GCB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.50Å | |
C1 | O1 | doub | 1.21Å | 1.19Å | |
C1 | O5 | sing | 1.35Å | 1.36Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.51Å | 1.50Å | |
C5 | O5 | sing | 1.46Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6B | sing | 1.34Å | 1.25Å | |
C6 | O6A | doub | 1.21Å | 1.25Å | |
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 | 116.6° | 121.2° |
C2 | C1 | O5 | 122.3° | 117.6° |
C1 | C2 | C3 | 109.9° | 108.4° |
C1 | C2 | O2 | 113.2° | 109.6° |
C1 | C2 | H2 | 106.1° | 109.7° |
O1 | C1 | O5 | 121.0° | 121.2° |
C1 | O5 | C5 | 123.5° | 117.9° |
C3 | C2 | O2 | 107.7° | 109.8° |
C3 | C2 | H2 | 111.8° | 109.6° |
C2 | C3 | C4 | 108.3° | 109.2° |
C2 | C3 | O3 | 108.2° | 109.5° |
C2 | C3 | H3 | 111.9° | 109.5° |
O2 | C2 | H2 | 108.3° | 109.7° |
C2 | O2 | HO2 | 109.5° | 106.8° |
C4 | C3 | O3 | 111.8° | 109.5° |
C4 | C3 | H3 | 108.3° | 109.5° |
C3 | C4 | C5 | 108.8° | 109.4° |
C3 | C4 | O4 | 109.1° | 109.5° |
C3 | C4 | H4 | 109.7° | 109.5° |
O3 | C3 | H3 | 108.4° | 109.5° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C5 | C4 | O4 | 108.3° | 109.5° |
C5 | C4 | H4 | 110.6° | 109.5° |
C4 | C5 | C6 | 114.9° | 109.5° |
C4 | C5 | O5 | 115.1° | 108.9° |
C4 | C5 | H5 | 103.6° | 109.6° |
O4 | C4 | H4 | 110.3° | 109.5° |
C4 | O4 | HO4 | 109.5° | 106.9° |
C6 | C5 | O5 | 116.0° | 109.7° |
C6 | C5 | H5 | 102.4° | 109.6° |
C5 | C6 | O6B | 117.6° | 120.0° |
C5 | C6 | O6A | 119.2° | 120.0° |
O5 | C5 | H5 | 102.1° | 109.6° |
O6B | C6 | O6A | 123.2° | 120.0° |
C6 | O6B | HO6B | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 178.4° | 180.0° |
C1 | C2 | C3 | O2 | 123.6° | 119.8° |
C1 | C2 | C3 | H2 | 117.5° | 119.7° |
C1 | C2 | O2 | H2 | 117.3° | 120.5° |
C1 | C2 | C3 | C4 | 55.9° | 53.7° |
C1 | C2 | C3 | O3 | 177.2° | 173.6° |
C1 | C2 | C3 | H3 | 63.4° | 66.3° |
C2 | C1 | O5 | C5 | 1.8° | 47.8° |
C1 | C2 | O2 | HO2 | 5.2° | 60.0° |
O1 | C1 | C2 | C3 | 154.3° | 132.2° |
O1 | C1 | C2 | O2 | 33.9° | 12.4° |
O1 | C1 | C2 | H2 | 84.8° | 108.1° |
O1 | C1 | O5 | C5 | 179.9° | 132.1° |
O5 | C1 | C2 | C3 | 24.1° | 47.8° |
O5 | C1 | C2 | O2 | 144.5° | 167.6° |
O5 | C1 | C2 | H2 | 96.9° | 71.9° |
C1 | O5 | C5 | C4 | 5.3° | 50.6° |
C1 | O5 | C5 | C6 | 143.3° | 170.4° |
C1 | O5 | C5 | H5 | 106.3° | 69.3° |
C3 | C2 | O2 | H2 | 121.1° | 120.5° |
C2 | C3 | C4 | O3 | 119.1° | 119.9° |
C2 | C3 | C4 | H3 | 121.5° | 120.0° |
C2 | C3 | O3 | H3 | 121.5° | 120.2° |
C2 | C3 | C4 | C5 | 62.8° | 61.0° |
C2 | C3 | C4 | O4 | 179.2° | 179.0° |
C2 | C3 | C4 | H4 | 58.3° | 59.0° |
C3 | C2 | O2 | HO2 | 116.4° | 179.0° |
C2 | C3 | O3 | HO3 | 81.0° | 60.2° |
O2 | C2 | C3 | C4 | 179.5° | 173.5° |
O2 | C2 | C3 | O3 | 59.2° | 66.6° |
O2 | C2 | C3 | H3 | 60.2° | 53.5° |
H2 | C2 | C3 | C4 | 61.6° | 66.0° |
H2 | C2 | C3 | O3 | 59.7° | 53.9° |
H2 | C2 | C3 | H3 | 179.1° | 174.0° |
H2 | C2 | O2 | HO2 | 122.6° | 60.5° |
C4 | C3 | O3 | H3 | 119.3° | 120.1° |
C3 | C4 | C5 | O4 | 118.5° | 120.0° |
C3 | C4 | C5 | H4 | 120.6° | 120.0° |
C3 | C4 | O4 | H4 | 120.6° | 120.1° |
C3 | C4 | C5 | C6 | 176.2° | 176.4° |
C3 | C4 | C5 | O5 | 37.7° | 56.5° |
C3 | C4 | C5 | H5 | 72.9° | 63.3° |
C4 | C3 | O3 | HO3 | 159.8° | 179.9° |
C3 | C4 | O4 | HO4 | 69.1° | 180.0° |
O3 | C3 | C4 | C5 | 178.1° | 179.0° |
O3 | C3 | C4 | O4 | 60.1° | 59.1° |
O3 | C3 | C4 | H4 | 60.8° | 61.0° |
H3 | C3 | C4 | C5 | 58.7° | 59.0° |
H3 | C3 | C4 | O4 | 59.3° | 61.0° |
H3 | C3 | C4 | H4 | 179.8° | 178.9° |
H3 | C3 | O3 | HO3 | 40.5° | 60.0° |
C5 | C4 | O4 | H4 | 121.1° | 120.0° |
C4 | C5 | C6 | O5 | 138.1° | 119.4° |
C4 | C5 | C6 | H5 | 111.6° | 120.3° |
C4 | C5 | O5 | H5 | 111.5° | 119.9° |
C4 | C5 | C6 | O6B | 92.9° | 65.0° |
C4 | C5 | C6 | O6A | 88.3° | 115.0° |
C5 | C4 | O4 | HO4 | 49.2° | 60.0° |
O4 | C4 | C5 | C6 | 65.3° | 63.5° |
O4 | C4 | C5 | O5 | 156.2° | 176.5° |
O4 | C4 | C5 | H5 | 45.6° | 56.7° |
H4 | C4 | C5 | C6 | 55.6° | 56.4° |
H4 | C4 | C5 | O5 | 82.9° | 63.5° |
H4 | C4 | C5 | H5 | 166.5° | 176.7° |
H4 | C4 | O4 | HO4 | 170.3° | 59.9° |
C6 | C5 | O5 | H5 | 110.4° | 120.3° |
C5 | C6 | O6B | O6A | 178.8° | 180.0° |
C5 | C6 | O6B | HO6B | 178.8° | 180.0° |
O5 | C5 | C6 | O6B | 129.0° | 175.6° |
O5 | C5 | C6 | O6A | 49.9° | 4.4° |
H5 | C5 | C6 | O6B | 18.7° | 55.3° |
H5 | C5 | C6 | O6A | 160.1° | 124.7° |
O6A | C6 | O6B | HO6B | 0.0° | 0.0° |