GZL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C5 | sing | 1.53Å | 1.35Å | |
C6 | O6 | sing | 1.43Å | 1.34Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.34Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | C3 | sing | 1.54Å | 1.50Å | |
C4 | O4 | sing | 1.44Å | 1.43Å | |
C3 | C2 | sing | 1.55Å | 1.33Å | |
C3 | O3 | sing | 1.43Å | 1.33Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C2 | C1 | sing | 1.55Å | 1.49Å | |
C2 | O2 | sing | 1.43Å | 1.33Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O4 | C1 | sing | 1.44Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C6 | O6 | 121.5° | 109.5° |
C6 | C5 | C4 | 123.9° | 109.5° |
C6 | C5 | O5 | 119.1° | 109.4° |
C6 | C5 | H5 | 61.1° | 109.5° |
C5 | C6 | H61 | 105.6° | 109.5° |
C5 | C6 | H62 | 102.9° | 109.5° |
O6 | C6 | H61 | 105.7° | 109.4° |
O6 | C6 | H62 | 102.8° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C4 | C5 | O5 | 116.8° | 109.5° |
C4 | C5 | H5 | 84.7° | 109.5° |
C5 | C4 | C3 | 121.4° | 109.9° |
C5 | C4 | O4 | 110.2° | 109.9° |
C5 | C4 | H4 | 98.5° | 109.9° |
O5 | C5 | H5 | 132.0° | 109.5° |
C5 | O5 | HO5 | 109.5° | 114.0° |
C3 | C4 | O4 | 103.0° | 107.3° |
C4 | C3 | C2 | 110.1° | 104.2° |
C4 | C3 | O3 | 123.0° | 110.5° |
C4 | C3 | H3 | 132.7° | 110.5° |
C3 | C4 | H4 | 106.2° | 109.8° |
C4 | O4 | C1 | 111.1° | 107.0° |
O4 | C4 | H4 | 118.4° | 110.0° |
C2 | C3 | O3 | 126.7° | 110.5° |
C2 | C3 | H3 | 111.0° | 110.5° |
C3 | C2 | C1 | 110.3° | 102.1° |
C3 | C2 | O2 | 128.6° | 110.9° |
C3 | C2 | H2 | 100.6° | 110.9° |
O3 | C3 | H3 | 29.2° | 110.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C1 | C2 | O2 | 121.1° | 110.9° |
C1 | C2 | H2 | 148.2° | 110.9° |
C2 | C1 | O4 | 104.1° | 103.5° |
C2 | C1 | H1 | 111.7° | 110.6° |
C2 | C1 | O1 | 111.8° | 110.6° |
O2 | C2 | H2 | 29.2° | 110.9° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O4 | C1 | H1 | 113.4° | 110.7° |
O4 | C1 | O1 | 110.1° | 110.6° |
H61 | C6 | H62 | 119.5° | 109.5° |
H1 | C1 | O1 | 105.9° | 110.6° |
C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 114.0° | 120.0° |
C6 | C5 | C4 | O5 | 175.4° | 119.9° |
C6 | C5 | C4 | H5 | 49.7° | 120.0° |
C6 | C5 | O5 | H5 | 76.0° | 120.0° |
C6 | C5 | C4 | C3 | 15.6° | 175.0° |
C6 | C5 | C4 | O4 | 136.0° | 57.1° |
C5 | C6 | H61 | H62 | 115.0° | 120.0° |
C5 | C6 | O6 | HO6 | 10.4° | 180.0° |
C6 | C5 | C4 | H4 | 99.5° | 64.0° |
C6 | C5 | O5 | HO5 | 151.9° | 60.0° |
O6 | C6 | C5 | C4 | 178.9° | 175.0° |
O6 | C6 | C5 | O5 | 3.6° | 65.0° |
O6 | C6 | C5 | H5 | 120.9° | 55.0° |
O6 | C6 | H61 | H62 | 115.1° | 120.0° |
C4 | C5 | O5 | H5 | 108.3° | 120.1° |
C5 | C4 | C3 | O4 | 123.8° | 119.5° |
C5 | C4 | C3 | H4 | 111.0° | 121.0° |
C5 | C4 | O4 | H4 | 112.2° | 121.1° |
C5 | C4 | C3 | C2 | 134.1° | 121.5° |
C5 | C4 | C3 | O3 | 50.1° | 119.9° |
C5 | C4 | C3 | H3 | 14.9° | 2.8° |
C5 | C4 | O4 | C1 | 142.4° | 145.9° |
C4 | C5 | C6 | H61 | 61.1° | 55.1° |
C4 | C5 | C6 | H62 | 64.9° | 65.0° |
C4 | C5 | O5 | HO5 | 32.5° | 59.9° |
O5 | C5 | C4 | C3 | 169.0° | 55.0° |
O5 | C5 | C4 | O4 | 48.6° | 62.8° |
O5 | C5 | C6 | H61 | 123.6° | 175.0° |
O5 | C5 | C6 | H62 | 110.4° | 55.0° |
O5 | C5 | C4 | H4 | 76.0° | 176.0° |
H5 | C5 | C4 | C3 | 34.2° | 65.0° |
H5 | C5 | C4 | O4 | 86.3° | 177.2° |
H5 | C5 | C6 | H61 | 0.9° | 65.0° |
H5 | C5 | C6 | H62 | 125.1° | 175.0° |
H5 | C5 | C4 | H4 | 149.2° | 56.0° |
H5 | C5 | O5 | HO5 | 75.9° | 180.0° |
C3 | C4 | O4 | H4 | 116.8° | 119.4° |
C4 | C3 | C2 | O3 | 175.6° | 118.7° |
C4 | C3 | C2 | H3 | 156.1° | 118.7° |
C4 | C3 | O3 | H3 | 119.7° | 122.6° |
C4 | C3 | C2 | C1 | 5.4° | 20.9° |
C4 | C3 | C2 | O2 | 176.2° | 97.3° |
C4 | C3 | C2 | H2 | 167.0° | 139.1° |
C3 | C4 | O4 | C1 | 11.5° | 26.5° |
C4 | C3 | O3 | HO3 | 8.7° | 180.0° |
O4 | C4 | C3 | C2 | 10.3° | 2.0° |
O4 | C4 | C3 | O3 | 173.9° | 120.7° |
O4 | C4 | C3 | H3 | 138.8° | 116.7° |
C4 | O4 | C1 | C2 | 8.7° | 40.0° |
C4 | O4 | C1 | H1 | 130.2° | 158.5° |
C4 | O4 | C1 | O1 | 111.3° | 78.5° |
C2 | C3 | O3 | H3 | 65.2° | 122.6° |
C3 | C2 | C1 | O2 | 178.6° | 118.2° |
C3 | C2 | C1 | H2 | 165.7° | 118.2° |
C3 | C2 | O2 | H2 | 18.6° | 123.7° |
C3 | C2 | C1 | O4 | 1.8° | 37.0° |
C2 | C3 | C4 | H4 | 114.9° | 117.5° |
C2 | C3 | O3 | HO3 | 176.2° | 65.3° |
C3 | C2 | C1 | H1 | 124.5° | 155.6° |
C3 | C2 | O2 | HO2 | 9.4° | 180.0° |
C3 | C2 | C1 | O1 | 117.0° | 81.5° |
O3 | C3 | C2 | C1 | 179.0° | 97.8° |
O3 | C3 | C2 | O2 | 0.6° | 144.0° |
O3 | C3 | C2 | H2 | 8.5° | 20.4° |
O3 | C3 | C4 | H4 | 60.9° | 1.1° |
H3 | C3 | C2 | C1 | 150.8° | 139.6° |
H3 | C3 | C2 | O2 | 27.7° | 21.4° |
H3 | C3 | C2 | H2 | 36.8° | 102.3° |
H3 | C3 | C4 | H4 | 96.1° | 123.8° |
H3 | C3 | O3 | HO3 | 111.0° | 57.3° |
C1 | C2 | O2 | H2 | 163.0° | 123.7° |
C2 | C1 | O4 | H1 | 121.6° | 118.5° |
C2 | C1 | O4 | O1 | 120.0° | 118.5° |
C2 | C1 | H1 | O1 | 122.0° | 122.9° |
C1 | C2 | O2 | HO2 | 168.9° | 67.3° |
C2 | C1 | O1 | HO1 | 46.0° | 180.0° |
O2 | C2 | C1 | O4 | 176.8° | 81.2° |
O2 | C2 | C1 | H1 | 54.1° | 37.4° |
O2 | C2 | C1 | O1 | 64.4° | 160.3° |
H2 | C2 | C1 | O4 | 167.5° | 155.2° |
H2 | C2 | C1 | H1 | 69.7° | 86.3° |
H2 | C2 | O2 | HO2 | 28.0° | 56.3° |
H2 | C2 | C1 | O1 | 48.7° | 36.7° |
C1 | O4 | C4 | H4 | 105.4° | 93.0° |
O4 | C1 | H1 | O1 | 120.8° | 123.0° |
O4 | C1 | O1 | HO1 | 69.2° | 65.9° |
H61 | C6 | O6 | HO6 | 109.6° | 60.0° |
H62 | C6 | O6 | HO6 | 124.4° | 60.0° |
H1 | C1 | O1 | HO1 | 167.9° | 57.1° |