GCV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | O4 | sing | 1.43Å | 1.41Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.12Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.45Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C5 | O5 | sing | 1.42Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6A | doub | 1.21Å | 1.21Å | |
C6 | O6B | sing | 1.34Å | 1.26Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
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) |
O4 | C7 | H71 | 113.8° | 109.5° |
O4 | C7 | H72 | 110.7° | 109.5° |
O4 | C7 | H73 | 110.6° | 109.5° |
C7 | O4 | C4 | 113.7° | 106.8° |
H71 | C7 | H72 | 110.7° | 109.5° |
H71 | C7 | H73 | 110.6° | 109.4° |
H72 | C7 | H73 | 99.6° | 109.5° |
C2 | C1 | O1 | 109.1° | 109.4° |
C2 | C1 | O5 | 112.1° | 109.8° |
C2 | C1 | H1 | 109.2° | 109.4° |
C1 | C2 | C3 | 110.9° | 109.0° |
C1 | C2 | O2 | 108.8° | 109.6° |
C1 | C2 | H2 | 110.1° | 109.5° |
O1 | C1 | O5 | 108.0° | 109.3° |
O1 | C1 | H1 | 109.2° | 109.5° |
C1 | O1 | HO1 | 109.0° | 106.8° |
O5 | C1 | H1 | 109.2° | 109.4° |
C1 | O5 | C5 | 114.4° | 107.7° |
C3 | C2 | O2 | 106.7° | 109.6° |
C3 | C2 | H2 | 110.1° | 109.6° |
C2 | C3 | C4 | 114.5° | 108.7° |
C2 | C3 | O3 | 107.7° | 109.8° |
C2 | C3 | H3 | 108.1° | 109.6° |
O2 | C2 | H2 | 110.1° | 109.6° |
C2 | O2 | HO2 | 108.8° | 106.8° |
C4 | C3 | O3 | 110.3° | 109.6° |
C4 | C3 | H3 | 108.0° | 109.6° |
C3 | C4 | C5 | 109.3° | 109.1° |
C3 | C4 | O4 | 108.5° | 109.6° |
C3 | C4 | H4 | 110.0° | 109.6° |
O3 | C3 | H3 | 108.1° | 109.6° |
C3 | O3 | HO3 | 107.7° | 106.8° |
C5 | C4 | O4 | 109.0° | 109.5° |
C5 | C4 | H4 | 110.0° | 109.5° |
C4 | C5 | C6 | 111.7° | 109.5° |
C4 | C5 | O5 | 109.5° | 109.9° |
C4 | C5 | H5 | 109.2° | 109.3° |
O4 | C4 | H4 | 110.0° | 109.5° |
C6 | C5 | O5 | 108.0° | 109.4° |
C6 | C5 | H5 | 109.2° | 109.3° |
C5 | C6 | O6A | 118.3° | 119.9° |
C5 | C6 | O6B | 119.7° | 120.1° |
O5 | C5 | H5 | 109.2° | 109.4° |
O6A | C6 | O6B | 122.0° | 120.0° |
C6 | O6B | HO6B | 119.7° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C7 | H71 | H72 | 125.4° | 120.1° |
O4 | C7 | H71 | H73 | 125.2° | 120.0° |
O4 | C7 | H72 | H73 | 116.5° | 120.0° |
C7 | O4 | C4 | C3 | 120.7° | 96.9° |
C7 | O4 | C4 | C5 | 120.4° | 143.5° |
C7 | O4 | C4 | H4 | 0.3° | 23.4° |
H71 | C7 | H72 | H73 | 116.5° | 119.9° |
H71 | C7 | O4 | C4 | 180.0° | 179.5° |
H72 | C7 | O4 | C4 | 54.7° | 60.5° |
H73 | C7 | O4 | C4 | 54.7° | 59.6° |
C2 | C1 | O1 | O5 | 122.1° | 120.2° |
C2 | C1 | O1 | H1 | 119.2° | 119.9° |
C2 | C1 | O5 | H1 | 121.2° | 120.1° |
C1 | C2 | C3 | O2 | 118.3° | 119.9° |
C1 | C2 | C3 | H2 | 122.2° | 119.9° |
C1 | C2 | O2 | H2 | 120.8° | 120.2° |
C1 | C2 | C3 | C4 | 43.6° | 53.7° |
C1 | C2 | C3 | O3 | 166.6° | 173.6° |
C1 | C2 | C3 | H3 | 76.9° | 66.0° |
C2 | C1 | O5 | C5 | 57.9° | 67.5° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
O1 | C1 | O5 | H1 | 118.6° | 119.9° |
O1 | C1 | C2 | C3 | 74.2° | 58.8° |
O1 | C1 | C2 | O2 | 42.8° | 61.2° |
O1 | C1 | C2 | H2 | 163.6° | 178.6° |
O1 | C1 | O5 | C5 | 62.3° | 52.5° |
O5 | C1 | C2 | C3 | 45.4° | 61.2° |
O5 | C1 | C2 | O2 | 162.4° | 178.9° |
O5 | C1 | C2 | H2 | 76.8° | 58.6° |
C1 | O5 | C5 | C4 | 64.3° | 67.4° |
C1 | O5 | C5 | C6 | 173.9° | 172.3° |
C1 | O5 | C5 | H5 | 55.2° | 52.5° |
O5 | C1 | O1 | HO1 | 57.9° | 59.8° |
H1 | C1 | C2 | C3 | 166.6° | 178.7° |
H1 | C1 | C2 | O2 | 76.4° | 58.8° |
H1 | C1 | C2 | H2 | 44.4° | 61.5° |
H1 | C1 | O5 | C5 | 179.0° | 172.4° |
H1 | C1 | O1 | HO1 | 60.8° | 60.1° |
C3 | C2 | O2 | H2 | 119.5° | 120.2° |
C2 | C3 | C4 | O3 | 121.6° | 120.0° |
C2 | C3 | C4 | H3 | 120.5° | 119.8° |
C2 | C3 | O3 | H3 | 116.5° | 120.4° |
C2 | C3 | C4 | C5 | 50.0° | 53.6° |
C2 | C3 | C4 | O4 | 168.7° | 173.6° |
C2 | C3 | C4 | H4 | 70.9° | 66.2° |
C3 | C2 | O2 | HO2 | 60.3° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.7° |
O2 | C2 | C3 | C4 | 161.9° | 173.6° |
O2 | C2 | C3 | O3 | 75.0° | 66.5° |
O2 | C2 | C3 | H3 | 41.5° | 53.9° |
H2 | C2 | C3 | C4 | 78.6° | 66.1° |
H2 | C2 | C3 | O3 | 44.5° | 53.7° |
H2 | C2 | C3 | H3 | 161.0° | 174.1° |
H2 | C2 | O2 | HO2 | 59.2° | 59.8° |
C4 | C3 | O3 | H3 | 117.9° | 120.3° |
C3 | C4 | C5 | O4 | 118.4° | 120.0° |
C3 | C4 | C5 | H4 | 120.9° | 119.9° |
C3 | C4 | O4 | H4 | 120.4° | 120.2° |
C3 | C4 | C5 | C6 | 177.3° | 178.7° |
C3 | C4 | C5 | O5 | 57.8° | 61.1° |
C3 | C4 | C5 | H5 | 61.7° | 59.0° |
C4 | C3 | O3 | HO3 | 54.5° | 180.0° |
O3 | C3 | C4 | C5 | 171.6° | 173.6° |
O3 | C3 | C4 | O4 | 69.7° | 66.5° |
O3 | C3 | C4 | H4 | 50.7° | 53.7° |
H3 | C3 | C4 | C5 | 70.5° | 66.1° |
H3 | C3 | C4 | O4 | 48.3° | 53.8° |
H3 | C3 | C4 | H4 | 168.6° | 174.0° |
H3 | C3 | O3 | HO3 | 63.5° | 59.8° |
C5 | C4 | O4 | H4 | 120.7° | 120.1° |
C4 | C5 | C6 | O5 | 120.4° | 120.5° |
C4 | C5 | C6 | H5 | 120.9° | 119.7° |
C4 | C5 | O5 | H5 | 119.5° | 120.0° |
C4 | C5 | C6 | O6A | 81.5° | 116.8° |
C4 | C5 | C6 | O6B | 100.3° | 63.1° |
O4 | C4 | C5 | C6 | 64.2° | 58.7° |
O4 | C4 | C5 | O5 | 176.2° | 179.0° |
O4 | C4 | C5 | H5 | 56.7° | 61.0° |
H4 | C4 | C5 | C6 | 56.4° | 61.4° |
H4 | C4 | C5 | O5 | 63.1° | 58.8° |
H4 | C4 | C5 | H5 | 177.4° | 178.9° |
C6 | C5 | O5 | H5 | 118.7° | 119.8° |
C5 | C6 | O6A | O6B | 178.2° | 179.9° |
C5 | C6 | O6B | HO6B | 180.0° | 180.0° |
O5 | C5 | C6 | O6A | 158.1° | 3.7° |
O5 | C5 | C6 | O6B | 20.2° | 176.5° |
H5 | C5 | C6 | O6A | 39.5° | 123.5° |
H5 | C5 | C6 | O6B | 138.8° | 56.7° |
O6A | C6 | O6B | HO6B | 1.8° | 0.1° |