GU4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.44Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O5 | C5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | C4 | 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 | |
S6 | O22 | doub | 1.42Å | 1.50Å | |
S6 | O23 | doub | 1.42Å | 1.50Å | |
S6 | O21 | sing | 1.52Å | 1.50Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | S4 | sing | 1.52Å | 1.43Å | |
S4 | O25 | doub | 1.42Å | 1.50Å | |
S4 | O26 | doub | 1.42Å | 1.50Å | |
S4 | O24 | sing | 1.52Å | 1.50Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | S3 | sing | 1.52Å | 1.43Å | |
S3 | O28 | doub | 1.42Å | 1.50Å | |
S3 | O29 | sing | 1.52Å | 1.50Å | |
S3 | O27 | doub | 1.42Å | 1.50Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | S2 | sing | 1.52Å | 1.43Å | |
S2 | O11 | doub | 1.42Å | 1.50Å | |
S2 | O12 | doub | 1.42Å | 1.50Å | |
S2 | O10 | sing | 1.52Å | 1.50Å | |
O21 | HO21 | sing | 0.97Å | 0.95Å | |
O24 | HO24 | sing | 0.97Å | 0.95Å | |
O29 | HO29 | sing | 0.97Å | 0.95Å | |
O10 | HO10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | O1 | HO1 | 109.5° | 114.0° |
O1 | C1 | O5 | 111.3° | 109.5° |
O1 | C1 | C2 | 109.5° | 109.5° |
O1 | C1 | H1 | 109.4° | 109.5° |
O5 | C1 | C2 | 108.9° | 109.4° |
O5 | C1 | H1 | 109.4° | 109.4° |
C1 | O5 | C5 | 114.4° | 114.0° |
C2 | C1 | H1 | 108.2° | 109.5° |
C1 | C2 | C3 | 110.5° | 109.1° |
C1 | C2 | O2 | 110.6° | 109.5° |
C1 | C2 | H2 | 108.3° | 109.6° |
O5 | C5 | C6 | 106.1° | 109.5° |
O5 | C5 | C4 | 112.6° | 109.4° |
O5 | C5 | H5 | 110.5° | 109.6° |
C6 | C5 | C4 | 109.2° | 109.5° |
C6 | C5 | H5 | 109.2° | 109.4° |
C5 | C6 | O6 | 110.7° | 109.5° |
C5 | C6 | H61 | 109.2° | 109.4° |
C5 | C6 | H62 | 109.2° | 109.4° |
C4 | C5 | H5 | 109.2° | 109.5° |
C5 | C4 | O4 | 108.5° | 109.5° |
C5 | C4 | C3 | 110.5° | 109.1° |
C5 | C4 | H4 | 109.4° | 109.5° |
O6 | C6 | H61 | 109.2° | 109.5° |
O6 | C6 | H62 | 109.2° | 109.5° |
C6 | O6 | S6 | 121.9° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
O6 | S6 | O22 | 109.1° | 106.4° |
O6 | S6 | O23 | 110.2° | 106.4° |
O6 | S6 | O21 | 109.4° | 107.2° |
O22 | S6 | O23 | 109.2° | 123.2° |
O22 | S6 | O21 | 109.4° | 106.4° |
O23 | S6 | O21 | 109.5° | 106.4° |
S6 | O21 | HO21 | 109.5° | 114.0° |
O4 | C4 | C3 | 108.2° | 109.6° |
O4 | C4 | H4 | 110.8° | 109.6° |
C4 | O4 | S4 | 113.7° | 114.0° |
C3 | C4 | H4 | 109.5° | 109.6° |
C4 | C3 | O3 | 109.8° | 109.5° |
C4 | C3 | C2 | 110.3° | 109.1° |
C4 | C3 | H3 | 108.6° | 109.5° |
O4 | S4 | O25 | 110.0° | 106.4° |
O4 | S4 | O26 | 108.8° | 106.4° |
O4 | S4 | O24 | 110.4° | 107.2° |
O25 | S4 | O26 | 109.4° | 123.1° |
O25 | S4 | O24 | 109.2° | 106.4° |
O26 | S4 | O24 | 109.1° | 106.4° |
S4 | O24 | HO24 | 109.5° | 114.0° |
O3 | C3 | C2 | 109.6° | 109.5° |
O3 | C3 | H3 | 110.0° | 109.5° |
C3 | O3 | S3 | 113.8° | 114.0° |
C2 | C3 | H3 | 108.6° | 109.6° |
C3 | C2 | O2 | 109.4° | 109.5° |
C3 | C2 | H2 | 108.3° | 109.5° |
O3 | S3 | O28 | 108.9° | 106.4° |
O3 | S3 | O29 | 110.2° | 107.2° |
O3 | S3 | O27 | 110.5° | 106.4° |
O28 | S3 | O29 | 109.2° | 106.4° |
O28 | S3 | O27 | 108.9° | 123.1° |
O29 | S3 | O27 | 109.1° | 106.4° |
S3 | O29 | HO29 | 109.5° | 114.0° |
O2 | C2 | H2 | 109.7° | 109.6° |
C2 | O2 | S2 | 112.3° | 114.0° |
O2 | S2 | O11 | 110.3° | 106.4° |
O2 | S2 | O12 | 109.7° | 106.4° |
O2 | S2 | O10 | 109.2° | 107.2° |
O11 | S2 | O12 | 109.5° | 123.1° |
O11 | S2 | O10 | 109.3° | 106.4° |
O12 | S2 | O10 | 108.9° | 106.4° |
S2 | O10 | HO10 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O5 | C2 | 120.9° | 120.1° |
O1 | C1 | O5 | H1 | 121.1° | 120.0° |
O1 | C1 | C2 | H1 | 119.2° | 120.0° |
O1 | C1 | O5 | C5 | 61.3° | 58.8° |
O1 | C1 | C2 | C3 | 63.4° | 62.4° |
O1 | C1 | C2 | O2 | 57.9° | 57.5° |
O1 | C1 | C2 | H2 | 178.1° | 177.7° |
HO1 | O1 | C1 | O5 | 180.0° | 60.0° |
HO1 | O1 | C1 | C2 | 59.5° | 180.0° |
HO1 | O1 | C1 | H1 | 59.0° | 60.0° |
O5 | C1 | C2 | H1 | 118.8° | 119.9° |
C1 | O5 | C5 | C6 | 176.0° | 178.8° |
C1 | O5 | C5 | C4 | 56.6° | 61.2° |
C1 | O5 | C5 | H5 | 65.7° | 58.8° |
O5 | C1 | C2 | C3 | 58.6° | 57.7° |
O5 | C1 | C2 | O2 | 179.9° | 177.6° |
O5 | C1 | C2 | H2 | 60.0° | 62.2° |
C2 | C1 | O5 | C5 | 59.6° | 61.2° |
C1 | C2 | C3 | C4 | 55.8° | 57.0° |
C1 | C2 | C3 | O3 | 176.8° | 176.9° |
C1 | C2 | C3 | O2 | 122.0° | 119.9° |
C1 | C2 | C3 | H2 | 118.5° | 119.9° |
C1 | C2 | C3 | H3 | 63.1° | 62.9° |
C1 | C2 | O2 | H2 | 119.4° | 120.2° |
C1 | C2 | O2 | S2 | 94.7° | 95.0° |
H1 | C1 | O5 | C5 | 177.6° | 178.8° |
H1 | C1 | C2 | C3 | 177.4° | 177.6° |
H1 | C1 | C2 | O2 | 61.3° | 62.5° |
H1 | C1 | C2 | H2 | 58.9° | 57.7° |
O5 | C5 | C6 | C4 | 121.6° | 119.9° |
O5 | C5 | C6 | H5 | 119.1° | 120.1° |
O5 | C5 | C4 | H5 | 123.1° | 120.1° |
O5 | C5 | C6 | O6 | 56.7° | 64.6° |
O5 | C5 | C6 | H61 | 63.5° | 175.4° |
O5 | C5 | C6 | H62 | 176.9° | 55.4° |
O5 | C5 | C4 | O4 | 169.3° | 177.5° |
O5 | C5 | C4 | C3 | 50.8° | 57.7° |
O5 | C5 | C4 | H4 | 69.7° | 62.3° |
C6 | C5 | C4 | H5 | 119.3° | 120.0° |
C5 | C6 | O6 | H61 | 120.2° | 120.0° |
C5 | C6 | O6 | H62 | 120.2° | 120.0° |
C5 | C6 | H61 | H62 | 119.4° | 119.9° |
C5 | C6 | O6 | S6 | 176.0° | 180.0° |
C6 | C5 | C4 | O4 | 73.2° | 62.5° |
C6 | C5 | C4 | C3 | 168.4° | 177.6° |
C6 | C5 | C4 | H4 | 47.8° | 57.6° |
C4 | C5 | C6 | O6 | 64.9° | 175.5° |
C4 | C5 | C6 | H61 | 174.9° | 55.5° |
C4 | C5 | C6 | H62 | 55.3° | 64.5° |
C5 | C4 | O4 | C3 | 119.9° | 119.6° |
C5 | C4 | O4 | H4 | 120.1° | 120.1° |
C5 | C4 | C3 | H4 | 120.5° | 119.9° |
C5 | C4 | O4 | S4 | 120.0° | 134.3° |
C5 | C4 | C3 | O3 | 171.9° | 176.9° |
C5 | C4 | C3 | C2 | 51.0° | 57.0° |
C5 | C4 | C3 | H3 | 67.8° | 63.0° |
H5 | C5 | C6 | O6 | 175.8° | 55.4° |
H5 | C5 | C6 | H61 | 55.6° | 64.5° |
H5 | C5 | C6 | H62 | 64.0° | 175.5° |
H5 | C5 | C4 | O4 | 46.2° | 57.5° |
H5 | C5 | C4 | C3 | 72.3° | 62.4° |
H5 | C5 | C4 | H4 | 167.2° | 177.6° |
O6 | C6 | H61 | H62 | 119.5° | 120.1° |
C6 | O6 | S6 | O22 | 153.3° | 171.5° |
C6 | O6 | S6 | O23 | 33.4° | 38.5° |
C6 | O6 | S6 | O21 | 87.0° | 75.0° |
H61 | C6 | O6 | S6 | 55.8° | 60.0° |
H62 | C6 | O6 | S6 | 63.9° | 60.0° |
O6 | S6 | O22 | O23 | 120.5° | 123.0° |
O6 | S6 | O22 | O21 | 119.6° | 114.1° |
O6 | S6 | O23 | O21 | 120.3° | 114.1° |
O6 | S6 | O21 | HO21 | 119.5° | 180.0° |
O22 | S6 | O23 | O21 | 119.8° | 122.9° |
O22 | S6 | O21 | HO21 | 0.0° | 66.5° |
O23 | S6 | O21 | HO21 | 119.7° | 66.4° |
O4 | C4 | C3 | H4 | 120.9° | 120.3° |
C4 | O4 | S4 | O25 | 62.5° | 172.2° |
C4 | O4 | S4 | O26 | 177.7° | 39.3° |
C4 | O4 | S4 | O24 | 58.0° | 74.2° |
O4 | C4 | C3 | O3 | 69.5° | 63.3° |
O4 | C4 | C3 | C2 | 169.6° | 176.8° |
O4 | C4 | C3 | H3 | 50.8° | 56.9° |
C3 | C4 | O4 | S4 | 120.1° | 106.1° |
C4 | C3 | O3 | C2 | 121.2° | 119.6° |
C4 | C3 | O3 | H3 | 119.5° | 120.2° |
C4 | C3 | C2 | H3 | 118.9° | 119.9° |
C4 | C3 | O3 | S3 | 118.5° | 145.0° |
C4 | C3 | C2 | O2 | 177.7° | 176.9° |
C4 | C3 | C2 | H2 | 62.7° | 62.9° |
H4 | C4 | O4 | S4 | 0.1° | 14.2° |
H4 | C4 | C3 | O3 | 51.4° | 57.0° |
H4 | C4 | C3 | C2 | 69.5° | 62.9° |
H4 | C4 | C3 | H3 | 171.6° | 177.1° |
O4 | S4 | O25 | O26 | 119.4° | 123.0° |
O4 | S4 | O25 | O24 | 121.3° | 114.1° |
O4 | S4 | O26 | O24 | 120.5° | 114.1° |
O4 | S4 | O24 | HO24 | 119.5° | 180.0° |
O25 | S4 | O26 | O24 | 119.3° | 123.0° |
O25 | S4 | O24 | HO24 | 119.5° | 66.4° |
O26 | S4 | O24 | HO24 | 0.0° | 66.5° |
O3 | C3 | C2 | H3 | 120.1° | 120.2° |
C3 | O3 | S3 | O28 | 177.1° | 38.5° |
C3 | O3 | S3 | O29 | 63.2° | 75.0° |
C3 | O3 | S3 | O27 | 57.5° | 171.5° |
O3 | C3 | C2 | O2 | 61.3° | 63.2° |
O3 | C3 | C2 | H2 | 58.3° | 57.0° |
C2 | C3 | O3 | S3 | 120.3° | 95.4° |
C3 | C2 | O2 | H2 | 118.7° | 120.1° |
C3 | C2 | O2 | S2 | 143.4° | 145.3° |
H3 | C3 | O3 | S3 | 1.0° | 24.8° |
H3 | C3 | C2 | O2 | 58.8° | 57.0° |
H3 | C3 | C2 | H2 | 178.4° | 177.2° |
O3 | S3 | O28 | O29 | 120.4° | 114.1° |
O3 | S3 | O28 | O27 | 120.5° | 123.0° |
O3 | S3 | O29 | O27 | 121.5° | 113.6° |
O3 | S3 | O29 | HO29 | 121.5° | 180.0° |
O28 | S3 | O29 | O27 | 118.9° | 132.9° |
O28 | S3 | O29 | HO29 | 118.9° | 66.5° |
O27 | S3 | O29 | HO29 | 0.0° | 66.4° |
C2 | O2 | S2 | O11 | 50.7° | 171.5° |
C2 | O2 | S2 | O12 | 70.1° | 38.5° |
C2 | O2 | S2 | O10 | 170.7° | 75.0° |
H2 | C2 | O2 | S2 | 24.7° | 25.2° |
O2 | S2 | O11 | O12 | 120.8° | 123.0° |
O2 | S2 | O11 | O10 | 120.0° | 114.1° |
O2 | S2 | O12 | O10 | 119.4° | 114.1° |
O2 | S2 | O10 | HO10 | 119.7° | 180.0° |
O11 | S2 | O12 | O10 | 119.4° | 122.9° |
O11 | S2 | O10 | HO10 | 119.6° | 66.5° |
O12 | S2 | O10 | HO10 | 0.0° | 66.4° |