GCO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.35Å | |
C1 | O1A | doub | 1.21Å | 1.37Å | |
C1 | O1B | sing | 1.34Å | 1.29Å | |
C2 | C3 | sing | 1.53Å | 1.43Å | |
C2 | O2 | sing | 1.43Å | 1.37Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C3 | O3 | sing | 1.43Å | 1.40Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.49Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.49Å | |
C5 | O5 | sing | 1.43Å | 1.46Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O1B | HO1B | 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 | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1A | 103.1° | 120.1° |
C2 | C1 | O1B | 102.5° | 120.0° |
C1 | C2 | C3 | 123.9° | 109.6° |
C1 | C2 | O2 | 94.1° | 109.4° |
C1 | C2 | H2 | 110.8° | 109.5° |
O1A | C1 | O1B | 97.1° | 120.0° |
C1 | O1B | HO1B | 102.5° | 120.1° |
C3 | C2 | O2 | 109.0° | 109.5° |
C3 | C2 | H2 | 96.4° | 109.5° |
C2 | C3 | C4 | 110.4° | 109.5° |
C2 | C3 | O3 | 102.1° | 109.5° |
C2 | C3 | H3 | 115.7° | 109.5° |
O2 | C2 | H2 | 125.2° | 109.4° |
C2 | O2 | HO2 | 94.2° | 106.8° |
C4 | C3 | O3 | 115.0° | 109.4° |
C4 | C3 | H3 | 103.0° | 109.4° |
C3 | C4 | C5 | 107.9° | 109.5° |
C3 | C4 | O4 | 111.5° | 109.5° |
C3 | C4 | H4 | 108.3° | 109.4° |
O3 | C3 | H3 | 111.1° | 109.4° |
C3 | O3 | HO3 | 102.1° | 106.8° |
C5 | C4 | O4 | 106.8° | 109.5° |
C5 | C4 | H4 | 112.9° | 109.4° |
C4 | C5 | C6 | 116.1° | 109.5° |
C4 | C5 | O5 | 104.2° | 109.5° |
C4 | C5 | H5 | 107.4° | 109.4° |
O4 | C4 | H4 | 109.4° | 109.5° |
C4 | O4 | HO4 | 111.5° | 106.8° |
C6 | C5 | O5 | 105.0° | 109.5° |
C6 | C5 | H5 | 106.6° | 109.5° |
C5 | C6 | O6 | 113.3° | 109.5° |
C5 | C6 | H61 | 110.8° | 109.5° |
C5 | C6 | H62 | 110.8° | 109.5° |
O5 | C5 | H5 | 118.0° | 109.4° |
C5 | O5 | HO5 | 104.2° | 106.7° |
O6 | C6 | H61 | 110.8° | 109.4° |
O6 | C6 | H62 | 110.8° | 109.4° |
C6 | O6 | HO6 | 113.2° | 106.9° |
H61 | C6 | H62 | 99.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1A | O1B | 104.7° | 180.0° |
C1 | C2 | C3 | O2 | 108.8° | 120.0° |
C1 | C2 | C3 | H2 | 120.4° | 120.0° |
C1 | C2 | O2 | H2 | 119.1° | 120.0° |
C1 | C2 | C3 | C4 | 68.8° | 180.0° |
C1 | C2 | C3 | O3 | 168.5° | 60.0° |
C1 | C2 | C3 | H3 | 47.6° | 60.0° |
C2 | C1 | O1B | HO1B | 180.0° | 179.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1A | C1 | C2 | C3 | 178.2° | 120.0° |
O1A | C1 | C2 | O2 | 65.6° | 0.0° |
O1A | C1 | C2 | H2 | 64.7° | 120.0° |
O1A | C1 | O1B | HO1B | 74.8° | 0.0° |
O1B | C1 | C2 | C3 | 77.7° | 60.0° |
O1B | C1 | C2 | O2 | 166.1° | 180.0° |
O1B | C1 | C2 | H2 | 35.8° | 60.1° |
C3 | C2 | O2 | H2 | 112.8° | 120.0° |
C2 | C3 | C4 | O3 | 114.9° | 120.0° |
C2 | C3 | C4 | H3 | 124.1° | 120.0° |
C2 | C3 | O3 | H3 | 123.9° | 120.0° |
C2 | C3 | C4 | C5 | 120.9° | 180.0° |
C2 | C3 | C4 | O4 | 122.1° | 60.0° |
C2 | C3 | C4 | H4 | 1.6° | 60.0° |
C3 | C2 | O2 | HO2 | 51.9° | 60.1° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 177.6° | 60.0° |
O2 | C2 | C3 | O3 | 59.6° | 60.0° |
O2 | C2 | C3 | H3 | 61.2° | 180.0° |
H2 | C2 | C3 | C4 | 51.6° | 60.0° |
H2 | C2 | C3 | O3 | 71.1° | 180.0° |
H2 | C2 | C3 | H3 | 168.0° | 60.0° |
H2 | C2 | O2 | HO2 | 60.9° | 180.0° |
C4 | C3 | O3 | H3 | 116.5° | 119.9° |
C3 | C4 | C5 | O4 | 120.0° | 120.0° |
C3 | C4 | C5 | H4 | 119.7° | 120.0° |
C3 | C4 | O4 | H4 | 119.8° | 120.0° |
C3 | C4 | C5 | C6 | 159.1° | 180.0° |
C3 | C4 | C5 | O5 | 86.0° | 59.9° |
C3 | C4 | C5 | H5 | 39.9° | 60.0° |
C4 | C3 | O3 | HO3 | 60.5° | 60.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 124.2° | 60.0° |
O3 | C3 | C4 | O4 | 7.2° | 60.0° |
O3 | C3 | C4 | H4 | 113.2° | 179.9° |
H3 | C3 | C4 | C5 | 3.1° | 59.9° |
H3 | C3 | C4 | O4 | 113.9° | 180.0° |
H3 | C3 | C4 | H4 | 125.7° | 60.0° |
H3 | C3 | O3 | HO3 | 56.0° | 180.0° |
C5 | C4 | O4 | H4 | 122.6° | 119.9° |
C4 | C5 | C6 | O5 | 114.4° | 120.1° |
C4 | C5 | C6 | H5 | 119.6° | 120.0° |
C4 | C5 | O5 | H5 | 119.0° | 119.9° |
C4 | C5 | C6 | O6 | 31.8° | 180.0° |
C4 | C5 | C6 | H61 | 157.1° | 60.0° |
C4 | C5 | C6 | H62 | 93.5° | 60.0° |
C5 | C4 | O4 | HO4 | 62.3° | 60.1° |
C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
O4 | C4 | C5 | C6 | 39.1° | 60.0° |
O4 | C4 | C5 | O5 | 154.0° | 180.0° |
O4 | C4 | C5 | H5 | 80.1° | 60.0° |
H4 | C4 | C5 | C6 | 81.2° | 60.0° |
H4 | C4 | C5 | O5 | 33.7° | 60.0° |
H4 | C4 | C5 | H5 | 159.6° | 180.0° |
H4 | C4 | O4 | HO4 | 60.2° | 180.0° |
C6 | C5 | O5 | H5 | 118.5° | 120.0° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 116.6° | 120.0° |
C6 | C5 | O5 | HO5 | 57.6° | 60.1° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 82.7° | 59.9° |
O5 | C5 | C6 | H61 | 42.6° | 60.1° |
O5 | C5 | C6 | H62 | 152.1° | 179.9° |
H5 | C5 | C6 | O6 | 151.4° | 60.0° |
H5 | C5 | C6 | H61 | 83.3° | 180.0° |
H5 | C5 | C6 | H62 | 26.1° | 60.0° |
H5 | C5 | O5 | HO5 | 61.0° | 180.0° |
O6 | C6 | H61 | H62 | 116.7° | 119.9° |
H61 | C6 | O6 | HO6 | 54.8° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 60.0° |