GCW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.41Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.53Å | 1.57Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.40Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.58Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.51Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6A | doub | 1.21Å | 1.25Å | |
C6 | O6B | sing | 1.34Å | 1.26Å | |
C7 | O4 | sing | 1.43Å | 1.46Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | 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) |
C1 | O1 | HO1 | 104.2° | 106.8° |
O1 | C1 | C2 | 104.3° | 109.4° |
O1 | C1 | O5 | 101.7° | 109.4° |
O1 | C1 | H1 | 117.4° | 109.3° |
C2 | C1 | O5 | 109.7° | 109.9° |
C2 | C1 | H1 | 110.4° | 109.4° |
C1 | C2 | C3 | 110.0° | 109.0° |
C1 | C2 | O2 | 106.3° | 109.7° |
C1 | C2 | H2 | 111.0° | 109.5° |
O5 | C1 | H1 | 112.6° | 109.4° |
C1 | O5 | C5 | 111.7° | 107.7° |
C3 | C2 | O2 | 108.8° | 109.6° |
C3 | C2 | H2 | 108.6° | 109.5° |
C2 | C3 | C4 | 109.9° | 108.7° |
C2 | C3 | O3 | 107.2° | 109.8° |
C2 | C3 | H3 | 111.6° | 109.6° |
O2 | C2 | H2 | 112.1° | 109.5° |
C2 | O2 | HO2 | 106.3° | 106.9° |
C4 | C3 | O3 | 111.8° | 109.6° |
C4 | C3 | H3 | 106.9° | 109.5° |
C3 | C4 | C5 | 105.9° | 109.1° |
C3 | C4 | O4 | 111.0° | 109.6° |
C3 | C4 | H4 | 111.2° | 109.5° |
O3 | C3 | H3 | 109.6° | 109.6° |
C3 | O3 | HO3 | 107.1° | 106.7° |
C5 | C4 | O4 | 110.5° | 109.5° |
C5 | C4 | H4 | 111.6° | 109.6° |
C4 | C5 | C6 | 111.3° | 109.5° |
C4 | C5 | O5 | 105.4° | 109.8° |
C4 | C5 | H5 | 109.5° | 109.3° |
O4 | C4 | H4 | 106.6° | 109.5° |
C4 | O4 | C7 | 117.6° | 106.9° |
C6 | C5 | O5 | 104.5° | 109.4° |
C6 | C5 | H5 | 110.2° | 109.4° |
C5 | C6 | O6A | 116.7° | 120.0° |
C5 | C6 | O6B | 115.8° | 120.0° |
O5 | C5 | H5 | 115.8° | 109.4° |
O6A | C6 | O6B | 127.2° | 120.0° |
C6 | O6B | HO6B | 115.8° | 119.9° |
O4 | C7 | H71 | 109.3° | 109.5° |
O4 | C7 | H72 | 117.6° | 109.5° |
O4 | C7 | H73 | 109.3° | 109.5° |
H71 | C7 | H72 | 109.3° | 109.5° |
H71 | C7 | H73 | 100.9° | 109.5° |
H72 | C7 | H73 | 109.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 108.3° | 120.1° |
O1 | C1 | C2 | H1 | 127.0° | 119.8° |
O1 | C1 | O5 | H1 | 126.6° | 119.7° |
O1 | C1 | C2 | C3 | 161.6° | 178.7° |
O1 | C1 | C2 | O2 | 80.7° | 58.7° |
O1 | C1 | C2 | H2 | 41.4° | 61.5° |
O1 | C1 | O5 | C5 | 172.8° | 172.4° |
HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
HO1 | O1 | C1 | O5 | 66.0° | 59.6° |
HO1 | O1 | C1 | H1 | 57.5° | 60.2° |
C2 | C1 | O5 | H1 | 123.4° | 120.1° |
C1 | C2 | C3 | O2 | 116.1° | 120.0° |
C1 | C2 | C3 | H2 | 121.6° | 119.8° |
C1 | C2 | O2 | H2 | 121.4° | 120.2° |
C1 | C2 | C3 | C4 | 54.5° | 53.6° |
C1 | C2 | C3 | O3 | 176.2° | 173.5° |
C1 | C2 | C3 | H3 | 63.8° | 66.0° |
C2 | C1 | O5 | C5 | 62.8° | 67.5° |
C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
O5 | C1 | C2 | C3 | 53.3° | 61.2° |
O5 | C1 | C2 | O2 | 171.0° | 178.8° |
O5 | C1 | C2 | H2 | 66.8° | 58.6° |
C1 | O5 | C5 | C4 | 69.5° | 67.4° |
C1 | O5 | C5 | C6 | 173.0° | 172.4° |
C1 | O5 | C5 | H5 | 51.6° | 52.6° |
H1 | C1 | C2 | C3 | 71.4° | 58.9° |
H1 | C1 | C2 | O2 | 46.3° | 61.1° |
H1 | C1 | C2 | H2 | 168.5° | 178.8° |
H1 | C1 | O5 | C5 | 60.6° | 52.6° |
C3 | C2 | O2 | H2 | 120.1° | 120.2° |
C2 | C3 | C4 | O3 | 118.9° | 120.0° |
C2 | C3 | C4 | H3 | 121.2° | 119.7° |
C2 | C3 | O3 | H3 | 121.2° | 120.4° |
C2 | C3 | C4 | C5 | 61.0° | 53.6° |
C2 | C3 | C4 | O4 | 179.0° | 173.6° |
C2 | C3 | C4 | H4 | 60.5° | 66.3° |
C3 | C2 | O2 | HO2 | 61.5° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.7° |
O2 | C2 | C3 | C4 | 170.6° | 173.7° |
O2 | C2 | C3 | O3 | 67.7° | 66.4° |
O2 | C2 | C3 | H3 | 52.3° | 54.0° |
H2 | C2 | C3 | C4 | 67.1° | 66.2° |
H2 | C2 | C3 | O3 | 54.6° | 53.7° |
H2 | C2 | C3 | H3 | 174.6° | 174.2° |
H2 | C2 | O2 | HO2 | 58.6° | 59.9° |
C4 | C3 | O3 | H3 | 118.3° | 120.3° |
C3 | C4 | C5 | O4 | 120.3° | 119.9° |
C3 | C4 | C5 | H4 | 121.2° | 119.9° |
C3 | C4 | O4 | H4 | 121.3° | 120.1° |
C3 | C4 | C5 | C6 | 179.1° | 178.8° |
C3 | C4 | C5 | O5 | 66.4° | 61.1° |
C3 | C4 | C5 | H5 | 58.8° | 58.9° |
C3 | C4 | O4 | C7 | 126.9° | 96.8° |
C4 | C3 | O3 | HO3 | 59.5° | 180.0° |
O3 | C3 | C4 | C5 | 179.8° | 173.6° |
O3 | C3 | C4 | O4 | 60.2° | 66.4° |
O3 | C3 | C4 | H4 | 58.3° | 53.7° |
H3 | C3 | C4 | C5 | 60.2° | 66.1° |
H3 | C3 | C4 | O4 | 59.8° | 53.9° |
H3 | C3 | C4 | H4 | 178.3° | 174.0° |
H3 | C3 | O3 | HO3 | 58.8° | 59.7° |
C5 | C4 | O4 | H4 | 121.5° | 120.2° |
C4 | C5 | C6 | O5 | 113.3° | 120.4° |
C4 | C5 | C6 | H5 | 121.7° | 119.8° |
C4 | C5 | O5 | H5 | 121.1° | 119.9° |
C4 | C5 | C6 | O6A | 75.1° | 116.8° |
C4 | C5 | C6 | O6B | 109.3° | 63.2° |
C5 | C4 | O4 | C7 | 115.9° | 143.5° |
O4 | C4 | C5 | C6 | 60.6° | 58.8° |
O4 | C4 | C5 | O5 | 173.3° | 179.0° |
O4 | C4 | C5 | H5 | 61.6° | 61.1° |
C4 | O4 | C7 | H71 | 54.7° | 179.5° |
C4 | O4 | C7 | H72 | 180.0° | 60.4° |
C4 | O4 | C7 | H73 | 54.8° | 59.5° |
H4 | C4 | C5 | C6 | 57.9° | 61.3° |
H4 | C4 | C5 | O5 | 54.8° | 58.8° |
H4 | C4 | C5 | H5 | 179.9° | 178.8° |
H4 | C4 | O4 | C7 | 5.6° | 23.3° |
C6 | C5 | O5 | H5 | 121.5° | 119.8° |
C5 | C6 | O6A | O6B | 175.0° | 180.0° |
C5 | C6 | O6B | HO6B | 180.0° | 179.9° |
O5 | C5 | C6 | O6A | 171.6° | 3.6° |
O5 | C5 | C6 | O6B | 3.9° | 176.4° |
H5 | C5 | C6 | O6A | 46.6° | 123.4° |
H5 | C5 | C6 | O6B | 129.0° | 56.6° |
O6A | C6 | O6B | HO6B | 5.0° | 0.1° |
O4 | C7 | H71 | H72 | 130.0° | 120.1° |
O4 | C7 | H71 | H73 | 115.0° | 120.0° |
O4 | C7 | H72 | H73 | 125.2° | 119.9° |
H71 | C7 | H72 | H73 | 109.5° | 120.0° |