ADA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | O5 | sing | 1.42Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.51Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6B | sing | 1.34Å | 1.24Å | |
C6 | O6A | doub | 1.21Å | 1.22Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6B | HO6B | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 113.2° | 109.4° |
C2 | C1 | O5 | 112.2° | 109.7° |
C2 | C1 | H1 | 107.0° | 109.4° |
C1 | C2 | C3 | 115.6° | 109.1° |
C1 | C2 | O2 | 109.3° | 109.6° |
C1 | C2 | H2 | 107.3° | 109.5° |
O1 | C1 | O5 | 110.1° | 109.5° |
O1 | C1 | H1 | 107.0° | 109.4° |
C1 | O1 | HO1 | 113.2° | 106.8° |
O5 | C1 | H1 | 107.0° | 109.5° |
C1 | O5 | C5 | 119.2° | 107.7° |
C3 | C2 | O2 | 109.8° | 109.6° |
C3 | C2 | H2 | 107.2° | 109.6° |
C2 | C3 | C4 | 115.1° | 108.7° |
C2 | C3 | O3 | 107.9° | 109.8° |
C2 | C3 | H3 | 108.0° | 109.7° |
O2 | C2 | H2 | 107.3° | 109.5° |
C2 | O2 | HO2 | 109.3° | 106.8° |
C4 | C3 | O3 | 109.6° | 109.6° |
C4 | C3 | H3 | 108.0° | 109.6° |
C3 | C4 | C5 | 107.1° | 109.0° |
C3 | C4 | O4 | 113.1° | 109.6° |
C3 | C4 | H4 | 110.6° | 109.6° |
O3 | C3 | H3 | 108.0° | 109.6° |
C3 | O3 | HO3 | 107.9° | 106.8° |
C5 | C4 | O4 | 104.7° | 109.5° |
C5 | C4 | H4 | 110.6° | 109.6° |
C4 | C5 | C6 | 106.3° | 109.4° |
C4 | C5 | O5 | 110.9° | 109.8° |
C4 | C5 | H5 | 109.6° | 109.4° |
O4 | C4 | H4 | 110.6° | 109.6° |
C4 | O4 | HO4 | 113.1° | 106.8° |
C6 | C5 | O5 | 110.7° | 109.5° |
C6 | C5 | H5 | 109.6° | 109.4° |
C5 | C6 | O6B | 120.3° | 120.0° |
C5 | C6 | O6A | 120.2° | 120.0° |
O5 | C5 | H5 | 109.7° | 109.4° |
O6B | C6 | O6A | 119.5° | 120.0° |
C6 | O6B | HO6B | 120.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 126.5° | 120.3° |
C2 | C1 | O1 | H1 | 117.6° | 119.8° |
C2 | C1 | O5 | H1 | 117.1° | 120.0° |
C1 | C2 | C3 | O2 | 124.2° | 119.9° |
C1 | C2 | C3 | H2 | 119.6° | 119.9° |
C1 | C2 | O2 | H2 | 116.0° | 120.1° |
C1 | C2 | C3 | C4 | 37.8° | 53.7° |
C1 | C2 | C3 | O3 | 160.5° | 173.6° |
C1 | C2 | C3 | H3 | 82.9° | 66.0° |
C2 | C1 | O5 | C5 | 46.7° | 67.5° |
C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
O1 | C1 | O5 | H1 | 115.9° | 119.9° |
O1 | C1 | C2 | C3 | 92.0° | 58.8° |
O1 | C1 | C2 | O2 | 32.5° | 61.1° |
O1 | C1 | C2 | H2 | 148.5° | 178.8° |
O1 | C1 | O5 | C5 | 80.3° | 52.5° |
O5 | C1 | C2 | C3 | 33.4° | 61.3° |
O5 | C1 | C2 | O2 | 157.8° | 178.8° |
O5 | C1 | C2 | H2 | 86.2° | 58.7° |
C1 | O5 | C5 | C4 | 61.1° | 67.6° |
C1 | O5 | C5 | C6 | 178.8° | 172.3° |
C1 | O5 | C5 | H5 | 60.1° | 52.5° |
O5 | C1 | O1 | HO1 | 53.5° | 59.9° |
H1 | C1 | C2 | C3 | 150.4° | 178.7° |
H1 | C1 | C2 | O2 | 85.1° | 58.7° |
H1 | C1 | C2 | H2 | 30.8° | 61.4° |
H1 | C1 | O5 | C5 | 163.8° | 172.4° |
H1 | C1 | O1 | HO1 | 62.4° | 60.1° |
C3 | C2 | O2 | H2 | 116.2° | 120.2° |
C2 | C3 | C4 | O3 | 121.8° | 120.0° |
C2 | C3 | C4 | H3 | 120.7° | 119.8° |
C2 | C3 | O3 | H3 | 116.5° | 120.5° |
C2 | C3 | C4 | C5 | 48.1° | 53.7° |
C2 | C3 | C4 | O4 | 66.7° | 66.2° |
C2 | C3 | C4 | H4 | 168.6° | 173.6° |
C3 | C2 | O2 | HO2 | 52.2° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.7° |
O2 | C2 | C3 | C4 | 162.0° | 173.7° |
O2 | C2 | C3 | O3 | 75.3° | 66.5° |
O2 | C2 | C3 | H3 | 41.3° | 53.9° |
H2 | C2 | C3 | C4 | 81.8° | 66.1° |
H2 | C2 | C3 | O3 | 41.0° | 53.7° |
H2 | C2 | C3 | H3 | 157.5° | 174.1° |
H2 | C2 | O2 | HO2 | 64.0° | 59.7° |
C4 | C3 | O3 | H3 | 117.5° | 120.3° |
C3 | C4 | C5 | O4 | 120.3° | 119.9° |
C3 | C4 | C5 | H4 | 120.6° | 119.9° |
C3 | C4 | O4 | H4 | 124.6° | 120.2° |
C3 | C4 | C5 | C6 | 177.9° | 178.7° |
C3 | C4 | C5 | O5 | 57.5° | 61.2° |
C3 | C4 | C5 | H5 | 63.7° | 58.9° |
C4 | C3 | O3 | HO3 | 54.0° | 180.0° |
C3 | C4 | O4 | HO4 | 180.0° | 179.5° |
O3 | C3 | C4 | C5 | 169.9° | 173.6° |
O3 | C3 | C4 | O4 | 55.1° | 53.8° |
O3 | C3 | C4 | H4 | 69.6° | 66.5° |
H3 | C3 | C4 | C5 | 72.7° | 66.1° |
H3 | C3 | C4 | O4 | 172.5° | 174.0° |
H3 | C3 | C4 | H4 | 47.9° | 53.8° |
H3 | C3 | O3 | HO3 | 63.5° | 59.7° |
C5 | C4 | O4 | H4 | 119.1° | 120.2° |
C4 | C5 | C6 | O5 | 120.5° | 120.4° |
C4 | C5 | C6 | H5 | 118.4° | 119.8° |
C4 | C5 | O5 | H5 | 121.2° | 120.1° |
C4 | C5 | C6 | O6B | 23.4° | 59.7° |
C4 | C5 | C6 | O6A | 156.1° | 120.3° |
C5 | C4 | O4 | HO4 | 63.7° | 60.0° |
O4 | C4 | C5 | C6 | 57.5° | 61.4° |
O4 | C4 | C5 | O5 | 62.8° | 58.8° |
O4 | C4 | C5 | H5 | 175.9° | 178.8° |
H4 | C4 | C5 | C6 | 61.5° | 58.8° |
H4 | C4 | C5 | O5 | 178.1° | 179.0° |
H4 | C4 | C5 | H5 | 56.9° | 61.0° |
H4 | C4 | O4 | HO4 | 55.4° | 60.2° |
C6 | C5 | O5 | H5 | 121.1° | 119.8° |
C5 | C6 | O6B | O6A | 179.6° | 180.0° |
C5 | C6 | O6B | HO6B | 180.0° | 179.9° |
O5 | C5 | C6 | O6B | 143.9° | 179.9° |
O5 | C5 | C6 | O6A | 35.7° | 0.0° |
H5 | C5 | C6 | O6B | 95.0° | 60.1° |
H5 | C5 | C6 | O6A | 85.4° | 119.8° |
O6A | C6 | O6B | HO6B | 0.5° | 0.1° |