KPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | doub | 1.48Å | 1.49Å | |
| P1 | O2 | sing | 1.61Å | 1.54Å | |
| P1 | C1 | sing | 1.82Å | 1.73Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| P1 | O3 | sing | 1.61Å | 1.72Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 117.9° | 109.4° |
| O1 | P1 | C1 | 108.6° | 109.5° |
| O1 | P1 | O3 | 66.0° | 109.5° |
| O2 | P1 | C1 | 109.3° | 109.5° |
| O2 | P1 | O3 | 83.8° | 109.5° |
| P1 | O2 | H1 | 109.5° | 114.0° |
| P1 | C1 | N1 | 105.5° | 109.5° |
| P1 | C1 | C2 | 113.2° | 109.4° |
| C1 | P1 | O3 | 166.6° | 109.5° |
| P1 | C1 | H2 | 110.8° | 109.5° |
| N1 | C1 | C2 | 112.5° | 109.5° |
| N1 | C1 | H2 | 111.4° | 109.5° |
| C1 | N1 | H3 | 109.5° | 111.0° |
| C1 | N1 | H4 | 109.4° | 111.0° |
| C1 | C2 | C3 | 114.0° | 109.5° |
| C2 | C1 | H2 | 103.5° | 109.4° |
| C1 | C2 | H5 | 108.0° | 109.4° |
| C1 | C2 | H6 | 107.0° | 109.5° |
| C2 | C3 | C4 | 112.8° | 109.4° |
| C3 | C2 | H5 | 108.0° | 109.5° |
| C3 | C2 | H6 | 107.0° | 109.5° |
| C2 | C3 | H7 | 108.4° | 109.5° |
| C2 | C3 | H8 | 107.6° | 109.5° |
| C3 | C4 | C5 | 113.2° | 109.4° |
| C4 | C3 | H7 | 108.4° | 109.5° |
| C4 | C3 | H8 | 107.6° | 109.5° |
| C3 | C4 | H9 | 108.2° | 109.4° |
| C3 | C4 | H10 | 107.4° | 109.5° |
| C4 | C5 | N2 | 111.2° | 109.4° |
| C5 | C4 | H9 | 108.3° | 109.5° |
| C5 | C4 | H10 | 107.4° | 109.5° |
| C4 | C5 | H11 | 108.9° | 109.5° |
| C4 | C5 | H12 | 108.5° | 109.5° |
| N2 | C5 | H11 | 108.9° | 109.5° |
| N2 | C5 | H12 | 108.5° | 109.5° |
| C5 | N2 | H13 | 109.5° | 111.1° |
| C5 | N2 | H14 | 109.5° | 111.0° |
| P1 | O3 | H15 | 109.5° | 114.0° |
| H3 | N1 | H4 | 109.5° | 111.0° |
| H5 | C2 | H6 | 113.1° | 109.4° |
| H7 | C3 | H8 | 112.1° | 109.5° |
| H9 | C4 | H10 | 112.4° | 109.5° |
| H11 | C5 | H12 | 110.8° | 109.5° |
| H13 | N2 | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | C1 | 124.5° | 120.0° |
| O1 | P1 | O2 | O3 | 58.6° | 120.0° |
| O1 | P1 | C1 | O3 | 64.0° | 120.0° |
| O1 | P1 | C1 | N1 | 43.9° | 65.0° |
| O1 | P1 | C1 | C2 | 167.4° | 55.1° |
| O1 | P1 | O2 | H1 | 98.1° | 180.0° |
| O1 | P1 | C1 | H2 | 76.8° | 175.0° |
| O1 | P1 | O3 | H15 | 162.6° | 59.9° |
| O2 | P1 | C1 | O3 | 166.2° | 120.0° |
| O2 | P1 | C1 | N1 | 173.7° | 54.9° |
| O2 | P1 | C1 | C2 | 62.8° | 175.0° |
| O2 | P1 | C1 | H2 | 53.0° | 65.0° |
| O2 | P1 | O3 | H15 | 38.4° | 60.0° |
| P1 | C1 | N1 | C2 | 123.9° | 120.0° |
| P1 | C1 | N1 | H2 | 120.3° | 120.0° |
| P1 | C1 | C2 | H2 | 120.0° | 120.0° |
| P1 | C1 | C2 | C3 | 178.9° | 60.0° |
| C1 | P1 | O2 | H1 | 137.3° | 60.0° |
| P1 | C1 | N1 | H3 | 135.1° | 63.9° |
| P1 | C1 | N1 | H4 | 15.0° | 60.0° |
| P1 | C1 | C2 | H5 | 61.1° | 180.0° |
| P1 | C1 | C2 | H6 | 60.9° | 60.1° |
| C1 | P1 | O3 | H15 | 128.6° | 180.0° |
| N1 | C1 | C2 | H2 | 120.4° | 120.0° |
| N1 | C1 | C2 | C3 | 61.6° | 180.0° |
| N1 | C1 | P1 | O3 | 20.1° | 175.0° |
| C1 | N1 | H3 | H4 | 120.0° | 124.0° |
| N1 | C1 | C2 | H5 | 58.4° | 60.0° |
| N1 | C1 | C2 | H6 | 179.6° | 59.9° |
| C1 | C2 | C3 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 118.0° | 120.0° |
| C1 | C2 | C3 | C4 | 176.8° | 180.0° |
| C2 | C1 | P1 | O3 | 103.4° | 65.0° |
| C2 | C1 | N1 | H3 | 101.0° | 176.1° |
| C2 | C1 | N1 | H4 | 138.9° | 60.0° |
| C1 | C2 | H5 | H6 | 118.2° | 119.9° |
| C1 | C2 | C3 | H7 | 56.8° | 60.0° |
| C1 | C2 | C3 | H8 | 64.6° | 60.0° |
| C2 | C3 | C4 | H7 | 120.0° | 120.0° |
| C2 | C3 | C4 | H8 | 118.6° | 120.0° |
| C2 | C3 | C4 | C5 | 178.6° | 180.0° |
| C3 | C2 | C1 | H2 | 58.8° | 60.0° |
| C3 | C2 | H5 | H6 | 118.1° | 120.1° |
| C2 | C3 | H7 | H8 | 118.7° | 120.1° |
| C2 | C3 | C4 | H9 | 58.6° | 60.0° |
| C2 | C3 | C4 | H10 | 63.0° | 60.0° |
| C3 | C4 | C5 | H9 | 120.0° | 120.0° |
| C3 | C4 | C5 | H10 | 118.4° | 120.0° |
| C3 | C4 | C5 | N2 | 179.7° | 180.0° |
| C4 | C3 | C2 | H5 | 63.2° | 60.0° |
| C4 | C3 | C2 | H6 | 58.8° | 60.0° |
| C4 | C3 | H7 | H8 | 118.6° | 120.0° |
| C3 | C4 | H9 | H10 | 118.5° | 120.0° |
| C3 | C4 | C5 | H11 | 60.3° | 60.0° |
| C3 | C4 | C5 | H12 | 60.4° | 60.0° |
| C4 | C5 | N2 | H11 | 120.0° | 120.0° |
| C4 | C5 | N2 | H12 | 119.3° | 120.0° |
| C5 | C4 | C3 | H7 | 61.4° | 60.0° |
| C5 | C4 | C3 | H8 | 60.1° | 60.0° |
| C5 | C4 | H9 | H10 | 118.5° | 120.1° |
| C4 | C5 | H11 | H12 | 119.3° | 120.1° |
| C4 | C5 | N2 | H13 | 151.0° | 56.1° |
| C4 | C5 | N2 | H14 | 31.0° | 180.0° |
| N2 | C5 | C4 | H9 | 59.7° | 60.0° |
| N2 | C5 | C4 | H10 | 62.0° | 60.0° |
| N2 | C5 | H11 | H12 | 119.3° | 120.0° |
| C5 | N2 | H13 | H14 | 120.0° | 123.9° |
| O3 | P1 | O2 | H1 | 39.5° | 60.0° |
| O3 | P1 | C1 | H2 | 140.8° | 55.0° |
| H2 | C1 | N1 | H3 | 14.8° | 56.1° |
| H2 | C1 | N1 | H4 | 105.3° | 180.0° |
| H2 | C1 | C2 | H5 | 178.8° | 60.0° |
| H2 | C1 | C2 | H6 | 59.2° | 179.9° |
| H5 | C2 | C3 | H7 | 176.8° | 180.0° |
| H5 | C2 | C3 | H8 | 55.4° | 59.9° |
| H6 | C2 | C3 | H7 | 61.2° | 60.0° |
| H6 | C2 | C3 | H8 | 177.4° | 180.0° |
| H7 | C3 | C4 | H9 | 178.6° | 180.0° |
| H7 | C3 | C4 | H10 | 57.0° | 60.0° |
| H8 | C3 | C4 | H9 | 59.9° | 60.0° |
| H8 | C3 | C4 | H10 | 178.5° | 180.0° |
| H9 | C4 | C5 | H11 | 179.7° | 180.0° |
| H9 | C4 | C5 | H12 | 59.6° | 59.9° |
| H10 | C4 | C5 | H11 | 58.0° | 59.9° |
| H10 | C4 | C5 | H12 | 178.8° | NaN° |
| H11 | C5 | N2 | H13 | 89.0° | 63.9° |
| H11 | C5 | N2 | H14 | 151.0° | 60.0° |
| H12 | C5 | N2 | H13 | 31.8° | 176.1° |
| H12 | C5 | N2 | H14 | 88.2° | 60.0° |
