO2 | 113.7° | 106.8° |
| C1 | C2 | H2 | 112.9° | 109.5° |
| C2 | C1 | O1 | 118.1° | 109.5° |
| C2 | C1 | N | 120.4° | 109.5° |
| C2 | C1 | H1 | 115.7° | 109.5° |
| O1 | C1 | N | 121.4° | 109.5° |
| O1 | C1 | H1 | 98.7° | 109.5° |
| C1 | O1 | HO1 | 118.1° | 106.8° |
| N | C1 | H1 | 57.8° | 109.5° |
| C1 | N | ON | 113.4° | 106.7° |
| C1 | N | HN | 110.8° | 106.7° |
| ON | N | HN | 110.7° | 106.7° |
| N | ON | HON | 113.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P | O5 | O6 | 131.6° | 120.0° |
| O7 | P | O5 | O4 | 110.1° | 120.0° |
| O7 | P | O6 | O4 | 115.6° | 119.9° |
| O7 | P | O5 | HO5 | 179.9° | 60.0° |
| O7 | P | O6 | HO6 | 179.9° | 180.0° |
| O7 | P | O4 | C4 | 69.5° | 55.0° |
| O5 | P | O6 | O4 | 114.0° | 120.0° |
| O5 | P | O6 | HO6 | 49.6° | 60.0° |
| O5 | P | O4 | C4 | 175.9° | 175.0° |
| O6 | P | O5 | HO5 | 48.5° | 60.0° |
| O6 | P | O4 | C4 | 51.4° | 65.0° |
| O4 | P | O5 | HO5 | 69.8° | 180.0° |
| O4 | P | O6 | HO6 | 64.4° | 60.1° |
| P | O4 | C4 | C3 | 104.8° | 180.0° |
| P | O4 | C4 | H41 | 130.0° | 60.0° |
| P | O4 | C4 | H42 | 20.5° | 60.0° |
| O4 | C4 | C3 | H41 | 125.2° | 120.0° |
| O4 | C4 | C3 | H42 | 125.3° | 120.0° |
| O4 | C4 | H41 | H42 | 118.9° | 120.0° |
| O4 | C4 | C3 | O3 | 178.4° | 65.0° |
| O4 | C4 | C3 | C2 | 53.1° | 175.0° |
| O4 | C4 | C3 | H3 | 63.0° | 55.0° |
| C3 | C4 | H41 | H42 | 118.9° | 120.0° |
| C4 | C3 | O3 | C2 | 123.5° | 120.0° |
| C4 | C3 | O3 | H3 | 120.6° | 120.0° |
| C4 | C3 | C2 | H3 | 120.3° | 120.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C4 | C3 | C2 | O2 | 60.2° | 55.0° |
| C4 | C3 | C2 | C1 | 179.3° | 175.0° |
| C4 | C3 | C2 | H2 | 58.8° | 65.0° |
| H41 | C4 | C3 | O3 | 53.1° | 54.9° |
| H41 | C4 | C3 | C2 | 72.1° | 65.0° |
| H41 | C4 | C3 | H3 | 171.8° | 175.0° |
| H42 | C4 | C3 | O3 | 56.3° | 175.0° |
| H42 | C4 | C3 | C2 | 178.4° | 55.0° |
| H42 | C4 | C3 | H3 | 62.3° | 65.0° |
| O3 | C3 | C2 | H3 | 118.2° | 120.0° |
| O3 | C3 | C2 | O2 | 61.2° | 65.0° |
| O3 | C3 | C2 | C1 | 57.8° | 55.0° |
| O3 | C3 | C2 | H2 | 179.7° | 175.0° |
| C2 | C3 | O3 | HO3 | 56.4° | 60.0° |
| C3 | C2 | O2 | C1 | 120.7° | 120.0° |
| C3 | C2 | O2 | H2 | 117.4° | 120.0° |
| C3 | C2 | C1 | H2 | 117.5° | 120.0° |
| C3 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C3 | C2 | C1 | O1 | 93.9° | 60.0° |
| C3 | C2 | C1 | N | 88.9° | 180.0° |
| C3 | C2 | C1 | H1 | 22.7° | 60.0° |
| H3 | C3 | O3 | HO3 | 59.4° | 180.0° |
| H3 | C3 | C2 | O2 | 179.4° | 175.0° |
| H3 | C3 | C2 | C1 | 60.4° | 65.0° |
| H3 | C3 | C2 | H2 | 61.5° | 55.0° |
| O2 | C2 | C1 | H2 | 119.2° | 120.0° |
| O2 | C2 | C1 | O1 | 29.5° | 60.0° |
| O2 | C2 | C1 | N | 147.7° | 60.0° |
| O2 | C2 | C1 | H1 | 146.1° | 180.0° |
| C1 | C2 | O2 | HO2 | 59.2° | 60.0° |
| C2 | C1 | O1 | N | 177.2° | 120.0° |
| C2 | C1 | O1 | H1 | 125.4° | 120.0° |
| C2 | C1 | N | H1 | 103.0° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | N | ON | 180.0° | 150.0° |
| C2 | C1 | N | HN | 54.8° | 96.2° |
| H2 | C2 | O2 | HO2 | 62.7° | 180.0° |
| H2 | C2 | C1 | O1 | 148.7° | 180.0° |
| H2 | C2 | C1 | N | 28.5° | 60.0° |
| H2 | C2 | C1 | H1 | 94.7° | 60.0° |
| O1 | C1 | N | H1 | 79.9° | 120.0° |
| O1 | C1 | N | ON | 2.9° | 90.0° |
| O1 | C1 | N | HN | 122.3° | 23.8° |
| N | C1 | O1 | HO1 | 2.8° | 60.0° |
| C1 | N | ON | HN | 125.2° | 113.8° |
| C1 | N | ON | HON | 180.0° | 180.0° |
| H1 | C1 | O1 | HO1 | 54.6° | 180.0° |
| H1 | C1 | N | ON | 77.0° | 30.0° |
| H1 | C1 | N | HN | 157.7° | 143.8° |
| HN | N | ON | HON | 54.7° | 66.2° |
