MLP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.27Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.26Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | N4 | sing | 1.47Å | 1.36Å | |
| C3 | P5 | sing | 1.82Å | 1.79Å | |
| N4 | HN41 | sing | 1.01Å | 1.02Å | |
| N4 | HN42 | sing | 1.01Å | 1.02Å | |
| P5 | O6 | sing | 1.61Å | 1.58Å | |
| P5 | O7 | sing | 1.55Å | 1.48Å | |
| P5 | O8 | doub | 1.54Å | 1.56Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 51.6° | 60.0° |
| C2 | C1 | H11 | 140.1° | 117.5° |
| C2 | C1 | H12 | 140.1° | 117.5° |
| C1 | C2 | C3 | 76.0° | 60.0° |
| C1 | C2 | H21 | 126.5° | 117.5° |
| C1 | C2 | H22 | 126.4° | 117.4° |
| C3 | C1 | H11 | 140.0° | 117.5° |
| C3 | C1 | H12 | 140.1° | 117.5° |
| C1 | C3 | C2 | 52.5° | 60.0° |
| C1 | C3 | N4 | 113.3° | 117.5° |
| C1 | C3 | P5 | 110.6° | 117.5° |
| H11 | C1 | H12 | 63.2° | 115.5° |
| C3 | C2 | H21 | 126.4° | 117.5° |
| C3 | C2 | H22 | 126.5° | 117.4° |
| C2 | C3 | N4 | 127.8° | 117.5° |
| C2 | C3 | P5 | 119.4° | 117.5° |
| H21 | C2 | H22 | 82.1° | 115.6° |
| N4 | C3 | P5 | 112.5° | 115.5° |
| C3 | N4 | HN41 | 113.3° | 106.7° |
| C3 | N4 | HN42 | 110.9° | 106.7° |
| C3 | P5 | O6 | 101.4° | 109.5° |
| C3 | P5 | O7 | 103.1° | 109.5° |
| C3 | P5 | O8 | 112.7° | 109.5° |
| HN41 | N4 | HN42 | 110.8° | 106.7° |
| O6 | P5 | O7 | 120.3° | 109.4° |
| O6 | P5 | O8 | 109.6° | 109.5° |
| P5 | O6 | HO6 | 101.5° | 106.8° |
| O7 | P5 | O8 | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H11 | 125.3° | 107.6° |
| C2 | C1 | C3 | H12 | 125.3° | 107.5° |
| C2 | C1 | H11 | H12 | 137.4° | 145.8° |
| C1 | C2 | C3 | H21 | 125.2° | 107.5° |
| C1 | C2 | C3 | H22 | 125.2° | 107.4° |
| C1 | C2 | H21 | H22 | 130.1° | 145.7° |
| C2 | C1 | C3 | N4 | 120.7° | 107.4° |
| C2 | C1 | C3 | P5 | 111.9° | 107.5° |
| C3 | C1 | H11 | H12 | 137.3° | 145.6° |
| C1 | C3 | N4 | P5 | 126.4° | 145.7° |
| C1 | C3 | N4 | HN41 | 180.0° | 180.0° |
| C1 | C3 | N4 | HN42 | 54.7° | 66.1° |
| C1 | C3 | P5 | O6 | 87.0° | 164.9° |
| C1 | C3 | P5 | O7 | 38.2° | 44.9° |
| C1 | C3 | P5 | O8 | 155.8° | 75.1° |
| H11 | C1 | C2 | H21 | 109.6° | 145.0° |
| H11 | C1 | C2 | H22 | 0.0° | 0.0° |
| H11 | C1 | C3 | N4 | 114.0° | 145.0° |
| H11 | C1 | C3 | P5 | 13.4° | 0.1° |
| H12 | C1 | C2 | H21 | 0.0° | 0.0° |
| H12 | C1 | C2 | H22 | 109.5° | 145.1° |
| H12 | C1 | C3 | N4 | 4.6° | 0.1° |
| H12 | C1 | C3 | P5 | 122.8° | 145.0° |
| C3 | C2 | H21 | H22 | 130.1° | 145.7° |
| C2 | C3 | N4 | P5 | 174.0° | 145.6° |
| C2 | C3 | N4 | HN41 | 120.4° | 111.4° |
| C2 | C3 | N4 | HN42 | 4.9° | 2.5° |
| C2 | C3 | P5 | O6 | 144.7° | 96.2° |
| C2 | C3 | P5 | O7 | 19.5° | 23.8° |
| C2 | C3 | P5 | O8 | 98.2° | 143.8° |
| H21 | C2 | C3 | N4 | 33.3° | 0.1° |
| H21 | C2 | C3 | P5 | 140.4° | 145.0° |
| H22 | C2 | C3 | N4 | 142.8° | 145.0° |
| H22 | C2 | C3 | P5 | 30.8° | 0.1° |
| C3 | N4 | HN41 | HN42 | 125.4° | 113.8° |
| N4 | C3 | P5 | O6 | 40.8° | 49.4° |
| N4 | C3 | P5 | O7 | 166.0° | 169.4° |
| N4 | C3 | P5 | O8 | 76.4° | 70.6° |
| P5 | C3 | N4 | HN41 | 53.6° | 34.3° |
| P5 | C3 | N4 | HN42 | 178.9° | 148.1° |
| C3 | P5 | O6 | O7 | 112.8° | 120.0° |
| C3 | P5 | O6 | O8 | 119.4° | 120.0° |
| C3 | P5 | O7 | O8 | 120.1° | 120.0° |
| C3 | P5 | O6 | HO6 | 180.0° | 179.9° |
| O6 | P5 | O7 | O8 | 128.0° | 120.0° |
| O7 | P5 | O6 | HO6 | 67.2° | 60.1° |
| O8 | P5 | O6 | HO6 | 60.6° | 59.9° |
