2D8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.41Å | |
| C2 | P | sing | 1.82Å | 1.82Å | |
| O62 | C6 | doub | 1.21Å | 1.22Å | |
| C4 | P | sing | 1.82Å | 1.81Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| P | O31 | doub | 1.48Å | 1.55Å | |
| P | O32 | sing | 1.61Å | 1.56Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | O61 | sing | 1.34Å | 1.22Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| O32 | H14 | sing | 0.97Å | 0.95Å | |
| O61 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 113.0° | 109.4° |
| C1 | C2 | P | 104.0° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 110.4° | 109.5° |
| N1 | C2 | P | 109.7° | 109.5° |
| C2 | N1 | H7 | 109.5° | 111.0° |
| C2 | N1 | H8 | 109.5° | 111.0° |
| N1 | C2 | H13 | 112.1° | 109.5° |
| C2 | P | C4 | 107.8° | 109.4° |
| C2 | P | O31 | 111.0° | 109.5° |
| C2 | P | O32 | 109.2° | 109.5° |
| P | C2 | H13 | 107.0° | 109.5° |
| O62 | C6 | C5 | 119.4° | 120.0° |
| O62 | C6 | O61 | 123.8° | 120.0° |
| P | C4 | C5 | 114.4° | 109.4° |
| C4 | P | O31 | 107.9° | 109.5° |
| C4 | P | O32 | 114.2° | 109.5° |
| P | C4 | H1 | 108.2° | 109.5° |
| P | C4 | H2 | 108.2° | 109.5° |
| C4 | C5 | C6 | 110.0° | 109.5° |
| C4 | C5 | C7 | 108.1° | 109.5° |
| C5 | C4 | H1 | 108.2° | 109.5° |
| C5 | C4 | H2 | 108.2° | 109.5° |
| C4 | C5 | H3 | 109.0° | 109.5° |
| O31 | P | O32 | 106.8° | 109.5° |
| P | O32 | H14 | 109.5° | 114.0° |
| C5 | C6 | O61 | 116.7° | 120.1° |
| C6 | C5 | C7 | 112.2° | 109.4° |
| C6 | C5 | H3 | 108.7° | 109.4° |
| C6 | O61 | H15 | 109.5° | 117.0° |
| C7 | C5 | H3 | 108.8° | 109.5° |
| C5 | C7 | H4 | 109.5° | 109.5° |
| C5 | C7 | H5 | 109.5° | 109.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.4° |
| H4 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | N1 | H8 | 109.4° | 111.0° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.4° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | P | 115.6° | 120.0° |
| C1 | C2 | N1 | H13 | 125.6° | 120.0° |
| C1 | C2 | P | H13 | 116.9° | 120.0° |
| C1 | C2 | P | C4 | 65.7° | 180.0° |
| C1 | C2 | P | O31 | 52.2° | 60.0° |
| C1 | C2 | P | O32 | 169.7° | 60.0° |
| C1 | C2 | N1 | H7 | 180.0° | 60.0° |
| C1 | C2 | N1 | H8 | 60.0° | 176.1° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| N1 | C2 | P | H13 | 121.9° | 120.0° |
| N1 | C2 | P | C4 | 173.1° | 60.0° |
| N1 | C2 | P | O31 | 69.0° | 180.0° |
| N1 | C2 | P | O32 | 48.5° | 60.0° |
| C2 | N1 | H7 | H8 | 120.0° | 124.0° |
| N1 | C2 | C1 | H10 | 180.0° | 60.0° |
| N1 | C2 | C1 | H11 | 60.0° | 180.0° |
| N1 | C2 | C1 | H12 | 60.0° | 60.0° |
| C2 | P | C4 | O31 | 120.0° | 120.0° |
| C2 | P | C4 | O32 | 121.5° | 120.0° |
| C2 | P | C4 | C5 | 158.5° | 175.0° |
| C2 | P | O31 | O32 | 119.0° | 120.0° |
| C2 | P | C4 | H1 | 37.7° | 65.0° |
| C2 | P | C4 | H2 | 80.8° | 55.0° |
| P | C2 | N1 | H7 | 64.4° | 60.0° |
| P | C2 | N1 | H8 | 175.6° | 64.0° |
| P | C2 | C1 | H10 | 61.0° | 180.0° |
| P | C2 | C1 | H11 | 59.0° | 60.0° |
| P | C2 | C1 | H12 | 179.0° | 60.0° |
| C2 | P | O32 | H14 | 120.1° | 60.1° |
| O62 | C6 | C5 | C4 | 33.9° | 0.0° |
| O62 | C6 | C5 | O61 | 178.0° | 179.9° |
| O62 | C6 | C5 | C7 | 86.5° | 120.0° |
| O62 | C6 | C5 | H3 | 153.2° | 120.0° |
| O62 | C6 | O61 | H15 | 0.0° | 0.0° |
| P | C4 | C5 | H1 | 120.7° | 120.0° |
| P | C4 | C5 | H2 | 120.7° | 120.0° |
| C4 | P | O31 | O32 | 123.2° | 120.0° |
| P | C4 | C5 | C6 | 80.4° | 165.0° |
| P | C4 | C5 | C7 | 156.8° | 75.0° |
| P | C4 | H1 | H2 | 117.8° | 120.0° |
| P | C4 | C5 | H3 | 38.7° | 45.0° |
| C4 | P | C2 | H13 | 51.2° | 60.0° |
| C4 | P | O32 | H14 | 119.1° | 59.9° |
| C5 | C4 | P | O31 | 38.5° | 55.0° |
| C5 | C4 | P | O32 | 80.0° | 65.0° |
| C4 | C5 | C6 | C7 | 120.4° | 120.0° |
| C4 | C5 | C6 | H3 | 119.3° | 120.0° |
| C4 | C5 | C6 | O61 | 148.1° | 180.0° |
| C4 | C5 | C7 | H3 | 118.2° | 120.0° |
| C5 | C4 | H1 | H2 | 117.7° | 120.0° |
| C4 | C5 | C7 | H4 | 180.0° | 60.0° |
| C4 | C5 | C7 | H5 | 60.0° | 180.0° |
| C4 | C5 | C7 | H6 | 60.0° | 60.0° |
| O31 | P | C4 | H1 | 82.2° | 175.0° |
| O31 | P | C4 | H2 | 159.2° | 65.0° |
| O31 | P | C2 | H13 | 169.1° | 60.0° |
| O31 | P | O32 | H14 | 0.0° | 179.9° |
| O32 | P | C4 | H1 | 159.3° | 55.0° |
| O32 | P | C4 | H2 | 40.7° | 175.0° |
| O32 | P | C2 | H13 | 73.4° | 180.0° |
| C6 | C5 | C7 | H3 | 120.3° | 119.9° |
| C6 | C5 | C4 | H1 | 40.4° | 75.0° |
| C6 | C5 | C4 | H2 | 158.9° | 45.0° |
| C6 | C5 | C7 | H4 | 58.5° | 180.0° |
| C6 | C5 | C7 | H5 | 61.5° | 60.0° |
| C6 | C5 | C7 | H6 | 178.5° | 60.0° |
| C5 | C6 | O61 | H15 | 177.9° | 179.9° |
| O61 | C6 | C5 | C7 | 91.5° | 60.0° |
| O61 | C6 | C5 | H3 | 28.8° | 59.9° |
| C7 | C5 | C4 | H1 | 82.5° | 45.0° |
| C7 | C5 | C4 | H2 | 36.0° | 165.0° |
| C5 | C7 | H4 | H5 | 120.0° | 120.0° |
| C5 | C7 | H4 | H6 | 120.0° | 120.0° |
| C5 | C7 | H5 | H6 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 159.4° | 165.0° |
| H2 | C4 | C5 | H3 | 82.0° | 75.0° |
| H3 | C5 | C7 | H4 | 61.8° | 60.0° |
| H3 | C5 | C7 | H5 | 178.2° | 60.0° |
| H3 | C5 | C7 | H6 | 58.2° | 179.9° |
| H4 | C7 | H5 | H6 | 120.0° | 120.0° |
| H7 | N1 | C2 | H13 | 54.3° | 180.0° |
| H8 | N1 | C2 | H13 | 65.6° | 56.1° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H10 | C1 | C2 | H13 | 53.4° | 60.0° |
| H11 | C1 | C2 | H13 | 173.5° | 60.0° |
| H12 | C1 | C2 | H13 | 66.5° | 180.0° |
