A1H6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | O1 | doub | 1.21Å | 1.24Å | |
| C11 | O2 | sing | 1.34Å | 1.24Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C2 | C9 | sing | 1.53Å | 1.54Å | |
| C4 | C10 | sing | 1.53Å | 1.54Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.5° | 109.5° |
| C2 | C1 | C6 | 109.4° | 109.5° |
| C1 | C2 | C9 | 109.9° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.4° |
| C2 | C3 | C4 | 109.4° | 109.5° |
| C3 | C2 | C9 | 110.6° | 109.5° |
| C3 | C2 | H3 | 109.3° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C3 | C4 | C10 | 108.8° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C4 | C3 | H5 | 109.5° | 109.5° |
| C4 | C3 | H4 | 109.5° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C5 | C4 | C10 | 110.3° | 109.5° |
| C5 | C4 | H6 | 109.4° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C5 | C6 | C7 | 109.6° | 109.5° |
| C5 | C6 | C1 | 109.5° | 109.5° |
| C6 | C5 | H8 | 109.5° | 109.5° |
| C6 | C5 | H7 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.6° | 109.5° |
| C6 | C7 | C8 | 110.6° | 109.5° |
| C7 | C6 | C1 | 109.2° | 109.5° |
| C7 | C6 | H9 | 109.4° | 109.5° |
| C6 | C7 | H10 | 109.2° | 109.5° |
| C6 | C7 | H11 | 109.2° | 109.5° |
| C7 | C8 | C9 | 108.4° | 109.5° |
| C7 | C8 | C10 | 109.0° | 109.5° |
| C7 | C8 | C11 | 108.5° | 109.5° |
| C8 | C7 | H10 | 109.2° | 109.5° |
| C8 | C7 | H11 | 109.2° | 109.5° |
| C9 | C8 | C10 | 108.5° | 109.5° |
| C9 | C8 | C11 | 115.3° | 109.5° |
| C8 | C9 | C2 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.4° | 109.5° |
| C10 | C8 | C11 | 106.9° | 109.5° |
| C8 | C10 | C4 | 110.3° | 109.5° |
| C8 | C10 | H15 | 109.3° | 109.5° |
| C8 | C10 | H14 | 109.2° | 109.5° |
| C8 | C11 | O1 | 120.3° | 120.0° |
| C8 | C11 | O2 | 118.3° | 120.0° |
| O1 | C11 | O2 | 121.3° | 120.0° |
| C11 | O2 | H16 | 109.5° | 117.1° |
| C1 | C6 | H9 | 109.5° | 109.5° |
| C6 | C1 | H2 | 109.5° | 109.5° |
| C6 | C1 | H1 | 109.5° | 109.5° |
| C9 | C2 | H3 | 109.2° | 109.5° |
| C2 | C9 | H13 | 109.4° | 109.5° |
| C2 | C9 | H12 | 109.5° | 109.5° |
| C10 | C4 | H6 | 109.3° | 109.5° |
| C4 | C10 | H15 | 109.2° | 109.5° |
| C4 | C10 | H14 | 109.3° | 109.5° |
| H8 | C5 | H7 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H15 | C10 | H14 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H5 | C3 | H4 | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C9 | 120.6° | 120.0° |
| C1 | C2 | C3 | H3 | 119.2° | 120.0° |
| C1 | C2 | C3 | C4 | 60.9° | 60.0° |
| C2 | C1 | C6 | C5 | 60.5° | 60.0° |
| C2 | C1 | C6 | C7 | 59.5° | 60.0° |
| C1 | C2 | C9 | C8 | 60.6° | 60.0° |
| C2 | C1 | C6 | H2 | 120.0° | 120.0° |
| C2 | C1 | C6 | H1 | 120.0° | 120.0° |
| C1 | C2 | C9 | H3 | 119.9° | 120.0° |
| C2 | C1 | C6 | H9 | 179.3° | 180.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 59.0° | 180.0° |
| C1 | C2 | C3 | H4 | 179.1° | 60.0° |
| C1 | C2 | C9 | H13 | 59.4° | 60.0° |
| C1 | C2 | C9 | H12 | 179.4° | 180.0° |
| C2 | C3 | C4 | H5 | 120.0° | 120.0° |
| C2 | C3 | C4 | H4 | 119.9° | 120.0° |
| C2 | C3 | C4 | C5 | 60.8° | 60.0° |
| C3 | C2 | C9 | C8 | 59.2° | 60.0° |
| C3 | C2 | C1 | C6 | 60.8° | 60.0° |
| C3 | C2 | C9 | H3 | 120.3° | 120.0° |
| C2 | C3 | C4 | C10 | 59.8° | 60.0° |
| C2 | C3 | C4 | H6 | 179.2° | 180.0° |
| C3 | C2 | C1 | H2 | 179.3° | 60.0° |
| C3 | C2 | C1 | H1 | 59.2° | 180.0° |
| C2 | C3 | H5 | H4 | 120.0° | 120.0° |
| C3 | C2 | C9 | H13 | 179.2° | 180.0° |
| C3 | C2 | C9 | H12 | 60.8° | 60.0° |
| C3 | C4 | C5 | C10 | 119.7° | 120.0° |
| C3 | C4 | C5 | H6 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 60.0° | 60.0° |
| C3 | C4 | C10 | C8 | 61.3° | 60.0° |
| C4 | C3 | C2 | C9 | 59.6° | 60.0° |
| C3 | C4 | C10 | H6 | 119.5° | 120.0° |
| C3 | C4 | C5 | H8 | 60.0° | 60.0° |
| C3 | C4 | C5 | H7 | 179.9° | 180.0° |
| C3 | C4 | C10 | H15 | 58.9° | 180.0° |
| C3 | C4 | C10 | H14 | 178.6° | 60.0° |
| C4 | C3 | C2 | H3 | 179.9° | 180.0° |
| C4 | C3 | H5 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | H8 | 120.0° | 120.0° |
| C4 | C5 | C6 | H7 | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 60.1° | 60.0° |
| C5 | C4 | C10 | C8 | 58.9° | 60.0° |
| C4 | C5 | C6 | C1 | 59.7° | 60.0° |
| C5 | C4 | C10 | H6 | 120.3° | 120.0° |
| C4 | C5 | H8 | H7 | 120.1° | 120.0° |
| C4 | C5 | C6 | H9 | 179.8° | 180.0° |
| C5 | C4 | C10 | H15 | 179.1° | 60.0° |
| C5 | C4 | C10 | H14 | 61.2° | 180.0° |
| C5 | C4 | C3 | H5 | 59.1° | 180.0° |
| C5 | C4 | C3 | H4 | 179.2° | 60.0° |
| C5 | C6 | C7 | C1 | 120.0° | 120.0° |
| C5 | C6 | C7 | H9 | 120.2° | 120.0° |
| C5 | C6 | C7 | C8 | 60.0° | 60.0° |
| C5 | C6 | C1 | H9 | 120.2° | 120.0° |
| C6 | C5 | C4 | C10 | 59.8° | 60.0° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | H8 | H7 | 120.1° | 120.0° |
| C5 | C6 | C7 | H10 | 179.8° | 180.0° |
| C5 | C6 | C7 | H11 | 60.2° | 60.0° |
| C5 | C6 | C1 | H2 | 179.5° | 60.0° |
| C5 | C6 | C1 | H1 | 59.5° | 180.0° |
| C6 | C7 | C8 | H10 | 120.2° | 120.0° |
| C6 | C7 | C8 | H11 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 59.8° | 60.0° |
| C6 | C7 | C8 | C10 | 58.2° | 60.0° |
| C6 | C7 | C8 | C11 | 174.3° | 180.0° |
| C7 | C6 | C1 | H9 | 119.8° | 120.0° |
| C7 | C6 | C5 | H8 | 179.9° | 180.0° |
| C7 | C6 | C5 | H7 | 59.9° | 60.0° |
| C6 | C7 | H10 | H11 | 119.5° | 120.0° |
| C7 | C6 | C1 | H2 | 60.5° | 180.0° |
| C7 | C6 | C1 | H1 | 179.5° | 60.0° |
| C7 | C8 | C9 | C10 | 118.3° | 120.0° |
| C7 | C8 | C9 | C11 | 121.9° | 120.0° |
| C7 | C8 | C10 | C11 | 117.1° | 120.0° |
| C7 | C8 | C11 | O1 | 150.7° | 0.0° |
| C7 | C8 | C11 | O2 | 33.3° | 180.0° |
| C8 | C7 | C6 | C1 | 60.0° | 60.0° |
| C7 | C8 | C9 | C2 | 59.5° | 60.0° |
| C7 | C8 | C10 | C4 | 57.4° | 60.0° |
| C8 | C7 | C6 | H9 | 179.8° | 180.0° |
| C8 | C7 | H10 | H11 | 119.5° | 120.0° |
| C7 | C8 | C10 | H15 | 177.5° | 60.0° |
| C7 | C8 | C10 | H14 | 62.8° | 180.0° |
| C7 | C8 | C9 | H13 | 60.5° | 60.0° |
| C7 | C8 | C9 | H12 | 179.5° | 180.0° |
| C9 | C8 | C10 | C11 | 125.0° | 120.0° |
| C9 | C8 | C11 | O1 | 28.8° | 120.0° |
| C9 | C8 | C11 | O2 | 155.1° | 60.0° |
| C8 | C9 | C2 | H13 | 120.0° | 120.0° |
| C8 | C9 | C2 | H12 | 120.0° | 120.0° |
| C9 | C8 | C10 | C4 | 60.6° | 60.0° |
| C9 | C8 | C7 | H10 | 60.4° | 60.0° |
| C9 | C8 | C7 | H11 | 179.9° | 180.0° |
| C9 | C8 | C10 | H15 | 59.5° | 180.0° |
| C9 | C8 | C10 | H14 | 179.3° | 60.0° |
| C8 | C9 | C2 | H3 | 179.5° | 180.0° |
| C8 | C9 | H13 | H12 | 120.0° | 120.0° |
| C10 | C8 | C11 | O1 | 91.9° | 120.0° |
| C10 | C8 | C11 | O2 | 84.1° | 60.0° |
| C10 | C8 | C9 | C2 | 58.8° | 60.0° |
| C8 | C10 | C4 | H15 | 120.1° | 120.0° |
| C8 | C10 | C4 | H14 | 120.1° | 120.0° |
| C8 | C10 | C4 | H6 | 179.3° | 180.0° |
| C10 | C8 | C7 | H10 | 178.4° | 180.0° |
| C10 | C8 | C7 | H11 | 61.9° | 60.0° |
| C8 | C10 | H15 | H14 | 119.6° | 120.0° |
| C10 | C8 | C9 | H13 | 178.8° | 180.0° |
| C10 | C8 | C9 | H12 | 61.2° | 60.0° |
| C8 | C11 | O1 | O2 | 175.9° | 180.0° |
| C11 | C8 | C9 | C2 | 178.6° | 180.0° |
| C11 | C8 | C10 | C4 | 174.4° | 180.0° |
| C11 | C8 | C7 | H10 | 65.6° | 60.0° |
| C11 | C8 | C7 | H11 | 54.1° | 60.0° |
| C11 | C8 | C10 | H15 | 65.4° | 60.0° |
| C11 | C8 | C10 | H14 | 54.3° | 60.0° |
| C11 | C8 | C9 | H13 | 61.4° | 60.0° |
| C11 | C8 | C9 | H12 | 58.6° | 60.0° |
| C8 | C11 | O2 | H16 | 176.0° | 180.0° |
| O1 | C11 | O2 | H16 | 0.0° | 0.0° |
| C6 | C1 | C2 | C9 | 60.2° | 60.0° |
| C1 | C6 | C5 | H8 | 60.3° | 60.0° |
| C1 | C6 | C5 | H7 | 179.7° | 180.0° |
| C1 | C6 | C7 | H10 | 60.2° | 60.0° |
| C1 | C6 | C7 | H11 | 179.9° | 180.0° |
| C6 | C1 | H2 | H1 | 120.0° | 120.0° |
| C6 | C1 | C2 | H3 | 179.9° | 180.0° |
| C9 | C2 | C1 | H2 | 59.7° | 180.0° |
| C9 | C2 | C1 | H1 | 179.8° | 60.0° |
| C9 | C2 | C3 | H5 | 179.6° | 60.0° |
| C9 | C2 | C3 | H4 | 60.3° | 180.0° |
| C2 | C9 | H13 | H12 | 120.0° | 120.0° |
| C10 | C4 | C5 | H8 | 179.8° | 180.0° |
| C10 | C4 | C5 | H7 | 60.2° | 60.0° |
| C4 | C10 | H15 | H14 | 119.6° | 120.0° |
| C10 | C4 | C3 | H5 | 179.8° | 60.0° |
| C10 | C4 | C3 | H4 | 60.2° | 180.0° |
| H6 | C4 | C5 | H8 | 60.0° | 60.0° |
| H6 | C4 | C5 | H7 | 60.1° | 60.0° |
| H6 | C4 | C10 | H15 | 60.6° | 60.0° |
| H6 | C4 | C10 | H14 | 59.1° | 60.0° |
| H6 | C4 | C3 | H5 | 60.9° | 60.0° |
| H6 | C4 | C3 | H4 | 59.2° | 60.0° |
| H8 | C5 | C6 | H9 | 59.8° | 60.0° |
| H7 | C5 | C6 | H9 | 60.2° | 60.0° |
| H9 | C6 | C7 | H10 | 59.7° | 60.0° |
| H9 | C6 | C7 | H11 | 60.0° | 60.0° |
| H9 | C6 | C1 | H2 | 59.3° | 60.0° |
| H9 | C6 | C1 | H1 | 60.7° | 60.0° |
| H2 | C1 | C2 | H3 | 60.1° | 60.0° |
| H1 | C1 | C2 | H3 | 59.9° | 60.0° |
| H3 | C2 | C3 | H5 | 60.1° | 60.0° |
| H3 | C2 | C3 | H4 | 59.9° | 60.0° |
| H3 | C2 | C9 | H13 | 60.5° | 60.0° |
| H3 | C2 | C9 | H12 | 59.5° | 60.0° |
