GCT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C1 | HC12 | sing | 1.09Å | 1.11Å | |
C2 | O2 | sing | 1.43Å | 1.40Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C4 | HC42 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.51Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6A | doub | 1.21Å | 1.27Å | |
C6 | O6B | sing | 1.34Å | 1.25Å | |
O6B | HO6B | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 117.6° | 109.8° |
C2 | C1 | H1 | 109.3° | 109.5° |
C2 | C1 | HC12 | 109.3° | 109.4° |
C1 | C2 | O2 | 103.6° | 109.6° |
C1 | C2 | C3 | 107.8° | 109.1° |
C1 | C2 | H2 | 113.9° | 109.6° |
O5 | C1 | H1 | 109.3° | 109.4° |
O5 | C1 | HC12 | 109.2° | 109.4° |
C1 | O5 | C5 | 121.1° | 107.6° |
H1 | C1 | HC12 | 100.9° | 109.3° |
O2 | C2 | C3 | 108.3° | 109.5° |
O2 | C2 | H2 | 113.4° | 109.5° |
C2 | O2 | HO2 | 103.5° | 106.8° |
C3 | C2 | H2 | 109.5° | 109.6° |
C2 | C3 | O3 | 113.7° | 109.9° |
C2 | C3 | C4 | 105.1° | 108.6° |
C2 | C3 | H3 | 109.7° | 109.5° |
O3 | C3 | C4 | 109.5° | 109.6° |
O3 | C3 | H3 | 105.3° | 109.6° |
C3 | O3 | HO3 | 113.7° | 106.8° |
C4 | C3 | H3 | 113.8° | 109.6° |
C3 | C4 | C5 | 117.4° | 109.1° |
C3 | C4 | H4 | 109.4° | 109.4° |
C3 | C4 | HC42 | 109.3° | 109.6° |
C5 | C4 | H4 | 109.3° | 109.6° |
C5 | C4 | HC42 | 109.4° | 109.6° |
C4 | C5 | C6 | 115.0° | 109.4° |
C4 | C5 | O5 | 112.8° | 109.8° |
C4 | C5 | H5 | 104.5° | 109.4° |
H4 | C4 | HC42 | 100.8° | 109.6° |
C6 | C5 | O5 | 113.6° | 109.4° |
C6 | C5 | H5 | 103.5° | 109.4° |
C5 | C6 | O6A | 120.1° | 120.0° |
C5 | C6 | O6B | 116.3° | 120.0° |
O5 | C5 | H5 | 106.1° | 109.4° |
O6A | C6 | O6B | 123.6° | 120.0° |
C6 | O6B | HO6B | 116.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | H1 | 125.3° | 120.2° |
C2 | C1 | O5 | HC12 | 125.2° | 120.1° |
C2 | C1 | H1 | HC12 | 115.0° | 119.8° |
C1 | C2 | O2 | C3 | 114.3° | 119.6° |
C1 | C2 | O2 | H2 | 123.9° | 120.2° |
C1 | C2 | C3 | H2 | 124.4° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.2° |
C1 | C2 | C3 | O3 | 175.5° | 173.5° |
C1 | C2 | C3 | C4 | 64.7° | 53.6° |
C1 | C2 | C3 | H3 | 58.0° | 66.1° |
C2 | C1 | O5 | C5 | 13.9° | 67.5° |
O5 | C1 | H1 | HC12 | 115.0° | 119.8° |
O5 | C1 | C2 | O2 | 152.3° | 178.9° |
O5 | C1 | C2 | C3 | 37.6° | 61.2° |
O5 | C1 | C2 | H2 | 84.1° | 58.7° |
C1 | O5 | C5 | C4 | 32.3° | 67.5° |
C1 | O5 | C5 | C6 | 100.9° | 172.4° |
C1 | O5 | C5 | H5 | 146.1° | 52.5° |
H1 | C1 | C2 | O2 | 82.5° | 58.7° |
H1 | C1 | C2 | C3 | 162.9° | 178.7° |
H1 | C1 | C2 | H2 | 41.2° | 61.4° |
H1 | C1 | O5 | C5 | 111.3° | 172.3° |
HC12 | C1 | C2 | O2 | 27.1° | 61.0° |
HC12 | C1 | C2 | C3 | 87.6° | 58.9° |
HC12 | C1 | C2 | H2 | 150.7° | 178.8° |
HC12 | C1 | O5 | C5 | 139.2° | 52.6° |
O2 | C2 | C3 | H2 | 124.2° | 120.1° |
O2 | C2 | C3 | O3 | 64.1° | 66.6° |
O2 | C2 | C3 | C4 | 176.2° | 173.5° |
O2 | C2 | C3 | H3 | 53.5° | 53.8° |
C3 | C2 | O2 | HO2 | 65.7° | 179.8° |
C2 | C3 | O3 | C4 | 117.2° | 119.3° |
C2 | C3 | O3 | H3 | 120.1° | 120.4° |
C2 | C3 | C4 | H3 | 120.0° | 119.6° |
C2 | C3 | O3 | HO3 | 180.0° | 60.7° |
C2 | C3 | C4 | C5 | 48.7° | 53.6° |
C2 | C3 | C4 | H4 | 174.0° | 66.3° |
C2 | C3 | C4 | HC42 | 76.5° | 173.5° |
H2 | C2 | O2 | HO2 | 56.1° | 60.0° |
H2 | C2 | C3 | O3 | 60.1° | 53.6° |
H2 | C2 | C3 | C4 | 59.6° | 66.4° |
H2 | C2 | C3 | H3 | 177.6° | 174.0° |
O3 | C3 | C4 | H3 | 117.5° | 120.3° |
O3 | C3 | C4 | C5 | 171.3° | 173.7° |
O3 | C3 | C4 | H4 | 63.5° | 53.8° |
O3 | C3 | C4 | HC42 | 46.0° | 66.4° |
C4 | C3 | O3 | HO3 | 62.8° | 180.0° |
C3 | C4 | C5 | H4 | 125.3° | 119.8° |
C3 | C4 | C5 | HC42 | 125.3° | 120.0° |
C3 | C4 | H4 | HC42 | 115.1° | 120.1° |
C3 | C4 | C5 | C6 | 133.5° | 178.7° |
C3 | C4 | C5 | O5 | 1.0° | 61.1° |
C3 | C4 | C5 | H5 | 113.8° | 58.9° |
H3 | C3 | O3 | HO3 | 60.0° | 59.7° |
H3 | C3 | C4 | C5 | 71.3° | 66.0° |
H3 | C3 | C4 | H4 | 54.0° | 174.1° |
H3 | C3 | C4 | HC42 | 163.5° | 53.9° |
C5 | C4 | H4 | HC42 | 115.1° | 120.2° |
C4 | C5 | C6 | O5 | 132.1° | 120.4° |
C4 | C5 | C6 | H5 | 113.3° | 119.8° |
C4 | C5 | O5 | H5 | 113.8° | 120.0° |
C4 | C5 | C6 | O6A | 153.5° | 120.3° |
C4 | C5 | C6 | O6B | 28.0° | 59.7° |
H4 | C4 | C5 | C6 | 101.2° | 61.5° |
H4 | C4 | C5 | O5 | 126.3° | 58.6° |
H4 | C4 | C5 | H5 | 11.5° | 178.6° |
HC42 | C4 | C5 | C6 | 8.2° | 58.8° |
HC42 | C4 | C5 | O5 | 124.3° | 178.9° |
HC42 | C4 | C5 | H5 | 120.9° | 61.1° |
C6 | C5 | O5 | H5 | 113.1° | 119.8° |
C5 | C6 | O6A | O6B | 178.4° | 180.0° |
C5 | C6 | O6B | HO6B | 180.0° | 180.0° |
O5 | C5 | C6 | O6A | 21.4° | 0.0° |
O5 | C5 | C6 | O6B | 160.1° | 180.0° |
H5 | C5 | C6 | O6A | 93.3° | 119.8° |
H5 | C5 | C6 | O6B | 85.3° | 60.2° |
O6A | C6 | O6B | HO6B | 1.5° | 0.0° |