A1L1P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O7 | sing | 1.43Å | 1.39Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| O5 | C1 | sing | 1.43Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.45Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C1 | O1 | sing | 1.43Å | 1.35Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | H5 | sing | 0.97Å | 0.95Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C7 | 107.9° | 109.5° |
| O6 | C6 | C5 | 110.9° | 109.5° |
| O6 | C6 | H4 | 111.0° | 109.5° |
| C6 | O6 | H5 | 109.5° | 114.0° |
| C6 | C7 | O7 | 108.4° | 109.5° |
| C7 | C6 | C5 | 108.2° | 109.5° |
| C6 | C7 | H2 | 109.7° | 109.5° |
| C6 | C7 | H3 | 109.7° | 109.4° |
| C7 | C6 | H4 | 109.4° | 109.4° |
| C7 | O7 | H1 | 109.5° | 114.0° |
| O7 | C7 | H2 | 109.8° | 109.5° |
| O7 | C7 | H3 | 109.8° | 109.5° |
| C6 | C5 | O5 | 108.3° | 109.5° |
| C6 | C5 | C4 | 111.5° | 109.4° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C6 | C5 | H6 | 108.7° | 109.4° |
| C5 | O5 | C1 | 111.4° | 114.1° |
| O5 | C5 | C4 | 110.5° | 109.4° |
| O5 | C5 | H6 | 109.5° | 109.5° |
| O5 | C1 | C2 | 112.7° | 109.4° |
| O5 | C1 | O1 | 107.4° | 109.5° |
| O5 | C1 | H7 | 108.9° | 109.4° |
| C5 | C4 | O4 | 109.0° | 109.5° |
| C5 | C4 | C3 | 110.7° | 109.1° |
| C4 | C5 | H6 | 108.4° | 109.5° |
| C5 | C4 | H12 | 109.0° | 109.6° |
| O2 | C2 | C1 | 110.4° | 109.5° |
| O2 | C2 | C3 | 107.3° | 109.6° |
| O2 | C2 | H8 | 110.2° | 109.6° |
| C2 | O2 | H9 | 109.5° | 114.0° |
| O4 | C4 | C3 | 107.8° | 109.5° |
| O4 | C4 | H12 | 110.7° | 109.5° |
| C4 | O4 | H13 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.8° | 109.0° |
| C4 | C3 | O3 | 109.9° | 109.5° |
| C4 | C3 | H10 | 109.2° | 109.6° |
| C3 | C4 | H12 | 109.6° | 109.6° |
| C1 | C2 | C3 | 109.9° | 109.2° |
| C2 | C1 | O1 | 108.8° | 109.5° |
| C2 | C1 | H7 | 108.3° | 109.5° |
| C1 | C2 | H8 | 109.1° | 109.5° |
| C2 | C3 | O3 | 107.8° | 109.5° |
| C3 | C2 | H8 | 110.0° | 109.5° |
| C2 | C3 | H10 | 109.7° | 109.6° |
| O3 | C3 | H10 | 109.5° | 109.6° |
| C3 | O3 | H11 | 109.5° | 113.9° |
| O1 | C1 | H7 | 110.8° | 109.5° |
| C1 | O1 | H14 | 109.5° | 114.0° |
| H2 | C7 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C7 | C5 | 120.0° | 120.0° |
| O6 | C6 | C7 | H4 | 120.8° | 120.0° |
| O6 | C6 | C7 | O7 | 176.1° | 65.0° |
| O6 | C6 | C5 | H4 | 122.7° | 120.0° |
| O6 | C6 | C5 | O5 | 68.3° | 64.9° |
| O6 | C6 | C5 | C4 | 53.5° | 55.0° |
| O6 | C6 | C7 | H2 | 64.0° | 175.0° |
| O6 | C6 | C7 | H3 | 56.3° | 55.0° |
| O6 | C6 | C5 | H6 | 172.9° | 175.0° |
| C6 | C7 | O7 | H2 | 119.8° | 120.1° |
| C6 | C7 | O7 | H3 | 119.8° | 120.0° |
| C7 | C6 | C5 | H4 | 119.2° | 120.0° |
| C7 | C6 | C5 | O5 | 49.8° | 55.1° |
| C7 | C6 | C5 | C4 | 171.6° | 175.0° |
| C6 | C7 | O7 | H1 | 180.0° | 179.9° |
| C6 | C7 | H2 | H3 | 120.4° | 120.0° |
| C7 | C6 | O6 | H5 | 180.0° | 60.1° |
| C7 | C6 | C5 | H6 | 69.0° | 65.0° |
| O7 | C7 | C6 | C5 | 56.1° | 175.0° |
| O7 | C7 | H2 | H3 | 120.5° | 120.0° |
| O7 | C7 | C6 | H4 | 63.1° | 55.0° |
| C6 | C5 | O5 | C4 | 122.4° | 119.9° |
| C6 | C5 | O5 | H6 | 118.3° | 120.0° |
| C6 | C5 | O5 | C1 | 176.8° | 178.9° |
| C6 | C5 | C4 | H6 | 119.6° | 120.0° |
| C6 | C5 | C4 | O4 | 64.1° | 62.5° |
| C6 | C5 | C4 | C3 | 177.5° | 177.6° |
| C5 | C6 | C7 | H2 | 176.0° | 55.0° |
| C5 | C6 | C7 | H3 | 63.7° | 65.0° |
| C5 | C6 | O6 | H5 | 61.6° | 60.0° |
| C6 | C5 | C4 | H12 | 56.8° | 57.6° |
| O5 | C5 | C4 | H6 | 120.0° | 120.1° |
| O5 | C5 | C4 | O4 | 175.5° | 177.5° |
| O5 | C5 | C4 | C3 | 57.0° | 57.6° |
| C5 | O5 | C1 | C2 | 54.3° | 61.2° |
| C5 | O5 | C1 | O1 | 174.1° | 178.9° |
| O5 | C5 | C6 | H4 | 169.0° | 175.1° |
| C5 | O5 | C1 | H7 | 65.9° | 58.8° |
| O5 | C5 | C4 | H12 | 63.6° | 62.3° |
| C1 | O5 | C5 | C4 | 54.5° | 61.2° |
| O5 | C1 | C2 | O2 | 63.3° | 62.3° |
| O5 | C1 | C2 | O1 | 119.1° | 120.0° |
| O5 | C1 | C2 | H7 | 120.5° | 119.9° |
| O5 | C1 | C2 | C3 | 54.8° | 57.7° |
| O5 | C1 | O1 | H7 | 118.8° | 120.0° |
| C1 | O5 | C5 | H6 | 64.9° | 58.9° |
| O5 | C1 | C2 | H8 | 175.4° | 177.5° |
| O5 | C1 | O1 | H14 | 180.0° | 60.0° |
| C5 | C4 | O4 | C3 | 120.3° | 119.6° |
| C5 | C4 | O4 | H12 | 119.9° | 120.2° |
| C5 | C4 | C3 | H12 | 120.3° | 120.0° |
| C5 | C4 | C3 | C2 | 58.6° | 57.0° |
| C5 | C4 | C3 | O3 | 177.7° | 176.8° |
| C4 | C5 | C6 | H4 | 69.2° | 65.0° |
| C5 | C4 | C3 | H10 | 62.3° | 62.9° |
| C5 | C4 | O4 | H13 | 180.0° | 180.0° |
| O2 | C2 | C3 | C4 | 63.4° | 62.9° |
| O2 | C2 | C1 | C3 | 118.2° | 120.0° |
| O2 | C2 | C1 | H8 | 121.2° | 120.2° |
| O2 | C2 | C3 | H8 | 119.9° | 120.2° |
| O2 | C2 | C3 | O3 | 56.9° | 56.9° |
| O2 | C2 | C1 | O1 | 55.7° | 57.7° |
| O2 | C2 | C1 | H7 | 176.2° | 177.8° |
| O2 | C2 | C3 | H10 | 176.1° | 177.2° |
| O4 | C4 | C3 | H12 | 120.5° | 120.1° |
| O4 | C4 | C3 | C2 | 177.8° | 176.9° |
| O4 | C4 | C3 | O3 | 63.2° | 63.3° |
| O4 | C4 | C5 | H6 | 55.5° | 57.4° |
| O4 | C4 | C3 | H10 | 56.9° | 57.0° |
| C4 | C3 | C2 | C1 | 56.7° | 57.0° |
| C4 | C3 | C2 | O3 | 120.3° | 119.8° |
| C4 | C3 | C2 | H10 | 120.6° | 119.9° |
| C4 | C3 | O3 | H10 | 119.9° | 120.2° |
| C3 | C4 | C5 | H6 | 63.0° | 62.4° |
| C4 | C3 | C2 | H8 | 176.8° | 176.9° |
| C4 | C3 | O3 | H11 | 180.0° | 179.5° |
| C3 | C4 | O4 | H13 | 59.7° | 60.3° |
| C1 | C2 | C3 | H8 | 120.1° | 119.8° |
| C1 | C2 | C3 | O3 | 177.0° | 176.8° |
| C2 | C1 | O1 | H7 | 118.9° | 120.1° |
| C1 | C2 | O2 | H9 | 180.0° | 60.0° |
| C1 | C2 | C3 | H10 | 63.9° | 62.9° |
| C2 | C1 | O1 | H14 | 57.7° | 179.9° |
| C2 | C3 | O3 | H10 | 119.2° | 120.3° |
| C3 | C2 | C1 | O1 | 173.9° | 177.6° |
| C3 | C2 | C1 | H7 | 65.7° | 62.3° |
| C3 | C2 | O2 | H9 | 60.3° | 179.7° |
| C2 | C3 | O3 | H11 | 59.1° | 60.0° |
| C2 | C3 | C4 | H12 | 61.7° | 63.0° |
| O3 | C3 | C2 | H8 | 62.9° | 63.3° |
| O3 | C3 | C4 | H12 | 57.4° | 56.9° |
| O1 | C1 | C2 | H8 | 65.5° | 62.5° |
| H1 | O7 | C7 | H2 | 60.2° | 60.0° |
| H1 | O7 | C7 | H3 | 60.1° | 60.0° |
| H2 | C7 | C6 | H4 | 56.8° | 65.0° |
| H3 | C7 | C6 | H4 | 177.1° | 175.0° |
| H4 | C6 | O6 | H5 | 60.2° | 180.0° |
| H4 | C6 | C5 | H6 | 50.2° | 55.0° |
| H6 | C5 | C4 | H12 | 176.4° | 177.6° |
| H7 | C1 | C2 | H8 | 54.9° | 57.6° |
| H7 | C1 | O1 | H14 | 61.2° | 60.0° |
| H8 | C2 | O2 | H9 | 59.4° | 60.2° |
| H8 | C2 | C3 | H10 | 56.2° | 56.9° |
| H10 | C3 | O3 | H11 | 60.1° | 60.2° |
| H10 | C3 | C4 | H12 | 177.4° | 177.1° |
| H12 | C4 | O4 | H13 | 60.1° | 59.9° |
