A1EX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.18Å | |
| C07 | O09 | sing | 1.35Å | 1.42Å | |
| C07 | C06 | sing | 1.51Å | 1.68Å | |
| O09 | C10 | sing | 1.35Å | 1.41Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C02 | sing | 1.54Å | 1.64Å | |
| C06 | C05 | sing | 1.54Å | 1.38Å | |
| C02 | C03 | sing | 1.54Å | 1.37Å | |
| C10 | C11 | doub | 1.30Å | 1.52Å | |
| C05 | C11 | sing | 1.50Å | 1.51Å | |
| C05 | C04 | sing | 1.55Å | 1.60Å | |
| C03 | C04 | sing | 1.54Å | 1.60Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | O09 | 122.8° | 121.1° |
| O08 | C07 | C06 | 122.9° | 121.1° |
| O09 | C07 | C06 | 114.4° | 117.7° |
| C07 | O09 | C10 | 119.9° | 116.2° |
| C07 | C06 | C02 | 115.9° | 109.2° |
| C07 | C06 | C05 | 114.7° | 108.3° |
| C07 | C06 | H061 | 105.0° | 111.8° |
| O09 | C10 | C11 | 120.2° | 123.1° |
| O09 | C10 | H101 | 119.9° | 118.4° |
| C01 | C02 | C06 | 109.7° | 110.0° |
| C01 | C02 | C03 | 110.4° | 109.9° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 110.2° | 110.0° |
| C02 | C06 | C05 | 107.2° | 104.9° |
| C06 | C02 | C03 | 104.9° | 106.8° |
| C06 | C02 | H021 | 108.8° | 110.1° |
| C02 | C06 | H061 | 105.3° | 111.2° |
| C06 | C05 | C11 | 115.4° | 110.3° |
| C06 | C05 | C04 | 105.3° | 103.4° |
| C06 | C05 | H051 | 113.0° | 111.7° |
| C05 | C06 | H061 | 108.3° | 111.2° |
| C02 | C03 | C04 | 103.9° | 106.6° |
| C03 | C02 | H021 | 112.7° | 109.9° |
| C02 | C03 | H032 | 110.8° | 110.0° |
| C02 | C03 | H031 | 110.8° | 110.0° |
| C10 | C11 | C05 | 120.6° | 124.2° |
| C10 | C11 | C12 | 118.0° | 117.9° |
| C11 | C10 | H101 | 119.9° | 118.4° |
| C11 | C05 | C04 | 101.8° | 109.1° |
| C05 | C11 | C12 | 118.6° | 117.9° |
| C11 | C05 | H051 | 110.8° | 111.0° |
| C05 | C04 | C03 | 105.3° | 104.6° |
| C05 | C04 | H041 | 110.5° | 110.4° |
| C05 | C04 | H042 | 110.5° | 110.5° |
| C04 | C05 | H051 | 109.7° | 111.1° |
| C04 | C03 | H032 | 110.9° | 110.0° |
| C04 | C03 | H031 | 110.8° | 110.0° |
| C03 | C04 | H041 | 110.5° | 110.4° |
| C03 | C04 | H042 | 110.5° | 110.4° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 110.0° |
| H041 | C04 | H042 | 109.5° | 110.3° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | O09 | C06 | 179.5° | 179.9° |
| O08 | C07 | O09 | C10 | 151.6° | 137.5° |
| O08 | C07 | C06 | C02 | 98.7° | 119.2° |
| O08 | C07 | C06 | C05 | 135.6° | 127.1° |
| O08 | C07 | C06 | H061 | 16.9° | 4.3° |
| O09 | C07 | C06 | C02 | 80.8° | 60.7° |
| O09 | C07 | C06 | C05 | 44.9° | 53.0° |
| C07 | O09 | C10 | C11 | 10.5° | 14.7° |
| O09 | C07 | C06 | H061 | 163.6° | 175.8° |
| C07 | O09 | C10 | H101 | 169.5° | 165.3° |
| C06 | C07 | O09 | C10 | 28.9° | 42.6° |
| C07 | C06 | C02 | C01 | 74.8° | 103.7° |
| C07 | C06 | C02 | C05 | 129.4° | 115.9° |
| C07 | C06 | C02 | H061 | 115.5° | 123.8° |
| C07 | C06 | C05 | H061 | 116.8° | 123.1° |
| C07 | C06 | C02 | C03 | 166.6° | 137.0° |
| C07 | C06 | C05 | C11 | 38.5° | 35.1° |
| C07 | C06 | C05 | C04 | 149.8° | 151.6° |
| C07 | C06 | C02 | H021 | 45.8° | 17.7° |
| C07 | C06 | C05 | H051 | 90.4° | 88.8° |
| O09 | C10 | C11 | H101 | 180.0° | 180.0° |
| O09 | C10 | C11 | C05 | 3.8° | 0.7° |
| O09 | C10 | C11 | C12 | 164.7° | 179.4° |
| C01 | C02 | C06 | C03 | 118.5° | 119.3° |
| C01 | C02 | C06 | H021 | 120.7° | 121.4° |
| C01 | C02 | C06 | C05 | 155.7° | 140.5° |
| C01 | C02 | C03 | H021 | 123.7° | 121.2° |
| C01 | C02 | C03 | C04 | 152.7° | 118.2° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 88.2° | 122.5° |
| C01 | C02 | C03 | H031 | 33.6° | 1.1° |
| C01 | C02 | C06 | H061 | 40.6° | 20.1° |
| C02 | C06 | C05 | H061 | 113.1° | 120.4° |
| C06 | C02 | C03 | H021 | 118.2° | 119.4° |
| C02 | C06 | C05 | C11 | 91.6° | 81.4° |
| C02 | C06 | C05 | C04 | 19.7° | 35.2° |
| C06 | C02 | C03 | C04 | 34.7° | 1.2° |
| C06 | C02 | C01 | H011 | 180.0° | 178.8° |
| C06 | C02 | C01 | H013 | 60.0° | 61.1° |
| C06 | C02 | C01 | H012 | 60.0° | 58.8° |
| C06 | C02 | C03 | H032 | 153.8° | 118.1° |
| C06 | C02 | C03 | H031 | 84.4° | 120.5° |
| C02 | C06 | C05 | H051 | 139.4° | 154.7° |
| C05 | C06 | C02 | C03 | 37.2° | 21.2° |
| C06 | C05 | C11 | C10 | 20.3° | 13.2° |
| C06 | C05 | C11 | C04 | 113.4° | 112.9° |
| C06 | C05 | C11 | H051 | 130.0° | 124.3° |
| C06 | C05 | C04 | H051 | 121.9° | 119.9° |
| C06 | C05 | C04 | C03 | 0.3° | 35.8° |
| C06 | C05 | C11 | C12 | 178.9° | 166.9° |
| C05 | C06 | C02 | H021 | 83.6° | 98.2° |
| C06 | C05 | C04 | H041 | 119.6° | 154.7° |
| C06 | C05 | C04 | H042 | 119.1° | 83.0° |
| C02 | C03 | C04 | C05 | 23.9° | 23.0° |
| C02 | C03 | C04 | H032 | 119.1° | 119.3° |
| C02 | C03 | C04 | H031 | 119.1° | 119.3° |
| C03 | C02 | C01 | H011 | 64.9° | 61.5° |
| C03 | C02 | C01 | H013 | 175.1° | 178.5° |
| C03 | C02 | C01 | H012 | 55.1° | 58.6° |
| C02 | C03 | H032 | H031 | 122.6° | 121.4° |
| C02 | C03 | C04 | H041 | 143.2° | 141.8° |
| C02 | C03 | C04 | H042 | 95.5° | 95.9° |
| C03 | C02 | C06 | H061 | 77.9° | 99.2° |
| C10 | C11 | C05 | C12 | 160.8° | 179.9° |
| C10 | C11 | C05 | C04 | 133.7° | 126.1° |
| C10 | C11 | C05 | H051 | 109.7° | 111.1° |
| C10 | C11 | C12 | H122 | 180.0° | 90.0° |
| C10 | C11 | C12 | H121 | 60.0° | 30.0° |
| C10 | C11 | C12 | H123 | 60.0° | 150.0° |
| C11 | C05 | C04 | H051 | 117.4° | 122.7° |
| C11 | C05 | C04 | C03 | 121.0° | 81.5° |
| C11 | C05 | C04 | H041 | 119.7° | 37.3° |
| C11 | C05 | C04 | H042 | 1.7° | 159.6° |
| C11 | C05 | C06 | H061 | 155.3° | 158.3° |
| C05 | C11 | C10 | H101 | 176.2° | 179.3° |
| C05 | C11 | C12 | H122 | 18.7° | 89.9° |
| C05 | C11 | C12 | H121 | 101.3° | 150.0° |
| C05 | C11 | C12 | H123 | 138.7° | 30.1° |
| C05 | C04 | C03 | H041 | 119.3° | 118.8° |
| C05 | C04 | C03 | H042 | 119.3° | 118.9° |
| C04 | C05 | C11 | C12 | 65.5° | 54.0° |
| C05 | C04 | C03 | H032 | 143.0° | 96.3° |
| C05 | C04 | C03 | H031 | 95.2° | 142.3° |
| C05 | C04 | H041 | H042 | 121.9° | 122.4° |
| C04 | C05 | C06 | H061 | 93.4° | 85.2° |
| C04 | C03 | C02 | H021 | 83.6° | 120.6° |
| C04 | C03 | H032 | H031 | 122.6° | 121.4° |
| C03 | C04 | H041 | H042 | 121.9° | 122.3° |
| C03 | C04 | C05 | H051 | 121.6° | 155.7° |
| C12 | C11 | C05 | H051 | 51.1° | 68.8° |
| C12 | C11 | C10 | H101 | 15.3° | 0.6° |
| C11 | C12 | H122 | H121 | 120.0° | 120.1° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 119.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 60.2° | 59.8° |
| H013 | C01 | C02 | H021 | 59.8° | 60.3° |
| H012 | C01 | C02 | H021 | 179.8° | 179.8° |
| H021 | C02 | C03 | H032 | 35.5° | 1.3° |
| H021 | C02 | C03 | H031 | 157.4° | 120.1° |
| H021 | C02 | C06 | H061 | 161.3° | 141.5° |
| H032 | C03 | C04 | H041 | 97.7° | 22.5° |
| H032 | C03 | C04 | H042 | 23.6° | 144.8° |
| H031 | C03 | C04 | H041 | 24.1° | 98.9° |
| H031 | C03 | C04 | H042 | 145.4° | 23.4° |
| H041 | C04 | C05 | H051 | 2.3° | 85.5° |
| H042 | C04 | C05 | H051 | 119.1° | 36.9° |
| H051 | C05 | C06 | H061 | 26.4° | 34.3° |
| H122 | C12 | H121 | H123 | 120.0° | 120.0° |
