A1H2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O5 | sing | 1.43Å | 1.42Å | |
| C3 | O6 | sing | 1.43Å | 1.44Å | |
| O6 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | O8 | sing | 1.43Å | 1.39Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| C2 | C11 | sing | 1.52Å | 1.52Å | |
| C11 | O12 | doub | 1.21Å | 1.21Å | |
| C11 | C9 | sing | 1.51Å | 1.52Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 109.8° | 109.7° |
| O1 | C2 | C11 | 109.3° | 109.7° |
| O1 | C2 | H2 | 110.5° | 109.8° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C2 | C3 | O6 | 110.1° | 109.3° |
| C3 | C2 | C11 | 109.0° | 108.1° |
| C3 | C2 | H2 | 109.0° | 109.8° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C3 | C4 | O5 | 111.6° | 109.5° |
| C4 | C3 | O6 | 106.8° | 109.5° |
| C3 | C4 | H4B | 108.9° | 109.4° |
| C3 | C4 | H4A | 108.9° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| O5 | C4 | H4B | 109.0° | 109.4° |
| O5 | C4 | H4A | 108.9° | 109.5° |
| C4 | O5 | H5 | 109.5° | 114.0° |
| C3 | O6 | C7 | 113.1° | 114.5° |
| O6 | C3 | H3 | 109.7° | 109.6° |
| O6 | C7 | O8 | 110.2° | 109.5° |
| O6 | C7 | C9 | 111.1° | 109.3° |
| O6 | C7 | H7 | 108.9° | 109.6° |
| O8 | C7 | C9 | 109.4° | 109.5° |
| O8 | C7 | H7 | 109.4° | 109.5° |
| C7 | O8 | H8 | 109.5° | 114.0° |
| C7 | C9 | O10 | 110.1° | 109.8° |
| C7 | C9 | C11 | 109.2° | 108.1° |
| C9 | C7 | H7 | 107.6° | 109.5° |
| C7 | C9 | H9 | 108.6° | 109.7° |
| O10 | C9 | C11 | 110.1° | 109.7° |
| O10 | C9 | H9 | 110.1° | 109.8° |
| C9 | O10 | H10 | 109.5° | 114.0° |
| C2 | C11 | O12 | 122.1° | 121.2° |
| C2 | C11 | C9 | 115.9° | 117.5° |
| C11 | C2 | H2 | 109.1° | 109.8° |
| O12 | C11 | C9 | 122.1° | 121.2° |
| C11 | C9 | H9 | 108.7° | 109.7° |
| H4B | C4 | H4A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C11 | 119.8° | 119.6° |
| O1 | C2 | C3 | H2 | 121.2° | 120.7° |
| O1 | C2 | C3 | C4 | 67.0° | 68.2° |
| O1 | C2 | C3 | O6 | 173.7° | 171.9° |
| O1 | C2 | C11 | H2 | 121.0° | 120.7° |
| O1 | C2 | C11 | O12 | 13.0° | 11.9° |
| O1 | C2 | C11 | C9 | 168.5° | 168.0° |
| O1 | C2 | C3 | H3 | 53.6° | 51.9° |
| C2 | C3 | C4 | O6 | 121.2° | 119.8° |
| C2 | C3 | C4 | H3 | 120.5° | 120.1° |
| C2 | C3 | C4 | O5 | 61.5° | 175.0° |
| C2 | C3 | O6 | H3 | 119.5° | 120.0° |
| C2 | C3 | O6 | C7 | 63.7° | 64.9° |
| C3 | C2 | C11 | H2 | 118.9° | 119.7° |
| C3 | C2 | C11 | O12 | 133.1° | 131.5° |
| C3 | C2 | C11 | C9 | 48.4° | 48.4° |
| C2 | C3 | C4 | H4B | 178.2° | 55.1° |
| C2 | C3 | C4 | H4A | 58.9° | 65.0° |
| C3 | C2 | O1 | H1 | 125.2° | 180.0° |
| C3 | C4 | O5 | H4B | 120.3° | 120.0° |
| C3 | C4 | O5 | H4A | 120.3° | 120.0° |
| C4 | C3 | O6 | H3 | 117.6° | 120.1° |
| C4 | C3 | O6 | C7 | 173.4° | 175.2° |
| C4 | C3 | C2 | C11 | 173.2° | 172.2° |
| C3 | C4 | H4B | H4A | 119.0° | 120.0° |
| C4 | C3 | C2 | H2 | 54.2° | 52.5° |
| C3 | C4 | O5 | H5 | 180.0° | 180.0° |
| O5 | C4 | C3 | O6 | 59.8° | 65.2° |
| O5 | C4 | H4B | H4A | 119.0° | 120.0° |
| O5 | C4 | C3 | H3 | 178.0° | 54.9° |
| C3 | O6 | C7 | O8 | 59.0° | 55.0° |
| C3 | O6 | C7 | C9 | 62.4° | 64.9° |
| O6 | C3 | C2 | C11 | 53.9° | 52.3° |
| O6 | C3 | C4 | H4B | 60.6° | 174.8° |
| O6 | C3 | C4 | H4A | 179.9° | 54.8° |
| C3 | O6 | C7 | H7 | 179.2° | 175.1° |
| O6 | C3 | C2 | H2 | 65.1° | 67.4° |
| O6 | C7 | O8 | C9 | 122.5° | 119.8° |
| O6 | C7 | O8 | H7 | 119.8° | 120.1° |
| O6 | C7 | C9 | H7 | 119.2° | 120.0° |
| O6 | C7 | C9 | O10 | 172.3° | 171.9° |
| O6 | C7 | C9 | C11 | 51.4° | 52.2° |
| C7 | O6 | C3 | H3 | 55.8° | 55.0° |
| O6 | C7 | C9 | H9 | 67.1° | 67.4° |
| O6 | C7 | O8 | H8 | 180.0° | 60.2° |
| O8 | C7 | C9 | H7 | 118.8° | 120.0° |
| O8 | C7 | C9 | O10 | 50.4° | 52.0° |
| O8 | C7 | C9 | C11 | 70.6° | 67.7° |
| O8 | C7 | C9 | H9 | 171.0° | 172.7° |
| C7 | C9 | O10 | C11 | 120.5° | 118.7° |
| C7 | C9 | O10 | H9 | 119.7° | 120.7° |
| C7 | C9 | C11 | C2 | 46.9° | 48.4° |
| C7 | C9 | C11 | O12 | 134.6° | 131.6° |
| C7 | C9 | C11 | H9 | 118.4° | 119.6° |
| C7 | C9 | O10 | H10 | 126.2° | 180.0° |
| C9 | C7 | O8 | H8 | 57.5° | 180.0° |
| O10 | C9 | C11 | C2 | 167.8° | 168.1° |
| O10 | C9 | C11 | O12 | 13.6° | 11.9° |
| O10 | C9 | C11 | H9 | 120.6° | 120.7° |
| O10 | C9 | C7 | H7 | 68.5° | 68.1° |
| C2 | C11 | O12 | C9 | 178.5° | 180.0° |
| C11 | C2 | C3 | H3 | 66.2° | 67.7° |
| C2 | C11 | C9 | H9 | 71.5° | 71.2° |
| C11 | C2 | O1 | H1 | 5.5° | 61.4° |
| O12 | C11 | C2 | H2 | 108.0° | 108.7° |
| O12 | C11 | C9 | H9 | 107.0° | 108.8° |
| C11 | C9 | C7 | H7 | 170.6° | 172.3° |
| C9 | C11 | C2 | H2 | 70.6° | 71.3° |
| C11 | C9 | O10 | H10 | 5.8° | 61.3° |
| H4B | C4 | C3 | H3 | 57.7° | 65.0° |
| H4B | C4 | O5 | H5 | 59.7° | 60.0° |
| H4A | C4 | C3 | H3 | 61.7° | 174.9° |
| H4A | C4 | O5 | H5 | 59.7° | 60.0° |
| H7 | C7 | C9 | H9 | 52.1° | 52.7° |
| H7 | C7 | O8 | H8 | 60.2° | 59.9° |
| H2 | C2 | C3 | H3 | 174.8° | 172.6° |
| H2 | C2 | O1 | H1 | 114.5° | 59.3° |
| H9 | C9 | O10 | H10 | 114.0° | 59.4° |
