ALK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O3 | sing | 1.43Å | 1.39Å | |
| O3 | P1 | sing | 1.61Å | 1.56Å | |
| O2 | P1 | doub | 1.48Å | 1.43Å | |
| P1 | O1 | sing | 1.61Å | 1.40Å | |
| P1 | C2 | sing | 1.82Å | 1.83Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O3 | P1 | 126.9° | 123.0° |
| O3 | C5 | H1 | 109.5° | 109.5° |
| O3 | C5 | H2 | 109.5° | 109.4° |
| O3 | C5 | H3 | 109.5° | 109.5° |
| O3 | P1 | O2 | 109.0° | 109.5° |
| O3 | P1 | O1 | 104.2° | 109.5° |
| O3 | P1 | C2 | 105.1° | 109.5° |
| O2 | P1 | O1 | 121.2° | 109.5° |
| O2 | P1 | C2 | 108.9° | 109.5° |
| O1 | P1 | C2 | 107.2° | 109.5° |
| P1 | O1 | H9 | 109.5° | 114.0° |
| P1 | C2 | C3 | 109.1° | 109.5° |
| P1 | C2 | O5 | 105.3° | 109.5° |
| P1 | C2 | H7 | 109.0° | 109.5° |
| C3 | C2 | O5 | 104.8° | 109.4° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| C3 | C2 | H7 | 113.0° | 109.5° |
| O5 | C2 | H7 | 115.2° | 109.5° |
| C2 | O5 | H8 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O3 | P1 | O2 | 64.7° | 55.0° |
| C5 | O3 | P1 | O1 | 66.0° | 65.0° |
| C5 | O3 | P1 | C2 | 178.7° | 175.0° |
| O3 | C5 | H1 | H2 | 120.0° | 120.0° |
| O3 | C5 | H1 | H3 | 120.0° | 120.0° |
| O3 | C5 | H2 | H3 | 120.0° | 120.0° |
| O3 | P1 | O2 | O1 | 120.8° | 120.0° |
| O3 | P1 | O2 | C2 | 114.1° | 120.0° |
| O3 | P1 | O1 | C2 | 111.1° | 120.0° |
| O3 | P1 | C2 | C3 | 54.8° | 60.0° |
| O3 | P1 | C2 | O5 | 166.8° | 180.0° |
| P1 | O3 | C5 | H1 | 180.0° | 60.0° |
| P1 | O3 | C5 | H2 | 60.0° | 60.0° |
| P1 | O3 | C5 | H3 | 60.0° | 180.0° |
| O3 | P1 | C2 | H7 | 69.0° | 60.0° |
| O3 | P1 | O1 | H9 | 123.1° | 60.0° |
| O2 | P1 | O1 | C2 | 125.8° | 120.0° |
| O2 | P1 | C2 | C3 | 61.9° | 60.0° |
| O2 | P1 | C2 | O5 | 50.1° | 59.9° |
| O2 | P1 | C2 | H7 | 174.3° | 180.0° |
| O2 | P1 | O1 | H9 | 0.0° | 179.9° |
| O1 | P1 | C2 | C3 | 165.3° | 180.0° |
| O1 | P1 | C2 | O5 | 82.7° | 60.0° |
| O1 | P1 | C2 | H7 | 41.5° | 60.0° |
| P1 | C2 | C3 | O5 | 112.3° | 120.0° |
| P1 | C2 | C3 | H7 | 121.4° | 120.0° |
| P1 | C2 | O5 | H7 | 120.1° | 120.0° |
| P1 | C2 | C3 | H4 | 180.0° | 180.0° |
| P1 | C2 | C3 | H5 | 60.0° | 60.0° |
| P1 | C2 | C3 | H6 | 60.0° | 60.0° |
| P1 | C2 | O5 | H8 | 23.0° | 180.0° |
| C2 | P1 | O1 | H9 | 125.8° | 60.0° |
| C3 | C2 | O5 | H7 | 124.8° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.1° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | O5 | H8 | 92.0° | 60.0° |
| O5 | C2 | C3 | H4 | 67.7° | 60.1° |
| O5 | C2 | C3 | H5 | 52.3° | 60.0° |
| O5 | C2 | C3 | H6 | 172.3° | 180.0° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H4 | C3 | C2 | H7 | 58.6° | 59.9° |
| H5 | C3 | C2 | H7 | 178.6° | 180.0° |
| H6 | C3 | C2 | H7 | 61.4° | 60.0° |
| H7 | C2 | O5 | H8 | 143.1° | 60.0° |
