A1H39
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C02 | C01 | sing | 1.53Å | 1.67Å | |
O01 | C05 | sing | 1.44Å | 1.45Å | |
C06 | C05 | sing | 1.55Å | 1.50Å | |
C05 | C04 | sing | 1.56Å | 1.33Å | |
O04 | C04 | sing | 1.43Å | 1.43Å | |
C04 | C03 | sing | 1.55Å | 1.33Å | |
O03 | C03 | sing | 1.44Å | 1.48Å | |
C03 | C02 | sing | 1.54Å | 1.45Å | |
O02 | C02 | sing | 1.43Å | 1.40Å | |
C01 | O01 | sing | 1.43Å | 1.62Å | |
C06 | O03 | sing | 1.45Å | 1.56Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C06 | H071 | sing | 1.09Å | 1.10Å | |
C06 | H072 | sing | 1.09Å | 1.10Å | |
O02 | H101 | sing | 0.97Å | 0.95Å | |
O04 | H081 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 112.4° | 108.7° |
C01 | C02 | O02 | 107.4° | 109.6° |
C02 | C01 | O01 | 100.7° | 110.5° |
C02 | C01 | H011 | 111.6° | 109.4° |
C02 | C01 | H012 | 111.6° | 109.1° |
C01 | C02 | H021 | 108.9° | 109.6° |
O01 | C05 | C06 | 109.0° | 106.8° |
O01 | C05 | C04 | 113.3° | 105.9° |
C05 | O01 | C01 | 113.3° | 113.2° |
O01 | C05 | H051 | 110.8° | 114.2° |
C06 | C05 | C04 | 100.4° | 101.7° |
C05 | C06 | O03 | 102.1° | 107.4° |
C06 | C05 | H051 | 110.1° | 113.6° |
C05 | C06 | H071 | 111.3° | 109.9° |
C05 | C06 | H072 | 111.3° | 109.9° |
C05 | C04 | O04 | 111.6° | 111.5° |
C05 | C04 | C03 | 110.8° | 99.3° |
C05 | C04 | H041 | 108.3° | 111.5° |
C04 | C05 | H051 | 112.7° | 113.6° |
O04 | C04 | C03 | 110.5° | 111.4° |
O04 | C04 | H041 | 107.1° | 111.2° |
C04 | O04 | H081 | 109.5° | 114.0° |
C04 | C03 | O03 | 101.2° | 105.0° |
C04 | C03 | C02 | 112.7° | 106.0° |
C04 | C03 | H031 | 112.6° | 112.7° |
C03 | C04 | H041 | 108.4° | 111.4° |
O03 | C03 | C02 | 109.1° | 107.0° |
C03 | O03 | C06 | 102.3° | 108.4° |
O03 | C03 | H031 | 110.2° | 112.8° |
C03 | C02 | O02 | 103.6° | 109.7° |
C03 | C02 | H021 | 111.8° | 109.6° |
C02 | C03 | H031 | 110.6° | 112.7° |
O02 | C02 | H021 | 112.7° | 109.6° |
C02 | O02 | H101 | 109.5° | 113.9° |
O01 | C01 | H011 | 111.6° | 109.3° |
O01 | C01 | H012 | 111.6° | 109.3° |
O03 | C06 | H071 | 111.3° | 109.7° |
O03 | C06 | H072 | 111.3° | 109.8° |
H011 | C01 | H012 | 109.5° | 109.3° |
H071 | C06 | H072 | 109.5° | 110.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C01 | O01 | C05 | 44.7° | 55.9° |
C01 | C02 | C03 | C04 | 58.7° | 62.9° |
C01 | C02 | C03 | O03 | 52.9° | 48.8° |
C01 | C02 | C03 | O02 | 115.6° | 119.9° |
C01 | C02 | C03 | H021 | 122.8° | 119.8° |
C01 | C02 | O02 | H021 | 119.9° | 120.4° |
C02 | C01 | O01 | H011 | 118.5° | 120.4° |
C02 | C01 | O01 | H012 | 118.6° | 120.1° |
C02 | C01 | H011 | H012 | 124.1° | 119.4° |
C01 | C02 | C03 | H031 | 174.2° | 173.3° |
C01 | C02 | O02 | H101 | 180.0° | 60.0° |
O01 | C05 | C06 | C04 | 119.2° | 110.7° |
O01 | C05 | C06 | H051 | 121.8° | 126.8° |
O01 | C05 | C04 | H051 | 126.8° | 126.1° |
O01 | C05 | C04 | O04 | 169.3° | 169.4° |
O01 | C05 | C04 | C03 | 67.1° | 73.1° |
O01 | C05 | C06 | O03 | 93.1° | 86.9° |
C05 | O01 | C01 | H011 | 73.8° | 64.5° |
C05 | O01 | C01 | H012 | 163.3° | 175.9° |
O01 | C05 | C04 | H041 | 51.7° | 44.5° |
O01 | C05 | C06 | H071 | 25.7° | 32.3° |
O01 | C05 | C06 | H072 | 148.1° | 153.7° |
C06 | C05 | C04 | H051 | 117.1° | 122.5° |
C06 | C05 | C04 | O04 | 74.5° | 79.2° |
C06 | C05 | C04 | C03 | 49.0° | 38.4° |
C05 | C06 | O03 | C03 | 0.3° | 2.4° |
C06 | C05 | O01 | C01 | 52.1° | 39.5° |
C05 | C06 | O03 | H071 | 118.8° | 119.4° |
C05 | C06 | O03 | H072 | 118.8° | 119.5° |
C06 | C05 | C04 | H041 | 167.8° | 155.9° |
C05 | C06 | H071 | H072 | 123.4° | 121.2° |
C05 | C04 | O04 | C03 | 123.7° | 109.9° |
C05 | C04 | O04 | H041 | 118.4° | 125.1° |
C05 | C04 | C03 | H041 | 118.7° | 117.6° |
C05 | C04 | C03 | O03 | 49.1° | 41.6° |
C05 | C04 | C03 | C02 | 67.3° | 71.5° |
C04 | C05 | O01 | C01 | 58.8° | 68.2° |
C04 | C05 | C06 | O03 | 26.2° | 23.8° |
C05 | C04 | C03 | H031 | 166.7° | 164.7° |
C04 | C05 | C06 | H071 | 145.0° | 143.1° |
C04 | C05 | C06 | H072 | 92.7° | 95.6° |
C05 | C04 | O04 | H081 | 180.0° | 70.0° |
O04 | C04 | C03 | H041 | 117.1° | 124.9° |
O04 | C04 | C03 | O03 | 75.0° | 76.0° |
O04 | C04 | C03 | C02 | 168.6° | 170.9° |
O04 | C04 | C03 | H031 | 42.5° | 47.1° |
O04 | C04 | C05 | H051 | 42.5° | 43.3° |
C04 | C03 | O03 | C02 | 119.0° | 112.4° |
C04 | C03 | O03 | H031 | 119.4° | 123.1° |
C04 | C03 | C02 | H031 | 127.1° | 123.8° |
C04 | C03 | C02 | O02 | 57.0° | 57.0° |
C04 | C03 | O03 | C06 | 25.9° | 28.1° |
C04 | C03 | C02 | H021 | 178.5° | 177.4° |
C03 | C04 | C05 | H051 | 166.1° | 160.9° |
C03 | C04 | O04 | H081 | 56.3° | 179.9° |
O03 | C03 | C02 | H031 | 121.3° | 124.6° |
O03 | C03 | C02 | O02 | 168.5° | 168.6° |
O03 | C03 | C02 | H021 | 69.9° | 71.0° |
O03 | C03 | C04 | H041 | 167.9° | 159.2° |
C03 | O03 | C06 | H071 | 119.1° | 117.0° |
C03 | O03 | C06 | H072 | 118.5° | 121.9° |
C03 | C02 | O02 | H021 | 121.0° | 120.3° |
C03 | C02 | C01 | O01 | 44.7° | 51.9° |
C02 | C03 | O03 | C06 | 93.1° | 84.3° |
C03 | C02 | C01 | H011 | 73.8° | 68.4° |
C03 | C02 | C01 | H012 | 163.3° | 172.1° |
C02 | C03 | C04 | H041 | 51.5° | 46.1° |
C03 | C02 | O02 | H101 | 60.9° | 179.3° |
O02 | C02 | C01 | O01 | 68.5° | 68.0° |
O02 | C02 | C01 | H011 | 172.9° | 171.7° |
O02 | C02 | C01 | H012 | 50.0° | 52.1° |
O02 | C02 | C03 | H031 | 70.1° | 66.8° |
O01 | C01 | H011 | H012 | 124.1° | 119.5° |
O01 | C01 | C02 | H021 | 169.2° | 171.6° |
C01 | O01 | C05 | H051 | 173.5° | 166.0° |
C06 | O03 | C03 | H031 | 145.3° | 151.2° |
O03 | C06 | C05 | H051 | 145.2° | 146.3° |
O03 | C06 | H071 | H072 | 123.4° | 121.0° |
H011 | C01 | C02 | H021 | 50.6° | 51.3° |
H012 | C01 | C02 | H021 | 72.3° | 68.2° |
H021 | C02 | C03 | H031 | 51.4° | 53.6° |
H021 | C02 | O02 | H101 | 60.1° | 60.3° |
H031 | C03 | C04 | H041 | 74.6° | 77.7° |
H041 | C04 | C05 | H051 | 75.1° | 81.6° |
H041 | C04 | O04 | H081 | 61.6° | 55.1° |
H051 | C05 | C06 | H071 | 96.0° | 94.4° |
H051 | C05 | C06 | H072 | 26.3° | 26.9° |