A1H37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C01 | sing | 1.43Å | 1.34Å | |
| O01 | C05 | sing | 1.44Å | 1.39Å | |
| C01 | C02 | sing | 1.53Å | 1.44Å | |
| C05 | C04 | sing | 1.56Å | 1.48Å | |
| C05 | C06 | sing | 1.55Å | 1.48Å | |
| F02 | C02 | sing | 1.40Å | 1.16Å | |
| C02 | C03 | sing | 1.54Å | 1.51Å | |
| C04 | C03 | sing | 1.55Å | 1.47Å | |
| C04 | O04 | sing | 1.43Å | 1.40Å | |
| C06 | O03 | sing | 1.43Å | 1.33Å | |
| C03 | O03 | sing | 1.44Å | 1.37Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| O04 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O01 | C05 | 118.3° | 113.3° |
| O01 | C01 | C02 | 114.9° | 110.5° |
| O01 | C01 | H1 | 108.1° | 109.2° |
| O01 | C01 | H2 | 108.1° | 109.1° |
| O01 | C05 | C04 | 111.0° | 105.9° |
| O01 | C05 | C06 | 109.3° | 106.8° |
| O01 | C05 | H6 | 113.4° | 114.2° |
| C01 | C02 | F02 | 115.4° | 109.6° |
| C01 | C02 | C03 | 107.8° | 108.7° |
| C02 | C01 | H1 | 108.1° | 109.3° |
| C02 | C01 | H2 | 108.1° | 109.3° |
| C01 | C02 | H3 | 107.4° | 109.6° |
| C04 | C05 | C06 | 98.4° | 101.6° |
| C05 | C04 | C03 | 96.8° | 99.3° |
| C05 | C04 | O04 | 115.3° | 111.4° |
| C05 | C04 | H5 | 111.3° | 111.5° |
| C04 | C05 | H6 | 111.9° | 113.6° |
| C05 | C06 | O03 | 105.3° | 107.1° |
| C06 | C05 | H6 | 111.9° | 113.6° |
| C05 | C06 | H7 | 110.5° | 109.9° |
| C05 | C06 | H8 | 110.5° | 109.9° |
| F02 | C02 | C03 | 107.4° | 109.6° |
| F02 | C02 | H3 | 111.8° | 109.8° |
| C02 | C03 | C04 | 107.6° | 106.1° |
| C02 | C03 | O03 | 109.0° | 107.0° |
| C03 | C02 | H3 | 106.6° | 109.6° |
| C02 | C03 | H4 | 110.6° | 112.7° |
| C03 | C04 | O04 | 108.4° | 111.4° |
| C04 | C03 | O03 | 105.2° | 104.3° |
| C04 | C03 | H4 | 111.2° | 113.4° |
| C03 | C04 | H5 | 111.4° | 111.5° |
| O04 | C04 | H5 | 112.6° | 111.2° |
| C04 | O04 | H9 | 109.5° | 114.0° |
| C06 | O03 | C03 | 109.5° | 109.4° |
| O03 | C06 | H7 | 110.5° | 109.9° |
| O03 | C06 | H8 | 110.5° | 110.0° |
| O03 | C03 | H4 | 112.9° | 112.8° |
| H1 | C01 | H2 | 109.5° | 109.3° |
| H7 | C06 | H8 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C01 | C02 | H1 | 120.8° | 120.2° |
| O01 | C01 | C02 | H2 | 120.8° | 120.1° |
| C01 | O01 | C05 | C04 | 53.5° | 68.2° |
| C01 | O01 | C05 | C06 | 53.9° | 39.5° |
| O01 | C01 | C02 | F02 | 78.0° | 67.9° |
| O01 | C01 | C02 | C03 | 42.0° | 51.8° |
| O01 | C01 | H1 | H2 | 117.5° | 119.4° |
| O01 | C01 | C02 | H3 | 156.6° | 171.6° |
| C01 | O01 | C05 | H6 | 179.5° | 166.0° |
| C05 | O01 | C01 | C02 | 38.5° | 55.8° |
| O01 | C05 | C04 | C06 | 114.4° | 111.4° |
| O01 | C05 | C04 | H6 | 127.8° | 126.1° |
| O01 | C05 | C06 | H6 | 126.5° | 126.8° |
| O01 | C05 | C04 | C03 | 67.6° | 73.0° |
| O01 | C05 | C04 | O04 | 178.3° | 169.4° |
| O01 | C05 | C06 | O03 | 76.8° | 86.9° |
| C05 | O01 | C01 | H1 | 159.3° | 64.5° |
| C05 | O01 | C01 | H2 | 82.3° | 176.0° |
| O01 | C05 | C04 | H5 | 48.5° | 44.5° |
| O01 | C05 | C06 | H7 | 42.5° | 32.5° |
| O01 | C05 | C06 | H8 | 163.9° | 153.6° |
| C01 | C02 | F02 | C03 | 120.2° | 119.2° |
| C01 | C02 | F02 | H3 | 123.1° | 120.4° |
| C01 | C02 | C03 | H3 | 115.1° | 119.7° |
| C01 | C02 | C03 | C04 | 64.6° | 62.9° |
| C01 | C02 | C03 | O03 | 49.0° | 48.0° |
| C02 | C01 | H1 | H2 | 117.5° | 119.6° |
| C01 | C02 | C03 | H4 | 173.7° | 172.5° |
| C04 | C05 | C06 | H6 | 117.8° | 122.5° |
| C05 | C04 | C03 | C02 | 74.3° | 71.5° |
| C05 | C04 | C03 | O04 | 119.5° | 117.5° |
| C05 | C04 | C03 | H5 | 116.0° | 117.6° |
| C05 | C04 | O04 | H5 | 129.1° | 125.1° |
| C04 | C05 | C06 | O03 | 39.0° | 23.8° |
| C05 | C04 | C03 | O03 | 41.7° | 41.3° |
| C05 | C04 | C03 | H4 | 164.3° | 164.3° |
| C04 | C05 | C06 | H7 | 158.3° | 143.2° |
| C04 | C05 | C06 | H8 | 80.4° | 95.6° |
| C05 | C04 | O04 | H9 | 180.0° | 70.1° |
| C06 | C05 | C04 | C03 | 46.8° | 38.4° |
| C06 | C05 | C04 | O04 | 67.3° | 79.1° |
| C05 | C06 | O03 | H7 | 119.4° | 119.3° |
| C05 | C06 | O03 | H8 | 119.3° | 119.4° |
| C05 | C06 | O03 | C03 | 13.2° | 2.5° |
| C06 | C05 | C04 | H5 | 163.0° | 156.0° |
| C05 | C06 | H7 | H8 | 121.9° | 121.1° |
| F02 | C02 | C03 | H3 | 120.0° | 120.5° |
| F02 | C02 | C03 | C04 | 60.4° | 56.9° |
| F02 | C02 | C03 | O03 | 173.9° | 167.8° |
| F02 | C02 | C01 | H1 | 42.8° | 171.9° |
| F02 | C02 | C01 | H2 | 161.2° | 52.2° |
| F02 | C02 | C03 | H4 | 61.4° | 67.7° |
| C02 | C03 | C04 | O03 | 116.1° | 112.8° |
| C02 | C03 | C04 | H4 | 121.4° | 124.1° |
| C02 | C03 | C04 | O04 | 166.1° | 171.0° |
| C02 | C03 | O03 | C06 | 96.5° | 84.0° |
| C02 | C03 | O03 | H4 | 123.4° | 124.5° |
| C03 | C02 | C01 | H1 | 162.8° | 68.4° |
| C03 | C02 | C01 | H2 | 78.8° | 171.9° |
| C02 | C03 | C04 | H5 | 41.7° | 46.1° |
| C03 | C04 | O04 | H5 | 123.7° | 125.0° |
| C04 | C03 | O03 | C06 | 18.7° | 28.1° |
| C04 | C03 | O03 | H4 | 121.5° | 123.4° |
| C04 | C03 | C02 | H3 | 179.7° | 177.4° |
| C03 | C04 | C05 | H6 | 164.6° | 160.8° |
| C03 | C04 | O04 | H9 | 72.8° | 180.0° |
| O04 | C04 | C03 | O03 | 77.8° | 76.2° |
| O04 | C04 | C03 | H4 | 44.8° | 46.8° |
| O04 | C04 | C05 | H6 | 50.4° | 43.3° |
| C06 | O03 | C03 | H4 | 140.2° | 151.5° |
| O03 | C06 | C05 | H6 | 156.7° | 146.2° |
| O03 | C06 | H7 | H8 | 121.9° | 121.2° |
| O03 | C03 | C02 | H3 | 66.1° | 71.7° |
| O03 | C03 | C04 | H5 | 157.8° | 158.9° |
| C03 | O03 | C06 | H7 | 132.5° | 116.9° |
| C03 | O03 | C06 | H8 | 106.1° | 121.9° |
| H1 | C01 | C02 | H3 | 82.6° | 51.4° |
| H2 | C01 | C02 | H3 | 35.8° | 68.3° |
| H3 | C02 | C03 | H4 | 58.6° | 52.8° |
| H4 | C03 | C04 | H5 | 79.7° | 78.1° |
| H5 | C04 | C05 | H6 | 79.3° | 81.6° |
| H5 | C04 | O04 | H9 | 51.0° | 54.9° |
| H6 | C05 | C06 | H7 | 84.0° | 94.4° |
| H6 | C05 | C06 | H8 | 37.4° | 26.8° |
