GCD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.54Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.51Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | doub | 1.32Å | 1.53Å | |
C5 | C6 | sing | 1.47Å | 1.53Å | |
C5 | O5 | sing | 1.35Å | 1.43Å | |
C6 | O6A | doub | 1.21Å | 1.35Å | |
C6 | O6B | sing | 1.35Å | 1.22Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
O6B | HOB | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 120.7° | 109.7° |
C2 | C1 | O5 | 109.5° | 108.3° |
C2 | C1 | H1 | 100.0° | 109.7° |
C1 | C2 | C3 | 105.6° | 108.3° |
C1 | C2 | O2 | 109.9° | 109.6° |
C1 | C2 | H2 | 109.3° | 109.7° |
O1 | C1 | O5 | 119.9° | 109.8° |
O1 | C1 | H1 | 100.9° | 109.7° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O5 | C1 | H1 | 100.8° | 109.7° |
C1 | O5 | C5 | 113.0° | 117.6° |
C3 | C2 | O2 | 111.3° | 109.7° |
C3 | C2 | H2 | 109.6° | 109.7° |
C2 | C3 | C4 | 116.0° | 109.4° |
C2 | C3 | O3 | 103.4° | 109.4° |
C2 | C3 | H3 | 108.6° | 109.5° |
O2 | C2 | H2 | 110.9° | 109.8° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 111.0° | 109.5° |
C4 | C3 | H3 | 108.5° | 109.5° |
C3 | C4 | C5 | 118.4° | 122.3° |
C3 | C4 | H4 | 120.8° | 118.8° |
O3 | C3 | H3 | 109.1° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C5 | C6 | 125.2° | 118.4° |
C4 | C5 | O5 | 117.1° | 123.1° |
C5 | C4 | H4 | 120.8° | 118.9° |
C6 | C5 | O5 | 117.2° | 118.5° |
C5 | C6 | O6A | 119.7° | 120.1° |
C5 | C6 | O6B | 118.6° | 120.0° |
O6A | C6 | O6B | 121.3° | 120.0° |
C6 | O6B | HOB | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 142.0° | 118.9° |
C2 | C1 | O1 | H1 | 108.7° | 120.6° |
C2 | C1 | O5 | H1 | 104.8° | 119.6° |
C1 | C2 | C3 | O2 | 119.2° | 119.6° |
C1 | C2 | C3 | H2 | 117.7° | 119.7° |
C1 | C2 | O2 | H2 | 121.0° | 120.6° |
C1 | C2 | C3 | C4 | 40.3° | 47.2° |
C1 | C2 | C3 | O3 | 162.1° | 167.2° |
C1 | C2 | C3 | H3 | 82.1° | 72.8° |
C2 | C1 | O5 | C5 | 67.4° | 47.8° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 109.4° | 120.6° |
O1 | C1 | C2 | C3 | 145.9° | 177.3° |
O1 | C1 | C2 | O2 | 25.7° | 57.6° |
O1 | C1 | C2 | H2 | 96.3° | 63.0° |
O1 | C1 | O5 | C5 | 146.8° | 167.5° |
O5 | C1 | C2 | C3 | 68.7° | 62.9° |
O5 | C1 | C2 | O2 | 171.2° | 177.4° |
O5 | C1 | C2 | H2 | 49.2° | 56.8° |
C1 | O5 | C5 | C4 | 34.4° | 16.6° |
C1 | O5 | C5 | C6 | 153.8° | 163.4° |
O5 | C1 | O1 | HO1 | 38.0° | 61.1° |
H1 | C1 | C2 | C3 | 36.7° | 56.7° |
H1 | C1 | C2 | O2 | 83.5° | 63.0° |
H1 | C1 | C2 | H2 | 154.5° | 176.4° |
H1 | C1 | O5 | C5 | 37.4° | 71.9° |
H1 | C1 | O1 | HO1 | 71.3° | 59.5° |
C3 | C2 | O2 | H2 | 122.4° | 120.7° |
C2 | C3 | C4 | O3 | 117.6° | 119.9° |
C2 | C3 | C4 | H3 | 122.5° | 120.0° |
C2 | C3 | O3 | H3 | 115.4° | 120.0° |
C2 | C3 | C4 | C5 | 12.4° | 17.6° |
C3 | C2 | O2 | HO2 | 63.3° | 178.8° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | H4 | 167.6° | 162.5° |
O2 | C2 | C3 | C4 | 159.5° | 166.8° |
O2 | C2 | C3 | O3 | 78.7° | 73.2° |
O2 | C2 | C3 | H3 | 37.1° | 46.8° |
H2 | C2 | C3 | C4 | 77.4° | 72.5° |
H2 | C2 | C3 | O3 | 44.4° | 47.5° |
H2 | C2 | C3 | H3 | 160.2° | 167.5° |
H2 | C2 | O2 | HO2 | 59.0° | 60.5° |
C4 | C3 | O3 | H3 | 119.6° | 120.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 178.2° | 179.6° |
C3 | C4 | C5 | O5 | 7.2° | 0.3° |
C4 | C3 | O3 | HO3 | 55.0° | 60.0° |
O3 | C3 | C4 | C5 | 130.0° | 137.5° |
O3 | C3 | C4 | H4 | 50.0° | 42.5° |
H3 | C3 | C4 | C5 | 110.1° | 102.4° |
H3 | C3 | O3 | HO3 | 64.6° | 60.0° |
H3 | C3 | C4 | H4 | 69.9° | 77.5° |
C4 | C5 | C6 | O5 | 171.1° | 180.0° |
C4 | C5 | C6 | O6A | 48.2° | 0.0° |
C4 | C5 | C6 | O6B | 138.9° | 180.0° |
C5 | C6 | O6A | O6B | 172.7° | 180.0° |
C6 | C5 | C4 | H4 | 1.8° | 0.3° |
C5 | C6 | O6B | HOB | 172.8° | 180.0° |
O5 | C5 | C6 | O6A | 140.8° | 180.0° |
O5 | C5 | C6 | O6B | 32.1° | 0.0° |
O5 | C5 | C4 | H4 | 172.8° | 179.7° |
O6A | C6 | O6B | HOB | 0.0° | 0.1° |