A1LXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C1 | doub | 1.21Å | 1.24Å | |
| C1 | O1B | sing | 1.34Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C2 | O5 | sing | 1.44Å | 1.43Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| O5 | C5 | sing | 1.44Å | 1.43Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O1B | H6 | sing | 0.97Å | 0.95Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 120.9° | 120.0° |
| O1A | C1 | C2 | 121.1° | 120.0° |
| O1B | C1 | C2 | 117.1° | 120.0° |
| C1 | O1B | H6 | 109.5° | 117.0° |
| C1 | C2 | O2 | 110.7° | 110.3° |
| C1 | C2 | C3 | 109.2° | 110.4° |
| C1 | C2 | O5 | 108.9° | 110.4° |
| O2 | C2 | C3 | 110.5° | 110.3° |
| O2 | C2 | O5 | 110.6° | 110.4° |
| C2 | O2 | H7 | 109.5° | 114.0° |
| C3 | C2 | O5 | 106.8° | 104.8° |
| C2 | C3 | C4 | 104.2° | 104.1° |
| C2 | C3 | H1 | 110.8° | 110.5° |
| C2 | C3 | H2 | 110.8° | 110.5° |
| C2 | O5 | C5 | 110.6° | 105.3° |
| C3 | C4 | O4 | 109.2° | 110.5° |
| C3 | C4 | C5 | 103.4° | 104.0° |
| C4 | C3 | H1 | 110.7° | 110.4° |
| C4 | C3 | H2 | 110.8° | 110.5° |
| C3 | C4 | H3 | 111.3° | 110.5° |
| O4 | C4 | C5 | 108.3° | 110.6° |
| O4 | C4 | H3 | 112.8° | 110.6° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| O5 | C5 | C4 | 105.2° | 104.8° |
| O5 | C5 | H4 | 110.5° | 110.3° |
| O5 | C5 | H5 | 110.5° | 110.5° |
| C5 | C4 | H3 | 111.4° | 110.5° |
| C4 | C5 | H4 | 110.5° | 110.3° |
| C4 | C5 | H5 | 110.5° | 110.4° |
| H1 | C3 | H2 | 109.5° | 110.6° |
| H4 | C5 | H5 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 169.3° | 179.8° |
| O1A | C1 | C2 | O2 | 0.8° | 112.5° |
| O1A | C1 | C2 | C3 | 122.7° | 125.3° |
| O1A | C1 | C2 | O5 | 121.0° | 9.9° |
| O1A | C1 | O1B | H6 | 0.0° | 0.2° |
| O1B | C1 | C2 | O2 | 170.1° | 67.3° |
| O1B | C1 | C2 | C3 | 68.0° | 54.9° |
| O1B | C1 | C2 | O5 | 48.3° | 170.4° |
| C1 | C2 | O2 | C3 | 121.1° | 122.2° |
| C1 | C2 | O2 | O5 | 120.8° | 122.3° |
| C1 | C2 | C3 | O5 | 117.6° | 118.9° |
| C1 | C2 | C3 | C4 | 101.2° | 142.8° |
| C1 | C2 | O5 | C5 | 120.9° | 159.3° |
| C1 | C2 | C3 | H1 | 17.9° | 24.3° |
| C1 | C2 | C3 | H2 | 139.6° | 98.5° |
| C2 | C1 | O1B | H6 | 169.3° | 180.0° |
| C1 | C2 | O2 | H7 | 0.3° | 59.3° |
| O2 | C2 | C3 | O5 | 120.4° | 118.9° |
| O2 | C2 | C3 | C4 | 136.8° | 95.0° |
| O2 | C2 | O5 | C5 | 117.2° | 78.4° |
| O2 | C2 | C3 | H1 | 104.1° | 146.5° |
| O2 | C2 | C3 | H2 | 17.6° | 23.7° |
| C2 | C3 | C4 | H1 | 119.1° | 118.6° |
| C2 | C3 | C4 | H2 | 119.2° | 118.7° |
| C2 | C3 | C4 | O4 | 86.7° | 118.6° |
| C3 | C2 | O5 | C5 | 3.1° | 40.5° |
| C2 | C3 | C4 | C5 | 28.5° | 0.1° |
| C2 | C3 | H1 | H2 | 122.4° | 122.7° |
| C2 | C3 | C4 | H3 | 148.2° | 118.7° |
| C3 | C2 | O2 | H7 | 121.5° | 178.5° |
| O5 | C2 | C3 | C4 | 16.4° | 23.9° |
| C2 | O5 | C5 | C4 | 21.5° | 40.5° |
| O5 | C2 | C3 | H1 | 135.5° | 94.6° |
| O5 | C2 | C3 | H2 | 102.8° | 142.6° |
| C2 | O5 | C5 | H4 | 97.9° | 159.3° |
| C2 | O5 | C5 | H5 | 140.7° | 78.4° |
| O5 | C2 | O2 | H7 | 120.5° | 63.1° |
| C3 | C4 | O4 | C5 | 112.0° | 114.6° |
| C3 | C4 | O4 | H3 | 124.3° | 122.6° |
| C3 | C4 | C5 | O5 | 30.7° | 24.0° |
| C3 | C4 | C5 | H3 | 119.7° | 118.6° |
| C4 | C3 | H1 | H2 | 122.4° | 122.7° |
| C3 | C4 | C5 | H4 | 88.6° | 142.8° |
| C3 | C4 | C5 | H5 | 150.0° | 94.9° |
| C3 | C4 | O4 | H8 | 180.0° | 180.0° |
| O4 | C4 | C5 | O5 | 85.0° | 94.6° |
| O4 | C4 | C5 | H3 | 124.6° | 122.8° |
| O4 | C4 | C3 | H1 | 32.5° | 0.0° |
| O4 | C4 | C3 | H2 | 154.2° | 122.7° |
| O4 | C4 | C5 | H4 | 155.6° | 24.2° |
| O4 | C4 | C5 | H5 | 34.3° | 146.4° |
| O5 | C5 | C4 | H4 | 119.3° | 118.8° |
| O5 | C5 | C4 | H5 | 119.3° | 119.0° |
| O5 | C5 | C4 | H3 | 150.4° | 142.6° |
| O5 | C5 | H4 | H5 | 122.0° | 122.4° |
| C5 | C4 | C3 | H1 | 147.6° | 118.6° |
| C5 | C4 | C3 | H2 | 90.7° | 118.6° |
| C4 | C5 | H4 | H5 | 121.9° | 122.3° |
| C5 | C4 | O4 | H8 | 68.0° | 65.4° |
| H1 | C3 | C4 | H3 | 92.7° | 122.8° |
| H2 | C3 | C4 | H3 | 29.0° | 0.0° |
| H3 | C4 | C5 | H4 | 31.1° | 98.6° |
| H3 | C4 | C5 | H5 | 90.3° | 23.6° |
| H3 | C4 | O4 | H8 | 55.7° | 57.3° |
