A1H13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C6 | doub | 1.21Å | 1.19Å | |
| C6 | C1 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.47Å | 1.51Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C5 | C4 | doub | 1.33Å | 1.31Å | |
| C01 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C02 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.50Å | 1.54Å | |
| C4 | C03 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C6 | C1 | 120.7° | 121.2° |
| O01 | C6 | C5 | 119.1° | 121.1° |
| C1 | C6 | C5 | 120.2° | 117.7° |
| C6 | C1 | C2 | 116.0° | 107.3° |
| C6 | C1 | H1 | 107.8° | 109.9° |
| C6 | C1 | H2 | 107.8° | 110.0° |
| C6 | C5 | C4 | 119.6° | 120.6° |
| C6 | C5 | H4 | 120.2° | 119.7° |
| C1 | C2 | C01 | 109.2° | 109.5° |
| C1 | C2 | C3 | 108.9° | 109.0° |
| C1 | C2 | C02 | 110.0° | 109.6° |
| C2 | C1 | H1 | 107.9° | 109.9° |
| C2 | C1 | H2 | 107.8° | 109.9° |
| C5 | C4 | C3 | 119.5° | 123.2° |
| C5 | C4 | C03 | 119.3° | 118.4° |
| C4 | C5 | H4 | 120.2° | 119.7° |
| C01 | C2 | C3 | 109.3° | 109.5° |
| C01 | C2 | C02 | 109.5° | 109.6° |
| C2 | C01 | H6 | 109.5° | 109.5° |
| C2 | C01 | H7 | 109.5° | 109.4° |
| C2 | C01 | H8 | 109.5° | 109.5° |
| C3 | C2 | C02 | 110.1° | 109.6° |
| C2 | C3 | C4 | 115.4° | 111.2° |
| C2 | C3 | H15 | 108.0° | 109.1° |
| C2 | C3 | H16 | 108.0° | 109.1° |
| C2 | C02 | H12 | 109.5° | 109.5° |
| C2 | C02 | H13 | 109.5° | 109.5° |
| C2 | C02 | H14 | 109.5° | 109.4° |
| C3 | C4 | C03 | 119.1° | 118.4° |
| C4 | C3 | H15 | 107.9° | 109.2° |
| C4 | C3 | H16 | 107.9° | 109.1° |
| C4 | C03 | H9 | 109.5° | 109.4° |
| C4 | C03 | H10 | 109.4° | 109.5° |
| C4 | C03 | H11 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.9° |
| H6 | C01 | H7 | 109.4° | 109.4° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.5° |
| H12 | C02 | H14 | 109.4° | 109.4° |
| H13 | C02 | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C6 | C1 | C5 | 178.8° | 180.0° |
| O01 | C6 | C1 | C2 | 158.1° | 138.1° |
| O01 | C6 | C5 | C4 | 167.2° | 168.6° |
| O01 | C6 | C1 | H1 | 37.1° | 102.5° |
| O01 | C6 | C1 | H2 | 81.0° | 18.6° |
| O01 | C6 | C5 | H4 | 12.8° | 11.4° |
| C6 | C1 | C2 | H1 | 120.9° | 119.5° |
| C6 | C1 | C2 | H2 | 120.9° | 119.5° |
| C1 | C6 | C5 | C4 | 14.0° | 11.4° |
| C6 | C1 | C2 | C01 | 158.2° | 178.2° |
| C6 | C1 | C2 | C3 | 39.0° | 62.0° |
| C6 | C1 | C2 | C02 | 81.7° | 57.9° |
| C6 | C1 | H1 | H2 | 117.0° | 121.1° |
| C1 | C6 | C5 | H4 | 166.0° | 168.6° |
| C5 | C6 | C1 | C2 | 23.1° | 42.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 23.3° | 0.4° |
| C6 | C5 | C4 | C03 | 173.3° | 179.5° |
| C5 | C6 | C1 | H1 | 144.1° | 77.5° |
| C5 | C6 | C1 | H2 | 97.8° | 161.4° |
| C1 | C2 | C01 | C3 | 119.0° | 119.5° |
| C1 | C2 | C01 | C02 | 120.4° | 120.2° |
| C1 | C2 | C3 | C02 | 120.6° | 119.9° |
| C1 | C2 | C3 | C4 | 48.2° | 52.7° |
| C2 | C1 | H1 | H2 | 117.1° | 121.0° |
| C1 | C2 | C01 | H6 | 180.0° | 60.0° |
| C1 | C2 | C01 | H7 | 60.0° | 180.0° |
| C1 | C2 | C01 | H8 | 60.0° | 60.0° |
| C1 | C2 | C02 | H12 | 180.0° | 60.0° |
| C1 | C2 | C02 | H13 | 60.0° | 180.0° |
| C1 | C2 | C02 | H14 | 60.0° | 60.0° |
| C1 | C2 | C3 | H15 | 169.1° | 173.2° |
| C1 | C2 | C3 | H16 | 72.7° | 67.7° |
| C5 | C4 | C3 | C2 | 42.8° | 21.9° |
| C5 | C4 | C3 | C03 | 163.5° | 179.9° |
| C5 | C4 | C03 | H9 | 180.0° | 90.0° |
| C5 | C4 | C03 | H10 | 60.0° | 30.0° |
| C5 | C4 | C03 | H11 | 60.0° | 150.0° |
| C5 | C4 | C3 | H15 | 163.6° | 142.4° |
| C5 | C4 | C3 | H16 | 78.1° | 98.5° |
| C01 | C2 | C3 | C02 | 120.2° | 120.3° |
| C01 | C2 | C3 | C4 | 167.4° | 172.6° |
| C01 | C2 | C1 | H1 | 80.9° | 62.4° |
| C01 | C2 | C1 | H2 | 37.3° | 58.6° |
| C2 | C01 | H6 | H7 | 120.0° | 120.0° |
| C2 | C01 | H6 | H8 | 120.0° | 120.0° |
| C2 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C2 | C02 | H12 | 60.0° | 60.3° |
| C01 | C2 | C02 | H13 | 179.9° | 59.8° |
| C01 | C2 | C02 | H14 | 60.0° | 179.8° |
| C01 | C2 | C3 | H15 | 71.8° | 67.0° |
| C01 | C2 | C3 | H16 | 46.5° | 52.2° |
| C2 | C3 | C4 | H15 | 120.9° | 120.4° |
| C2 | C3 | C4 | H16 | 120.9° | 120.4° |
| C2 | C3 | C4 | C03 | 153.8° | 158.0° |
| C3 | C2 | C1 | H1 | 159.9° | 57.5° |
| C3 | C2 | C1 | H2 | 81.9° | 178.5° |
| C3 | C2 | C01 | H6 | 61.1° | 59.5° |
| C3 | C2 | C01 | H7 | 179.0° | 60.5° |
| C3 | C2 | C01 | H8 | 59.0° | 179.5° |
| C3 | C2 | C02 | H12 | 60.1° | 179.5° |
| C3 | C2 | C02 | H13 | 59.9° | 60.4° |
| C3 | C2 | C02 | H14 | 179.9° | 59.6° |
| C2 | C3 | H15 | H16 | 117.3° | 119.2° |
| C02 | C2 | C3 | C4 | 72.4° | 67.2° |
| C02 | C2 | C1 | H1 | 39.3° | 177.4° |
| C02 | C2 | C1 | H2 | 157.4° | 61.7° |
| C02 | C2 | C01 | H6 | 59.5° | 179.8° |
| C02 | C2 | C01 | H7 | 60.4° | 59.8° |
| C02 | C2 | C01 | H8 | 179.6° | 60.2° |
| C2 | C02 | H12 | H13 | 120.0° | 120.0° |
| C2 | C02 | H12 | H14 | 120.0° | 119.9° |
| C2 | C02 | H13 | H14 | 120.0° | 120.0° |
| C02 | C2 | C3 | H15 | 48.4° | 53.3° |
| C02 | C2 | C3 | H16 | 166.7° | 172.4° |
| C3 | C4 | C5 | H4 | 156.7° | 179.6° |
| C3 | C4 | C03 | H9 | 16.5° | 90.0° |
| C3 | C4 | C03 | H10 | 103.5° | 150.0° |
| C3 | C4 | C03 | H11 | 136.5° | 29.9° |
| C4 | C3 | H15 | H16 | 117.3° | 119.2° |
| C03 | C4 | C5 | H4 | 6.7° | 0.5° |
| C4 | C03 | H9 | H10 | 120.0° | 120.0° |
| C4 | C03 | H9 | H11 | 120.0° | 120.0° |
| C4 | C03 | H10 | H11 | 120.0° | 120.0° |
| C03 | C4 | C3 | H15 | 32.9° | 37.6° |
| C03 | C4 | C3 | H16 | 85.4° | 81.6° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
| H12 | C02 | H13 | H14 | 120.0° | 120.0° |
