GU6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | C2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
S2 | O2 | sing | 1.52Å | 1.43Å | |
O14 | S2 | doub | 1.42Å | 1.50Å | |
O15 | S2 | doub | 1.42Å | 1.50Å | |
S2 | O13 | sing | 1.52Å | 1.50Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
S3 | O3 | sing | 1.52Å | 1.43Å | |
O17 | S3 | doub | 1.42Å | 1.50Å | |
S3 | O16 | doub | 1.42Å | 1.50Å | |
S3 | O18 | sing | 1.52Å | 1.50Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | C5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | S6 | sing | 1.52Å | 1.43Å | |
O21 | S6 | doub | 1.42Å | 1.50Å | |
S6 | O20 | doub | 1.42Å | 1.50Å | |
S6 | O19 | sing | 1.52Å | 1.50Å | |
O13 | HO13 | sing | 0.97Å | 0.95Å | |
O18 | HO18 | sing | 0.97Å | 0.95Å | |
O19 | HO19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 106.7° | 109.5° |
O1 | C1 | O5 | 111.1° | 109.4° |
O1 | C1 | H1 | 110.4° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C2 | C1 | O5 | 109.0° | 109.4° |
C2 | C1 | H1 | 109.1° | 109.5° |
C1 | C2 | O2 | 110.7° | 109.5° |
C1 | C2 | C3 | 108.5° | 109.2° |
C1 | C2 | H2 | 108.8° | 109.5° |
O5 | C1 | H1 | 110.4° | 109.5° |
C1 | O5 | C5 | 113.5° | 114.1° |
O2 | C2 | C3 | 110.0° | 109.5° |
O2 | C2 | H2 | 110.1° | 109.6° |
C2 | O2 | S2 | 114.0° | 114.0° |
C3 | C2 | H2 | 108.8° | 109.6° |
C2 | C3 | O3 | 110.3° | 109.5° |
C2 | C3 | C4 | 110.4° | 109.1° |
C2 | C3 | H3 | 108.4° | 109.6° |
O2 | S2 | O14 | 109.0° | 106.4° |
O2 | S2 | O15 | 109.9° | 106.4° |
O2 | S2 | O13 | 110.6° | 107.2° |
O14 | S2 | O15 | 109.0° | 123.2° |
O14 | S2 | O13 | 109.5° | 106.4° |
O15 | S2 | O13 | 108.8° | 106.4° |
S2 | O13 | HO13 | 109.5° | 114.0° |
O3 | C3 | C4 | 109.7° | 109.6° |
O3 | C3 | H3 | 109.7° | 109.5° |
C3 | O3 | S3 | 112.6° | 114.0° |
C4 | C3 | H3 | 108.4° | 109.6° |
C3 | C4 | C5 | 109.1° | 109.2° |
C3 | C4 | O4 | 109.3° | 109.5° |
C3 | C4 | H4 | 109.1° | 109.5° |
O3 | S3 | O17 | 110.4° | 106.4° |
O3 | S3 | O16 | 110.4° | 106.4° |
O3 | S3 | O18 | 108.4° | 107.2° |
O17 | S3 | O16 | 108.9° | 123.2° |
O17 | S3 | O18 | 109.2° | 106.4° |
O16 | S3 | O18 | 109.5° | 106.4° |
S3 | O18 | HO18 | 109.5° | 114.0° |
C5 | C4 | O4 | 109.6° | 109.5° |
C5 | C4 | H4 | 109.3° | 109.6° |
C4 | C5 | O5 | 111.5° | 109.4° |
C4 | C5 | C6 | 109.8° | 109.5° |
C4 | C5 | H5 | 108.4° | 109.5° |
O4 | C4 | H4 | 110.5° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O5 | C5 | C6 | 109.4° | 109.5° |
O5 | C5 | H5 | 109.5° | 109.5° |
C6 | C5 | H5 | 108.3° | 109.5° |
C5 | C6 | O6 | 111.7° | 109.4° |
C5 | C6 | H61 | 108.9° | 109.4° |
C5 | C6 | H62 | 108.9° | 109.5° |
O6 | C6 | H61 | 108.9° | 109.5° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | S6 | 121.5° | 113.9° |
H61 | C6 | H62 | 109.5° | 109.5° |
O6 | S6 | O21 | 109.9° | 106.4° |
O6 | S6 | O20 | 109.9° | 106.4° |
O6 | S6 | O19 | 109.1° | 107.2° |
O21 | S6 | O20 | 109.3° | 123.1° |
O21 | S6 | O19 | 109.4° | 106.4° |
O20 | S6 | O19 | 109.3° | 106.4° |
S6 | O19 | HO19 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 120.1° | 119.9° |
O1 | C1 | C2 | H1 | 119.3° | 120.1° |
O1 | C1 | O5 | H1 | 122.9° | 120.1° |
O1 | C1 | C2 | O2 | 60.1° | 57.6° |
O1 | C1 | C2 | C3 | 60.7° | 62.3° |
O1 | C1 | C2 | H2 | 178.8° | 177.7° |
O1 | C1 | O5 | C5 | 55.9° | 58.8° |
C2 | C1 | O5 | H1 | 119.8° | 120.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | C3 | 119.9° | 119.7° |
C1 | C2 | O2 | H2 | 120.3° | 120.1° |
C1 | C2 | C3 | H2 | 118.2° | 119.9° |
C1 | C2 | O2 | S2 | 68.4° | 95.0° |
C1 | C2 | C3 | O3 | 179.1° | 176.9° |
C1 | C2 | C3 | C4 | 57.8° | 57.0° |
C1 | C2 | C3 | H3 | 60.7° | 63.0° |
C2 | C1 | O5 | C5 | 61.4° | 61.1° |
O5 | C1 | O1 | HO1 | 61.3° | 60.1° |
O5 | C1 | C2 | O2 | 179.8° | 177.5° |
O5 | C1 | C2 | C3 | 59.5° | 57.6° |
O5 | C1 | C2 | H2 | 58.7° | 62.4° |
C1 | O5 | C5 | C4 | 59.3° | 61.1° |
C1 | O5 | C5 | C6 | 179.1° | 178.9° |
C1 | O5 | C5 | H5 | 60.6° | 58.8° |
H1 | C1 | O1 | HO1 | 61.5° | 59.9° |
H1 | C1 | C2 | O2 | 59.2° | 62.5° |
H1 | C1 | C2 | C3 | 180.0° | 177.6° |
H1 | C1 | C2 | H2 | 61.9° | 57.6° |
H1 | C1 | O5 | C5 | 178.7° | 178.9° |
O2 | C2 | C3 | H2 | 120.6° | 120.2° |
C2 | O2 | S2 | O14 | 89.0° | 171.5° |
C2 | O2 | S2 | O15 | 151.6° | 38.5° |
C2 | O2 | S2 | O13 | 31.5° | 75.0° |
O2 | C2 | C3 | O3 | 59.7° | 63.3° |
O2 | C2 | C3 | C4 | 179.0° | 176.9° |
O2 | C2 | C3 | H3 | 60.4° | 56.9° |
C3 | C2 | O2 | S2 | 171.7° | 145.3° |
C2 | C3 | O3 | C4 | 121.7° | 119.6° |
C2 | C3 | O3 | H3 | 119.3° | 120.2° |
C2 | C3 | C4 | H3 | 118.5° | 119.9° |
C2 | C3 | O3 | S3 | 115.3° | 145.0° |
C2 | C3 | C4 | C5 | 54.8° | 57.0° |
C2 | C3 | C4 | O4 | 174.5° | 176.9° |
C2 | C3 | C4 | H4 | 64.5° | 62.9° |
H2 | C2 | O2 | S2 | 51.9° | 25.1° |
H2 | C2 | C3 | O3 | 60.9° | 57.0° |
H2 | C2 | C3 | C4 | 60.4° | 62.9° |
H2 | C2 | C3 | H3 | 178.9° | 177.1° |
O2 | S2 | O14 | O15 | 120.0° | 123.0° |
O2 | S2 | O14 | O13 | 121.2° | 114.1° |
O2 | S2 | O15 | O13 | 121.3° | 114.1° |
O2 | S2 | O13 | HO13 | 120.8° | 180.0° |
O14 | S2 | O15 | O13 | 119.3° | 122.9° |
O14 | S2 | O13 | HO13 | 119.0° | 66.5° |
O15 | S2 | O13 | HO13 | 0.0° | 66.4° |
O3 | C3 | C4 | H3 | 119.8° | 120.2° |
C3 | O3 | S3 | O17 | 58.9° | 38.5° |
C3 | O3 | S3 | O16 | 61.6° | 171.4° |
C3 | O3 | S3 | O18 | 178.5° | 75.0° |
O3 | C3 | C4 | C5 | 176.5° | 176.8° |
O3 | C3 | C4 | O4 | 63.8° | 63.2° |
O3 | C3 | C4 | H4 | 57.1° | 56.9° |
C4 | C3 | O3 | S3 | 123.0° | 95.4° |
C3 | C4 | C5 | O4 | 119.5° | 119.9° |
C3 | C4 | C5 | H4 | 119.2° | 119.9° |
C3 | C4 | O4 | H4 | 120.1° | 120.1° |
C3 | C4 | O4 | HO4 | 4.6° | 180.0° |
C3 | C4 | C5 | O5 | 54.2° | 57.6° |
C3 | C4 | C5 | C6 | 175.6° | 177.5° |
C3 | C4 | C5 | H5 | 66.3° | 62.4° |
H3 | C3 | O3 | S3 | 4.0° | 24.8° |
H3 | C3 | C4 | C5 | 63.7° | 63.0° |
H3 | C3 | C4 | O4 | 56.0° | 57.0° |
H3 | C3 | C4 | H4 | 176.9° | 177.1° |
O3 | S3 | O17 | O16 | 121.4° | 122.9° |
O3 | S3 | O17 | O18 | 119.0° | 114.1° |
O3 | S3 | O16 | O18 | 119.3° | 114.1° |
O3 | S3 | O18 | HO18 | 120.3° | 180.0° |
O17 | S3 | O16 | O18 | 119.3° | 123.0° |
O17 | S3 | O18 | HO18 | 0.0° | 66.5° |
O16 | S3 | O18 | HO18 | 119.2° | 66.4° |
C5 | C4 | O4 | H4 | 120.5° | 120.2° |
C5 | C4 | O4 | HO4 | 124.0° | 60.3° |
C4 | C5 | O5 | C6 | 121.6° | 120.0° |
C4 | C5 | O5 | H5 | 119.9° | 120.0° |
C4 | C5 | C6 | H5 | 118.1° | 120.1° |
C4 | C5 | C6 | O6 | 61.6° | 175.0° |
C4 | C5 | C6 | H61 | 178.1° | 55.1° |
C4 | C5 | C6 | H62 | 58.7° | 65.0° |
O4 | C4 | C5 | O5 | 173.8° | 177.5° |
O4 | C4 | C5 | C6 | 64.9° | 62.5° |
O4 | C4 | C5 | H5 | 53.2° | 57.5° |
H4 | C4 | O4 | HO4 | 115.5° | 59.9° |
H4 | C4 | C5 | O5 | 65.0° | 62.3° |
H4 | C4 | C5 | C6 | 56.4° | 57.7° |
H4 | C4 | C5 | H5 | 174.4° | 177.8° |
O5 | C5 | C6 | H5 | 119.3° | 120.0° |
O5 | C5 | C6 | O6 | 61.0° | 65.1° |
O5 | C5 | C6 | H61 | 59.3° | 175.0° |
O5 | C5 | C6 | H62 | 178.7° | 54.9° |
C5 | C6 | O6 | H61 | 120.3° | 119.9° |
C5 | C6 | O6 | H62 | 120.3° | 120.0° |
C5 | C6 | H61 | H62 | 119.0° | 120.0° |
C5 | C6 | O6 | S6 | 173.3° | 180.0° |
H5 | C5 | C6 | O6 | 179.7° | 54.9° |
H5 | C5 | C6 | H61 | 60.0° | 65.0° |
H5 | C5 | C6 | H62 | 59.4° | 174.9° |
O6 | C6 | H61 | H62 | 119.0° | 120.1° |
C6 | O6 | S6 | O21 | 67.3° | 38.6° |
C6 | O6 | S6 | O20 | 53.0° | 171.5° |
C6 | O6 | S6 | O19 | 172.8° | 75.0° |
H61 | C6 | O6 | S6 | 66.4° | 60.1° |
H62 | C6 | O6 | S6 | 52.9° | 60.0° |
O6 | S6 | O21 | O20 | 120.7° | 122.9° |
O6 | S6 | O21 | O19 | 119.7° | 114.1° |
O6 | S6 | O20 | O19 | 119.6° | 114.1° |
O6 | S6 | O19 | HO19 | 120.2° | 180.0° |
O21 | S6 | O20 | O19 | 119.6° | 123.0° |
O21 | S6 | O19 | HO19 | 119.6° | 66.4° |
O20 | S6 | O19 | HO19 | 0.0° | 66.5° |