GAD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.42Å | 1.45Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | C3 | sing | 1.54Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.51Å | 1.56Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | C5 | doub | 1.32Å | 1.34Å | |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | C6 | sing | 1.47Å | 1.54Å | |
C5 | O5 | sing | 1.34Å | 1.44Å | |
C6 | O6A | doub | 1.21Å | 1.28Å | |
C6 | O6B | sing | 1.35Å | 1.26Å | |
O6B | HO6B | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 100.9° | 109.2° |
C2 | C1 | H11 | 115.5° | 109.5° |
C2 | C1 | H12 | 115.5° | 109.5° |
C1 | C2 | O2 | 112.0° | 109.9° |
C1 | C2 | C3 | 110.9° | 107.5° |
C1 | C2 | H2 | 105.7° | 109.8° |
O5 | C1 | H11 | 115.5° | 109.5° |
O5 | C1 | H12 | 115.5° | 109.5° |
C1 | O5 | C5 | 111.1° | 110.2° |
H11 | C1 | H12 | 95.0° | 109.6° |
O2 | C2 | C3 | 105.7° | 109.9° |
O2 | C2 | H2 | 110.8° | 109.9° |
C2 | O2 | HO2 | 112.0° | 106.8° |
C3 | C2 | H2 | 111.9° | 109.9° |
C2 | C3 | O3 | 110.3° | 109.9° |
C2 | C3 | C4 | 112.8° | 108.1° |
C2 | C3 | H3 | 109.6° | 109.6° |
O3 | C3 | C4 | 117.0° | 109.8° |
O3 | C3 | H3 | 104.6° | 109.7° |
C3 | O3 | HO3 | 110.3° | 106.8° |
C4 | C3 | H3 | 101.7° | 109.8° |
C3 | C4 | C5 | 119.4° | 122.4° |
C3 | C4 | H4 | 127.7° | 118.8° |
C5 | C4 | H4 | 112.8° | 118.8° |
C4 | C5 | C6 | 128.6° | 116.8° |
C4 | C5 | O5 | 114.2° | 126.4° |
C6 | C5 | O5 | 117.1° | 116.8° |
C5 | C6 | O6A | 124.0° | 119.9° |
C5 | C6 | O6B | 110.4° | 120.0° |
O6A | C6 | O6B | 125.6° | 120.0° |
C6 | O6B | HO6B | 110.4° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | H11 | 125.2° | 119.9° |
C2 | C1 | O5 | H12 | 125.3° | 119.9° |
C2 | C1 | H11 | H12 | 121.3° | 120.1° |
C1 | C2 | O2 | C3 | 120.9° | 118.0° |
C1 | C2 | O2 | H2 | 117.7° | 121.0° |
C1 | C2 | C3 | H2 | 117.7° | 119.5° |
C1 | C2 | O2 | HO2 | 180.0° | 60.9° |
C1 | C2 | C3 | O3 | 140.8° | 162.4° |
C1 | C2 | C3 | C4 | 8.0° | 42.6° |
C1 | C2 | C3 | H3 | 104.5° | 77.0° |
C2 | C1 | O5 | C5 | 79.0° | 57.0° |
O5 | C1 | H11 | H12 | 121.4° | 120.1° |
O5 | C1 | C2 | O2 | 174.2° | 171.8° |
O5 | C1 | C2 | C3 | 56.4° | 68.6° |
O5 | C1 | C2 | H2 | 65.1° | 50.9° |
C1 | O5 | C5 | C4 | 43.8° | 23.8° |
C1 | O5 | C5 | C6 | 133.0° | 156.1° |
H11 | C1 | C2 | O2 | 60.5° | 51.9° |
H11 | C1 | C2 | C3 | 178.3° | 171.5° |
H11 | C1 | C2 | H2 | 60.2° | 69.0° |
H11 | C1 | O5 | C5 | 155.7° | 176.9° |
H12 | C1 | C2 | O2 | 48.9° | 68.3° |
H12 | C1 | C2 | C3 | 68.9° | 51.3° |
H12 | C1 | C2 | H2 | 169.6° | 170.8° |
H12 | C1 | O5 | C5 | 46.2° | 62.9° |
O2 | C2 | C3 | H2 | 120.7° | 121.0° |
O2 | C2 | C3 | O3 | 97.6° | 78.1° |
O2 | C2 | C3 | C4 | 129.6° | 162.2° |
O2 | C2 | C3 | H3 | 17.1° | 42.6° |
C3 | C2 | O2 | HO2 | 59.2° | 178.9° |
C2 | C3 | O3 | C4 | 130.6° | 118.7° |
C2 | C3 | O3 | H3 | 117.8° | 120.5° |
C2 | C3 | C4 | H3 | 117.3° | 119.5° |
C2 | C3 | O3 | HO3 | 180.0° | 178.8° |
C2 | C3 | C4 | C5 | 30.0° | 11.8° |
C2 | C3 | C4 | H4 | 150.0° | 168.0° |
H2 | C2 | O2 | HO2 | 62.3° | 60.1° |
H2 | C2 | C3 | O3 | 23.1° | 42.9° |
H2 | C2 | C3 | C4 | 109.7° | 76.9° |
H2 | C2 | C3 | H3 | 137.8° | 163.5° |
O3 | C3 | C4 | H3 | 113.2° | 120.7° |
O3 | C3 | C4 | C5 | 99.4° | 131.7° |
O3 | C3 | C4 | H4 | 80.6° | 48.2° |
C4 | C3 | O3 | HO3 | 49.4° | 60.0° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 170.5° | 179.3° |
C3 | C4 | C5 | O5 | 13.1° | 0.7° |
H3 | C3 | O3 | HO3 | 62.2° | 60.7° |
H3 | C3 | C4 | C5 | 147.3° | 107.7° |
H3 | C3 | C4 | H4 | 32.7° | 72.5° |
C4 | C5 | C6 | O5 | 176.3° | 180.0° |
C4 | C5 | C6 | O6A | 3.4° | 0.0° |
C4 | C5 | C6 | O6B | 175.2° | 180.0° |
H4 | C4 | C5 | C6 | 9.5° | 0.9° |
H4 | C4 | C5 | O5 | 166.9° | 179.2° |
C5 | C6 | O6A | O6B | 178.3° | 180.0° |
C5 | C6 | O6B | HO6B | 180.0° | 180.0° |
O5 | C5 | C6 | O6A | 172.9° | 180.0° |
O5 | C5 | C6 | O6B | 8.6° | 0.0° |
O6A | C6 | O6B | HO6B | 1.5° | 0.0° |