AHR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C5 | sing | 1.43Å | 1.45Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C4 | O4 | sing | 1.44Å | 1.44Å | |
C4 | C3 | sing | 1.55Å | 1.50Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | C1 | sing | 1.43Å | 1.42Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C2 | sing | 1.55Å | 1.51Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | C1 | sing | 1.54Å | 1.50Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | O5 | HO5 | 108.6° | 106.8° |
O5 | C5 | C4 | 108.6° | 109.5° |
O5 | C5 | H51 | 112.5° | 109.5° |
O5 | C5 | H52 | 112.5° | 109.5° |
C4 | C5 | H51 | 112.5° | 109.5° |
C4 | C5 | H52 | 112.5° | 109.4° |
C5 | C4 | O4 | 113.3° | 110.4° |
C5 | C4 | C3 | 113.0° | 110.3° |
C5 | C4 | H4 | 108.4° | 110.3° |
H51 | C5 | H52 | 97.9° | 109.5° |
O4 | C4 | C3 | 105.3° | 105.2° |
O4 | C4 | H4 | 108.3° | 110.3° |
C4 | O4 | C1 | 112.3° | 110.0° |
C3 | C4 | H4 | 108.4° | 110.3° |
C4 | C3 | O3 | 103.7° | 111.3° |
C4 | C3 | C2 | 100.7° | 100.9° |
C4 | C3 | H3 | 114.4° | 111.0° |
O4 | C1 | C2 | 102.6° | 107.6° |
O4 | C1 | O1 | 109.5° | 109.8° |
O4 | C1 | H1 | 111.6° | 109.8° |
O3 | C3 | C2 | 107.7° | 111.2° |
O3 | C3 | H3 | 114.4° | 110.9° |
C3 | O3 | HO3 | 103.7° | 106.8° |
C2 | C3 | H3 | 114.4° | 111.1° |
C3 | C2 | O2 | 111.4° | 111.1° |
C3 | C2 | C1 | 105.4° | 102.3° |
C3 | C2 | H2 | 109.2° | 110.7° |
O2 | C2 | C1 | 112.3° | 110.9° |
O2 | C2 | H2 | 109.2° | 110.7° |
C2 | O2 | HO2 | 111.4° | 106.8° |
C1 | C2 | H2 | 109.2° | 110.8° |
C2 | C1 | O1 | 109.5° | 109.9° |
C2 | C1 | H1 | 111.6° | 109.8° |
O1 | C1 | H1 | 111.6° | 109.8° |
C1 | O1 | HO1 | 109.6° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | H51 | 125.3° | 120.0° |
O5 | C5 | C4 | H52 | 125.3° | 120.0° |
O5 | C5 | H51 | H52 | 118.4° | 120.1° |
O5 | C5 | C4 | O4 | 48.5° | 62.8° |
O5 | C5 | C4 | C3 | 168.1° | 178.7° |
O5 | C5 | C4 | H4 | 71.8° | 59.3° |
HO5 | O5 | C5 | C4 | 180.0° | 180.0° |
HO5 | O5 | C5 | H51 | 54.7° | 60.0° |
HO5 | O5 | C5 | H52 | 54.8° | 60.0° |
C4 | C5 | H51 | H52 | 118.5° | 119.9° |
C5 | C4 | O4 | C3 | 123.9° | 119.0° |
C5 | C4 | O4 | H4 | 120.3° | 122.1° |
C5 | C4 | C3 | H4 | 120.1° | 122.0° |
C5 | C4 | O4 | C1 | 135.0° | 143.4° |
C5 | C4 | C3 | O3 | 95.5° | 86.7° |
C5 | C4 | C3 | C2 | 153.1° | 155.3° |
C5 | C4 | C3 | H3 | 29.9° | 37.4° |
H51 | C5 | C4 | O4 | 173.8° | 177.2° |
H51 | C5 | C4 | C3 | 66.6° | 61.3° |
H51 | C5 | C4 | H4 | 53.5° | 60.7° |
H52 | C5 | C4 | O4 | 76.8° | 57.2° |
H52 | C5 | C4 | C3 | 42.9° | 58.6° |
H52 | C5 | C4 | H4 | 163.0° | 179.3° |
O4 | C4 | C3 | H4 | 115.8° | 119.0° |
O4 | C4 | C3 | O3 | 140.4° | 154.3° |
O4 | C4 | C3 | C2 | 29.0° | 36.3° |
O4 | C4 | C3 | H3 | 94.2° | 81.6° |
C4 | O4 | C1 | C2 | 12.2° | 1.8° |
C4 | O4 | C1 | O1 | 128.5° | 117.9° |
C4 | O4 | C1 | H1 | 107.4° | 121.3° |
C3 | C4 | O4 | C1 | 11.1° | 24.4° |
C4 | C3 | O3 | C2 | 106.2° | 111.6° |
C4 | C3 | O3 | H3 | 125.4° | 124.2° |
C4 | C3 | C2 | H3 | 123.3° | 117.8° |
C4 | C3 | O3 | HO3 | 180.0° | 173.0° |
C4 | C3 | C2 | O2 | 159.1° | 152.4° |
C4 | C3 | C2 | C1 | 37.0° | 34.0° |
C4 | C3 | C2 | H2 | 80.1° | 84.2° |
H4 | C4 | O4 | C1 | 104.7° | 94.5° |
H4 | C4 | C3 | O3 | 24.7° | 35.3° |
H4 | C4 | C3 | C2 | 86.7° | 82.7° |
H4 | C4 | C3 | H3 | 150.0° | 159.5° |
O4 | C1 | C2 | C3 | 30.9° | 21.2° |
O4 | C1 | C2 | O2 | 152.4° | 139.8° |
O4 | C1 | C2 | O1 | 116.3° | 119.6° |
O4 | C1 | C2 | H1 | 119.6° | 119.5° |
O4 | C1 | C2 | H2 | 86.3° | 96.8° |
O4 | C1 | O1 | H1 | 124.1° | 120.9° |
O4 | C1 | O1 | HO1 | 180.0° | 61.4° |
O3 | C3 | C2 | H3 | 128.5° | 124.1° |
O3 | C3 | C2 | O2 | 92.6° | 89.5° |
O3 | C3 | C2 | C1 | 145.3° | 152.1° |
O3 | C3 | C2 | H2 | 28.1° | 33.9° |
C2 | C3 | O3 | HO3 | 73.8° | 61.4° |
C3 | C2 | O2 | C1 | 118.0° | 113.1° |
C3 | C2 | O2 | H2 | 120.7° | 123.5° |
C3 | C2 | C1 | H2 | 117.2° | 118.1° |
C3 | C2 | O2 | HO2 | 180.0° | 174.5° |
C3 | C2 | C1 | O1 | 147.1° | 140.8° |
C3 | C2 | C1 | H1 | 88.8° | 98.3° |
H3 | C3 | O3 | HO3 | 54.6° | 62.8° |
H3 | C3 | C2 | O2 | 35.9° | 34.6° |
H3 | C3 | C2 | C1 | 86.2° | 83.8° |
H3 | C3 | C2 | H2 | 156.6° | 158.1° |
O2 | C2 | C1 | H2 | 121.3° | 123.4° |
O2 | C2 | C1 | O1 | 91.3° | 100.6° |
O2 | C2 | C1 | H1 | 32.7° | 20.2° |
C1 | C2 | O2 | HO2 | 62.0° | 61.4° |
C2 | C1 | O1 | H1 | 124.1° | 120.9° |
C2 | C1 | O1 | HO1 | 68.2° | 179.7° |
H2 | C2 | O2 | HO2 | 59.3° | 62.1° |
H2 | C2 | C1 | O1 | 30.0° | 22.8° |
H2 | C2 | C1 | H1 | 154.0° | 143.7° |
H1 | C1 | O1 | HO1 | 55.9° | 59.4° |