ATJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OA1 | sing | 1.63Å | 1.79Å | |
| P | O1 | doub | 1.51Å | 1.57Å | |
| P | O2B | sing | 1.63Å | 1.59Å | |
| OA1 | H1A1 | sing | 0.98Å | 0.95Å | |
| O2B | C2B | sing | 1.42Å | 1.44Å | |
| C2B | C1B | sing | 1.51Å | 1.53Å | |
| C2B | H2B1 | sing | 1.09Å | 1.10Å | |
| C2B | H2B2 | sing | 1.09Å | 1.10Å | |
| C1B | H1B1 | sing | 1.09Å | 1.10Å | |
| C1B | H1B2 | sing | 1.10Å | 1.10Å | |
| C1B | H1B3 | sing | 1.09Å | 1.10Å | |
| HP1 | P | sing | 1.41Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA1 | P | O1 | 114.8° | 111.7° |
| OA1 | P | O2B | 112.9° | 100.8° |
| P | OA1 | H1A1 | 109.5° | 118.6° |
| OA1 | P | HP1 | 102.8° | 103.8° |
| O1 | P | O2B | 108.7° | 112.1° |
| O1 | P | HP1 | 107.6° | 122.3° |
| P | O2B | C2B | 118.8° | 118.3° |
| O2B | P | HP1 | 109.8° | 103.9° |
| O2B | C2B | C1B | 113.0° | 109.0° |
| O2B | C2B | H2B1 | 107.5° | 108.8° |
| O2B | C2B | H2B2 | 108.3° | 108.8° |
| C1B | C2B | H2B1 | 107.5° | 110.5° |
| C1B | C2B | H2B2 | 108.3° | 110.5° |
| C2B | C1B | H1B1 | 109.4° | 110.9° |
| C2B | C1B | H1B2 | 109.4° | 110.6° |
| C2B | C1B | H1B3 | 109.5° | 110.6° |
| H2B1 | C2B | H2B2 | 112.3° | 109.2° |
| H1B1 | C1B | H1B2 | 109.5° | 108.9° |
| H1B1 | C1B | H1B3 | 109.5° | 108.8° |
| H1B2 | C1B | H1B3 | 109.5° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA1 | P | O1 | O2B | 127.4° | 112.2° |
| OA1 | P | O1 | HP1 | 113.8° | 123.6° |
| OA1 | P | O2B | HP1 | 114.1° | 107.3° |
| OA1 | P | O2B | C2B | 74.4° | 167.2° |
| O1 | P | O2B | HP1 | 117.4° | 133.9° |
| O1 | P | OA1 | H1A1 | 164.4° | 1.9° |
| O1 | P | O2B | C2B | 54.1° | 73.9° |
| O2B | P | OA1 | H1A1 | 70.3° | 117.3° |
| P | O2B | C2B | C1B | 109.3° | 180.0° |
| P | O2B | C2B | H2B1 | 9.1° | 59.4° |
| P | O2B | C2B | H2B2 | 130.7° | 59.5° |
| H1A1 | OA1 | P | HP1 | 47.9° | 135.4° |
| O2B | C2B | C1B | H2B1 | 118.5° | 119.6° |
| O2B | C2B | C1B | H2B2 | 120.0° | 119.5° |
| O2B | C2B | H2B1 | H2B2 | 119.0° | 118.6° |
| O2B | C2B | C1B | H1B1 | 25.1° | 180.0° |
| O2B | C2B | C1B | H1B2 | 94.9° | 59.1° |
| O2B | C2B | C1B | H1B3 | 145.1° | 59.2° |
| C2B | O2B | P | HP1 | 171.5° | 60.0° |
| C1B | C2B | H2B1 | H2B2 | 119.0° | 121.7° |
| C2B | C1B | H1B1 | H1B2 | 120.0° | 121.9° |
| C2B | C1B | H1B1 | H1B3 | 120.0° | 121.9° |
| C2B | C1B | H1B2 | H1B3 | 120.0° | 120.5° |
| H2B1 | C2B | C1B | H1B1 | 143.6° | 60.4° |
| H2B1 | C2B | C1B | H1B2 | 23.6° | 178.7° |
| H2B1 | C2B | C1B | H1B3 | 96.4° | 60.4° |
| H2B2 | C2B | C1B | H1B1 | 94.9° | 60.5° |
| H2B2 | C2B | C1B | H1B2 | 145.1° | 60.4° |
| H2B2 | C2B | C1B | H1B3 | 25.1° | 178.7° |
| H1B1 | C1B | H1B2 | H1B3 | 120.0° | 117.4° |
