DEG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3' | C4' | sing | 1.53Å | 1.51Å | |
C3' | C2' | sing | 1.53Å | 1.52Å | |
C3' | H3'1 | sing | 1.09Å | 1.11Å | |
C3' | H3'2 | sing | 1.09Å | 1.11Å | |
C4' | H4'1 | sing | 1.09Å | 1.12Å | |
C4' | H4'2 | sing | 1.09Å | 1.11Å | |
C4' | H4'3 | sing | 1.09Å | 1.11Å | |
C1' | C2' | sing | 1.53Å | 1.52Å | |
C1' | O1 | sing | 1.43Å | 1.46Å | |
C1' | H1'1 | sing | 1.09Å | 1.12Å | |
C1' | H1'2 | sing | 1.09Å | 1.11Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.59Å | |
C2 | C1 | sing | 1.53Å | 1.59Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | C5 | sing | 1.53Å | 1.57Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.50Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
O5 | C1 | sing | 1.42Å | 1.51Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O1 | C1 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4' | C3' | C2' | 127.0° | 109.5° |
C4' | C3' | H3'1 | 106.1° | 109.5° |
C4' | C3' | H3'2 | 106.1° | 109.5° |
C3' | C4' | H4'1 | 127.0° | 109.5° |
C3' | C4' | H4'2 | 106.1° | 109.5° |
C3' | C4' | H4'3 | 106.1° | 109.5° |
C2' | C3' | H3'1 | 106.1° | 109.4° |
C2' | C3' | H3'2 | 106.0° | 109.5° |
C3' | C2' | C1' | 121.8° | 109.5° |
C3' | C2' | H2'1 | 107.9° | 109.4° |
C3' | C2' | H2'2 | 107.8° | 109.4° |
H3'1 | C3' | H3'2 | 103.4° | 109.4° |
H4'1 | C4' | H4'2 | 106.1° | 109.5° |
H4'1 | C4' | H4'3 | 106.1° | 109.5° |
H4'2 | C4' | H4'3 | 103.4° | 109.4° |
C2' | C1' | O1 | 109.0° | 109.5° |
C2' | C1' | H1'1 | 112.4° | 109.5° |
C2' | C1' | H1'2 | 112.4° | 109.4° |
C1' | C2' | H2'1 | 107.8° | 109.5° |
C1' | C2' | H2'2 | 107.8° | 109.5° |
O1 | C1' | H1'1 | 112.4° | 109.4° |
O1 | C1' | H1'2 | 112.4° | 109.5° |
C1' | O1 | C1 | 116.5° | 106.8° |
H1'1 | C1' | H1'2 | 98.0° | 109.5° |
H2'1 | C2' | H2'2 | 102.0° | 109.5° |
O2 | C2 | C3 | 108.1° | 109.5° |
O2 | C2 | C1 | 109.2° | 109.6° |
O2 | C2 | H2 | 110.3° | 109.5° |
C2 | O2 | HO2 | 109.2° | 106.8° |
C3 | C2 | C1 | 108.6° | 109.1° |
C3 | C2 | H2 | 110.3° | 109.6° |
C2 | C3 | O3 | 109.2° | 109.7° |
C2 | C3 | C4 | 109.9° | 108.6° |
C2 | C3 | H3 | 109.6° | 109.6° |
C1 | C2 | H2 | 110.3° | 109.5° |
C2 | C1 | O5 | 108.6° | 109.7° |
C2 | C1 | O1 | 109.0° | 109.4° |
C2 | C1 | H1 | 109.8° | 109.3° |
O3 | C3 | C4 | 109.0° | 109.6° |
O3 | C3 | H3 | 109.6° | 109.6° |
C3 | O3 | HO3 | 109.2° | 106.8° |
C4 | C3 | H3 | 109.6° | 109.6° |
C3 | C4 | O4 | 110.3° | 109.6° |
C3 | C4 | C5 | 109.1° | 109.0° |
C3 | C4 | H4 | 109.5° | 109.6° |
O4 | C4 | C5 | 108.9° | 109.5° |
O4 | C4 | H4 | 109.5° | 109.5° |
C4 | O4 | HO4 | 110.3° | 106.8° |
C5 | C4 | H4 | 109.5° | 109.6° |
C4 | C5 | O5 | 109.4° | 109.7° |
C4 | C5 | C6 | 111.5° | 109.4° |
C4 | C5 | H5 | 109.0° | 109.5° |
O5 | C5 | C6 | 109.0° | 109.4° |
O5 | C5 | H5 | 109.0° | 109.4° |
C5 | O5 | C1 | 114.9° | 107.6° |
C6 | C5 | H5 | 109.0° | 109.4° |
C5 | C6 | O6 | 111.6° | 109.5° |
C5 | C6 | H61 | 111.4° | 109.5° |
C5 | C6 | H62 | 111.4° | 109.4° |
O5 | C1 | O1 | 109.8° | 109.5° |
O5 | C1 | H1 | 109.8° | 109.4° |
O6 | C6 | H61 | 111.4° | 109.5° |
O6 | C6 | H62 | 111.4° | 109.4° |
C6 | O6 | HO6 | 111.6° | 106.8° |
H61 | C6 | H62 | 99.0° | 109.5° |
O1 | C1 | H1 | 109.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4' | C3' | C2' | H3'1 | 125.3° | 120.0° |
C4' | C3' | C2' | H3'2 | 125.3° | 120.1° |
C4' | C3' | H3'1 | H3'2 | 111.4° | 120.0° |
C3' | C4' | H4'1 | H4'2 | 125.3° | 120.0° |
C3' | C4' | H4'1 | H4'3 | 125.3° | 120.0° |
C3' | C4' | H4'2 | H4'3 | 111.4° | 120.0° |
C4' | C3' | C2' | C1' | 179.9° | 180.0° |
C4' | C3' | C2' | H2'1 | 54.8° | 60.0° |
C4' | C3' | C2' | H2'2 | 54.7° | 60.0° |
C2' | C3' | H3'1 | H3'2 | 111.4° | 119.9° |
C2' | C3' | C4' | H4'1 | 180.0° | 180.0° |
C2' | C3' | C4' | H4'2 | 54.8° | 60.0° |
C2' | C3' | C4' | H4'3 | 54.7° | 60.0° |
C3' | C2' | C1' | H2'1 | 125.3° | 119.9° |
C3' | C2' | C1' | H2'2 | 125.3° | 120.0° |
C3' | C2' | C1' | O1 | 179.9° | 180.0° |
C3' | C2' | C1' | H1'1 | 54.8° | 60.0° |
C3' | C2' | C1' | H1'2 | 54.7° | 60.0° |
C3' | C2' | H2'1 | H2'2 | 113.4° | 120.0° |
H3'1 | C3' | C4' | H4'1 | 54.8° | 60.0° |
H3'1 | C3' | C4' | H4'2 | 70.5° | 60.0° |
H3'1 | C3' | C4' | H4'3 | NaN° | 180.0° |
H3'1 | C3' | C2' | C1' | 54.7° | 60.0° |
H3'1 | C3' | C2' | H2'1 | 180.0° | 180.0° |
H3'1 | C3' | C2' | H2'2 | 70.6° | 60.0° |
H3'2 | C3' | C4' | H4'1 | 54.7° | 60.0° |
H3'2 | C3' | C4' | H4'2 | 180.0° | 180.0° |
H3'2 | C3' | C4' | H4'3 | 70.5° | 60.1° |
H3'2 | C3' | C2' | C1' | 54.8° | 59.9° |
H3'2 | C3' | C2' | H2'1 | 70.5° | 60.0° |
H3'2 | C3' | C2' | H2'2 | 179.9° | 179.9° |
H4'1 | C4' | H4'2 | H4'3 | 111.4° | 120.0° |
C2' | C1' | O1 | H1'1 | 125.2° | 120.0° |
C2' | C1' | O1 | H1'2 | 125.3° | 120.0° |
C2' | C1' | H1'1 | H1'2 | 118.3° | 120.0° |
C1' | C2' | H2'1 | H2'2 | 113.4° | 120.0° |
C2' | C1' | O1 | C1 | 167.2° | 180.0° |
O1 | C1' | H1'1 | H1'2 | 118.3° | 120.0° |
O1 | C1' | C2' | H2'1 | 54.6° | 60.1° |
O1 | C1' | C2' | H2'2 | 54.8° | 60.0° |
C1' | O1 | C1 | C2 | 179.3° | 179.9° |
C1' | O1 | C1 | O5 | 61.8° | 59.8° |
C1' | O1 | C1 | H1 | 59.0° | 60.1° |
H1'1 | C1' | C2' | H2'1 | 179.9° | 180.0° |
H1'1 | C1' | C2' | H2'2 | 70.5° | 59.9° |
H1'1 | C1' | O1 | C1 | 42.0° | 60.0° |
H1'2 | C1' | C2' | H2'1 | 70.6° | 60.0° |
H1'2 | C1' | C2' | H2'2 | 179.9° | 180.0° |
H1'2 | C1' | O1 | C1 | 67.5° | 60.0° |
O2 | C2 | C3 | C1 | 118.4° | 119.9° |
O2 | C2 | C3 | H2 | 120.6° | 120.2° |
O2 | C2 | C1 | H2 | 121.3° | 120.1° |
O2 | C2 | C3 | O3 | 60.5° | 53.6° |
O2 | C2 | C3 | C4 | 59.0° | 66.2° |
O2 | C2 | C3 | H3 | 179.5° | 174.1° |
O2 | C2 | C1 | O5 | 61.7° | 58.6° |
O2 | C2 | C1 | O1 | 178.7° | 178.8° |
O2 | C2 | C1 | H1 | 58.4° | 61.4° |
C3 | C2 | C1 | H2 | 121.0° | 119.9° |
C3 | C2 | O2 | HO2 | 62.0° | 180.0° |
C2 | C3 | O3 | C4 | 120.0° | 119.2° |
C2 | C3 | O3 | H3 | 120.0° | 120.4° |
C2 | C3 | C4 | H3 | 120.5° | 119.8° |
C2 | C3 | O3 | HO3 | 180.0° | 60.8° |
C2 | C3 | C4 | O4 | 179.7° | 173.6° |
C2 | C3 | C4 | C5 | 60.2° | 53.8° |
C2 | C3 | C4 | H4 | 59.7° | 66.2° |
C3 | C2 | C1 | O5 | 56.0° | 61.3° |
C3 | C2 | C1 | O1 | 63.6° | 58.9° |
C3 | C2 | C1 | H1 | 176.1° | 178.7° |
C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
C1 | C2 | C3 | O3 | 178.9° | 173.5° |
C1 | C2 | C3 | C4 | 59.4° | 53.7° |
C1 | C2 | C3 | H3 | 61.1° | 66.0° |
C2 | C1 | O5 | C5 | 58.1° | 67.6° |
C2 | C1 | O5 | O1 | 119.1° | 120.1° |
C2 | C1 | O5 | H1 | 120.1° | 120.0° |
C2 | C1 | O1 | H1 | 120.3° | 119.8° |
H2 | C2 | O2 | HO2 | 58.6° | 59.8° |
H2 | C2 | C3 | O3 | 60.1° | 66.6° |
H2 | C2 | C3 | C4 | 179.6° | 173.6° |
H2 | C2 | C3 | H3 | 59.9° | 53.9° |
H2 | C2 | C1 | O5 | 177.0° | 178.8° |
H2 | C2 | C1 | O1 | 57.4° | 61.1° |
H2 | C2 | C1 | H1 | 62.9° | 58.8° |
O3 | C3 | C4 | H3 | 119.9° | 120.3° |
O3 | C3 | C4 | O4 | 60.6° | 66.5° |
O3 | C3 | C4 | C5 | 179.8° | 173.7° |
O3 | C3 | C4 | H4 | 59.9° | 53.7° |
C4 | C3 | O3 | HO3 | 60.0° | 180.0° |
C3 | C4 | O4 | C5 | 119.7° | 119.6° |
C3 | C4 | O4 | H4 | 120.6° | 120.2° |
C3 | C4 | C5 | H4 | 119.9° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
C3 | C4 | C5 | O5 | 58.2° | 61.3° |
C3 | C4 | C5 | C6 | 178.7° | 178.7° |
C3 | C4 | C5 | H5 | 60.9° | 58.8° |
H3 | C3 | O3 | HO3 | 60.0° | 59.6° |
H3 | C3 | C4 | O4 | 59.3° | 53.9° |
H3 | C3 | C4 | C5 | 60.3° | 66.0° |
H3 | C3 | C4 | H4 | 179.8° | 174.1° |
O4 | C4 | C5 | H4 | 119.7° | 120.1° |
O4 | C4 | C5 | O5 | 178.6° | 178.8° |
O4 | C4 | C5 | C6 | 60.8° | 58.7° |
O4 | C4 | C5 | H5 | 59.6° | 61.2° |
C5 | C4 | O4 | HO4 | 60.3° | 180.0° |
C4 | C5 | O5 | C6 | 122.1° | 120.0° |
C4 | C5 | O5 | H5 | 119.0° | 120.1° |
C4 | C5 | C6 | H5 | 120.4° | 119.9° |
C4 | C5 | O5 | C1 | 59.0° | 67.6° |
C4 | C5 | C6 | O6 | 61.9° | 179.8° |
C4 | C5 | C6 | H61 | 63.4° | 59.8° |
C4 | C5 | C6 | H62 | 172.8° | 60.3° |
H4 | C4 | O4 | HO4 | 59.4° | 59.8° |
H4 | C4 | C5 | O5 | 61.7° | 58.6° |
H4 | C4 | C5 | C6 | 58.9° | 61.4° |
H4 | C4 | C5 | H5 | 179.3° | 178.7° |
O5 | C5 | C6 | H5 | 118.8° | 119.8° |
O5 | C5 | C6 | O6 | 58.9° | 59.9° |
O5 | C5 | C6 | H61 | 175.8° | 180.0° |
O5 | C5 | C6 | H62 | 66.4° | 60.0° |
C5 | O5 | C1 | O1 | 61.0° | 52.5° |
C5 | O5 | C1 | H1 | 178.2° | 172.5° |
C6 | C5 | O5 | C1 | 178.9° | 172.3° |
C5 | C6 | O6 | H61 | 125.2° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 119.9° |
C5 | C6 | H61 | H62 | 117.3° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | O5 | C1 | 60.1° | 52.5° |
H5 | C5 | C6 | O6 | 177.7° | 59.9° |
H5 | C5 | C6 | H61 | 57.0° | 60.2° |
H5 | C5 | C6 | H62 | 52.4° | 179.8° |
O5 | C1 | O1 | H1 | 120.8° | 119.9° |
O6 | C6 | H61 | H62 | 117.3° | 120.0° |
H61 | C6 | O6 | HO6 | 54.8° | 59.9° |
H62 | C6 | O6 | HO6 | 54.7° | 60.1° |