NTJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | doub | 1.51Å | 1.44Å | |
| P1 | N1 | sing | 1.67Å | 1.47Å | |
| P1 | O2 | sing | 1.63Å | 1.44Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2C3 | sing | 1.09Å | 1.10Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.42Å | 1.45Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C4 | H4C3 | sing | 1.10Å | 1.10Å | |
| HP1 | P1 | sing | 1.41Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | N1 | 114.6° | 114.5° |
| O1 | P1 | O2 | 112.6° | 109.6° |
| O1 | P1 | HP1 | 103.4° | 117.5° |
| N1 | P1 | O2 | 109.4° | 105.9° |
| P1 | N1 | C2 | 123.6° | 117.5° |
| P1 | N1 | C1 | 120.0° | 116.3° |
| N1 | P1 | HP1 | 107.1° | 107.0° |
| P1 | O2 | C3 | 116.1° | 118.4° |
| O2 | P1 | HP1 | 109.3° | 100.8° |
| C2 | N1 | C1 | 116.4° | 109.6° |
| N1 | C2 | H2C1 | 109.4° | 110.1° |
| N1 | C2 | H2C2 | 109.5° | 110.2° |
| N1 | C2 | H2C3 | 109.5° | 110.2° |
| N1 | C1 | H1C1 | 109.4° | 110.1° |
| N1 | C1 | H1C2 | 109.5° | 110.2° |
| N1 | C1 | H1C3 | 109.5° | 110.3° |
| H2C1 | C2 | H2C2 | 109.5° | 108.7° |
| H2C1 | C2 | H2C3 | 109.5° | 108.8° |
| H2C2 | C2 | H2C3 | 109.4° | 108.7° |
| H1C1 | C1 | H1C2 | 109.5° | 108.7° |
| H1C1 | C1 | H1C3 | 109.5° | 108.8° |
| H1C2 | C1 | H1C3 | 109.5° | 108.7° |
| O2 | C3 | C4 | 116.2° | 109.0° |
| O2 | C3 | H3C1 | 105.7° | 108.8° |
| O2 | C3 | H3C2 | 107.3° | 108.8° |
| C4 | C3 | H3C1 | 105.7° | 110.5° |
| C4 | C3 | H3C2 | 107.3° | 110.5° |
| C3 | C4 | H4C1 | 109.5° | 110.9° |
| C3 | C4 | H4C2 | 109.5° | 110.6° |
| C3 | C4 | H4C3 | 109.5° | 110.6° |
| H3C1 | C3 | H3C2 | 114.9° | 109.2° |
| H4C1 | C4 | H4C2 | 109.5° | 108.8° |
| H4C1 | C4 | H4C3 | 109.5° | 108.8° |
| H4C2 | C4 | H4C3 | 109.4° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | N1 | O2 | 127.6° | 121.0° |
| O1 | P1 | N1 | HP1 | 114.0° | 132.1° |
| O1 | P1 | O2 | HP1 | 114.3° | 124.5° |
| O1 | P1 | N1 | C2 | 31.4° | 47.9° |
| O1 | P1 | N1 | C1 | 150.7° | 84.9° |
| O1 | P1 | O2 | C3 | 34.1° | 175.4° |
| N1 | P1 | O2 | HP1 | 116.9° | 111.4° |
| P1 | N1 | C2 | C1 | 177.9° | 135.8° |
| P1 | N1 | C2 | H2C1 | 30.6° | 84.2° |
| P1 | N1 | C2 | H2C2 | 89.4° | 35.8° |
| P1 | N1 | C2 | H2C3 | 150.6° | 155.8° |
| P1 | N1 | C1 | H1C1 | 78.8° | 72.6° |
| P1 | N1 | C1 | H1C2 | 161.2° | 47.4° |
| P1 | N1 | C1 | H1C3 | 41.2° | 167.4° |
| N1 | P1 | O2 | C3 | 94.7° | 51.3° |
| O2 | P1 | N1 | C2 | 159.0° | 73.1° |
| O2 | P1 | N1 | C1 | 23.1° | 154.1° |
| P1 | O2 | C3 | C4 | 69.8° | 180.0° |
| P1 | O2 | C3 | H3C1 | 47.1° | 59.4° |
| P1 | O2 | C3 | H3C2 | 170.2° | 59.4° |
| N1 | C2 | H2C1 | H2C2 | 120.0° | 120.8° |
| N1 | C2 | H2C1 | H2C3 | 120.0° | 120.9° |
| N1 | C2 | H2C2 | H2C3 | 120.0° | 120.9° |
| C2 | N1 | C1 | H1C1 | 99.2° | 151.1° |
| C2 | N1 | C1 | H1C2 | 20.7° | 89.0° |
| C2 | N1 | C1 | H1C3 | 140.8° | 31.0° |
| C2 | N1 | P1 | HP1 | 82.6° | 180.0° |
| C1 | N1 | C2 | H2C1 | 147.4° | 51.6° |
| C1 | N1 | C2 | H2C2 | 92.6° | 171.6° |
| C1 | N1 | C2 | H2C3 | 27.4° | 68.4° |
| N1 | C1 | H1C1 | H1C2 | 120.0° | 120.9° |
| N1 | C1 | H1C1 | H1C3 | 120.0° | 120.9° |
| N1 | C1 | H1C2 | H1C3 | 120.0° | 120.9° |
| C1 | N1 | P1 | HP1 | 95.3° | 47.1° |
| H2C1 | C2 | H2C2 | H2C3 | 120.0° | 118.3° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 118.3° |
| O2 | C3 | C4 | H3C1 | 116.9° | 119.5° |
| O2 | C3 | C4 | H3C2 | 120.0° | 119.5° |
| O2 | C3 | H3C1 | H3C2 | 118.1° | 118.6° |
| O2 | C3 | C4 | H4C1 | 80.6° | 180.0° |
| O2 | C3 | C4 | H4C2 | 159.4° | 59.2° |
| O2 | C3 | C4 | H4C3 | 39.4° | 59.1° |
| C3 | O2 | P1 | HP1 | 148.4° | 60.0° |
| C4 | C3 | H3C1 | H3C2 | 118.1° | 121.8° |
| C3 | C4 | H4C1 | H4C2 | 120.0° | 121.9° |
| C3 | C4 | H4C1 | H4C3 | 120.0° | 122.0° |
| C3 | C4 | H4C2 | H4C3 | 120.0° | 120.5° |
| H3C1 | C3 | C4 | H4C1 | 36.4° | 60.5° |
| H3C1 | C3 | C4 | H4C2 | 83.7° | 178.7° |
| H3C1 | C3 | C4 | H4C3 | 156.4° | 60.4° |
| H3C2 | C3 | C4 | H4C1 | 159.5° | 60.5° |
| H3C2 | C3 | C4 | H4C2 | 39.4° | 60.4° |
| H3C2 | C3 | C4 | H4C3 | 80.6° | 178.6° |
| H4C1 | C4 | H4C2 | H4C3 | 120.0° | 117.4° |
