BGL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.36Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | C1' | sing | 1.43Å | 1.44Å | |
C3 | O3 | sing | 1.43Å | 1.39Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.38Å | |
C4 | C5 | sing | 1.53Å | 1.60Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.57Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C1' | C2' | sing | 1.53Å | 1.47Å | |
C1' | H1'1 | sing | 1.09Å | 1.12Å | |
C1' | H1'2 | sing | 1.09Å | 1.12Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C3' | C4' | sing | 1.53Å | 1.52Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
C4' | H4'1 | sing | 1.09Å | 1.11Å | |
C4' | H4'2 | sing | 1.09Å | 1.12Å | |
C5' | C6' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C6' | C7' | sing | 1.53Å | 1.51Å | |
C6' | H6'1 | sing | 1.09Å | 1.11Å | |
C6' | H6'2 | sing | 1.09Å | 1.12Å | |
C7' | C8' | sing | 1.53Å | 1.46Å | |
C7' | H7'1 | sing | 1.09Å | 1.12Å | |
C7' | H7'2 | sing | 1.09Å | 1.12Å | |
C8' | H8'1 | sing | 1.09Å | 1.12Å | |
C8' | H8'2 | sing | 1.09Å | 1.12Å | |
C8' | H8'3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 112.4° | 109.4° |
O1 | C1 | O5 | 106.2° | 109.3° |
O1 | C1 | H1 | 110.2° | 109.5° |
C1 | O1 | HO1 | 112.4° | 106.8° |
C2 | C1 | O5 | 110.9° | 109.8° |
C2 | C1 | H1 | 105.5° | 109.4° |
C1 | C2 | O2 | 108.2° | 109.6° |
C1 | C2 | C3 | 105.1° | 109.1° |
C1 | C2 | H2 | 114.7° | 109.5° |
O5 | C1 | H1 | 111.7° | 109.3° |
C1 | O5 | C5 | 106.6° | 107.7° |
O2 | C2 | C3 | 113.9° | 109.6° |
O2 | C2 | H2 | 106.0° | 109.6° |
C2 | O2 | C1' | 116.4° | 106.8° |
C3 | C2 | H2 | 109.0° | 109.5° |
C2 | C3 | O3 | 118.3° | 109.9° |
C2 | C3 | C4 | 105.5° | 108.7° |
C2 | C3 | H3 | 107.2° | 109.5° |
O2 | C1' | C2' | 116.2° | 109.5° |
O2 | C1' | H1'1 | 109.8° | 109.5° |
O2 | C1' | H1'2 | 109.8° | 109.4° |
O3 | C3 | C4 | 112.1° | 109.7° |
O3 | C3 | H3 | 99.9° | 109.5° |
C3 | O3 | HO3 | 118.3° | 106.8° |
C4 | C3 | H3 | 114.0° | 109.5° |
C3 | C4 | O4 | 117.7° | 109.7° |
C3 | C4 | C5 | 105.4° | 109.1° |
C3 | C4 | H4 | 108.1° | 109.4° |
O4 | C4 | C5 | 113.2° | 109.6° |
O4 | C4 | H4 | 99.4° | 109.5° |
C4 | O4 | HO4 | 117.6° | 106.8° |
C5 | C4 | H4 | 113.1° | 109.5° |
C4 | C5 | O5 | 102.4° | 109.8° |
C4 | C5 | C6 | 127.0° | 109.4° |
C4 | C5 | H5 | 103.1° | 109.4° |
O5 | C5 | C6 | 110.6° | 109.4° |
O5 | C5 | H5 | 122.2° | 109.4° |
C6 | C5 | H5 | 93.2° | 109.4° |
C5 | C6 | O6 | 121.7° | 109.5° |
C5 | C6 | H61 | 107.9° | 109.5° |
C5 | C6 | H62 | 107.9° | 109.4° |
O6 | C6 | H61 | 107.8° | 109.5° |
O6 | C6 | H62 | 107.8° | 109.5° |
C6 | O6 | HO6 | 121.7° | 106.9° |
H61 | C6 | H62 | 101.9° | 109.5° |
C2' | C1' | H1'1 | 109.8° | 109.5° |
C2' | C1' | H1'2 | 109.8° | 109.5° |
C1' | C2' | C3' | 112.5° | 109.5° |
C1' | C2' | H2'1 | 111.1° | 109.5° |
C1' | C2' | H2'2 | 111.1° | 109.4° |
H1'1 | C1' | H1'2 | 100.3° | 109.4° |
C3' | C2' | H2'1 | 111.1° | 109.5° |
C3' | C2' | H2'2 | 111.1° | 109.4° |
C2' | C3' | C4' | 111.6° | 109.6° |
C2' | C3' | H3'1 | 111.5° | 109.5° |
C2' | C3' | H3'2 | 111.4° | 109.5° |
H2'1 | C2' | H2'2 | 99.3° | 109.5° |
C4' | C3' | H3'1 | 111.4° | 109.4° |
C4' | C3' | H3'2 | 111.4° | 109.4° |
C3' | C4' | C5' | 110.9° | 109.6° |
C3' | C4' | H4'1 | 111.7° | 109.5° |
C3' | C4' | H4'2 | 111.7° | 109.4° |
H3'1 | C3' | H3'2 | 98.9° | 109.4° |
C5' | C4' | H4'1 | 111.6° | 109.5° |
C5' | C4' | H4'2 | 111.6° | 109.5° |
C4' | C5' | C6' | 114.2° | 109.5° |
C4' | C5' | H5'1 | 110.5° | 109.5° |
C4' | C5' | H5'2 | 110.5° | 109.5° |
H4'1 | C4' | H4'2 | 98.8° | 109.4° |
C6' | C5' | H5'1 | 110.5° | 109.5° |
C6' | C5' | H5'2 | 110.5° | 109.4° |
C5' | C6' | C7' | 109.3° | 109.5° |
C5' | C6' | H6'1 | 112.3° | 109.5° |
C5' | C6' | H6'2 | 112.3° | 109.4° |
H5'1 | C5' | H5'2 | 99.8° | 109.4° |
C7' | C6' | H6'1 | 112.2° | 109.5° |
C7' | C6' | H6'2 | 112.3° | 109.4° |
C6' | C7' | C8' | 109.3° | 109.5° |
C6' | C7' | H7'1 | 112.3° | 109.4° |
C6' | C7' | H7'2 | 112.3° | 109.5° |
H6'1 | C6' | H6'2 | 98.2° | 109.5° |
C8' | C7' | H7'1 | 112.2° | 109.4° |
C8' | C7' | H7'2 | 112.2° | 109.5° |
C7' | C8' | H8'1 | 109.4° | 109.5° |
C7' | C8' | H8'2 | 112.3° | 109.5° |
C7' | C8' | H8'3 | 112.3° | 109.4° |
H7'1 | C7' | H7'2 | 98.2° | 109.5° |
H8'1 | C8' | H8'2 | 112.2° | 109.5° |
H8'1 | C8' | H8'3 | 112.2° | 109.4° |
H8'2 | C8' | H8'3 | 98.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 118.8° | 120.0° |
O1 | C1 | C2 | H1 | 120.1° | 119.9° |
O1 | C1 | O5 | H1 | 120.2° | 119.8° |
O1 | C1 | C2 | O2 | 55.5° | 58.9° |
O1 | C1 | C2 | C3 | 177.6° | 178.9° |
O1 | C1 | C2 | H2 | 62.6° | 61.3° |
O1 | C1 | O5 | C5 | 165.9° | 172.4° |
C2 | C1 | O5 | H1 | 117.4° | 120.1° |
C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
C1 | C2 | O2 | C3 | 116.5° | 119.7° |
C1 | C2 | O2 | H2 | 123.5° | 120.2° |
C1 | C2 | C3 | H2 | 123.5° | 119.8° |
C1 | C2 | O2 | C1' | 73.0° | 90.2° |
C1 | C2 | C3 | O3 | 173.2° | 173.5° |
C1 | C2 | C3 | C4 | 60.5° | 53.5° |
C1 | C2 | C3 | H3 | 61.4° | 66.1° |
C2 | C1 | O5 | C5 | 71.7° | 67.5° |
O5 | C1 | O1 | HO1 | 58.6° | 59.7° |
O5 | C1 | C2 | O2 | 174.2° | 178.9° |
O5 | C1 | C2 | C3 | 63.6° | 61.1° |
O5 | C1 | C2 | H2 | 56.1° | 58.7° |
C1 | O5 | C5 | C4 | 71.7° | 67.5° |
C1 | O5 | C5 | C6 | 150.4° | 172.4° |
C1 | O5 | C5 | H5 | 42.6° | 52.5° |
H1 | C1 | O1 | HO1 | 62.6° | 60.0° |
H1 | C1 | C2 | O2 | 64.6° | 61.1° |
H1 | C1 | C2 | C3 | 57.5° | 58.9° |
H1 | C1 | C2 | H2 | 177.2° | 178.7° |
H1 | C1 | O5 | C5 | 45.7° | 52.6° |
O2 | C2 | C3 | H2 | 118.2° | 120.2° |
O2 | C2 | C3 | O3 | 54.9° | 66.5° |
O2 | C2 | C3 | C4 | 178.7° | 173.4° |
O2 | C2 | C3 | H3 | 56.9° | 53.8° |
C2 | O2 | C1' | C2' | 173.6° | 180.0° |
C2 | O2 | C1' | H1'1 | 61.2° | 60.0° |
C2 | O2 | C1' | H1'2 | 48.2° | 59.9° |
C3 | C2 | O2 | C1' | 170.4° | 150.2° |
C2 | C3 | O3 | C4 | 123.1° | 119.4° |
C2 | C3 | O3 | H3 | 115.8° | 120.3° |
C2 | C3 | C4 | H3 | 117.3° | 119.6° |
C2 | C3 | O3 | HO3 | 180.0° | 179.4° |
C2 | C3 | C4 | O4 | 166.4° | 173.6° |
C2 | C3 | C4 | C5 | 66.3° | 53.5° |
C2 | C3 | C4 | H4 | 54.9° | 66.3° |
H2 | C2 | O2 | C1' | 50.5° | 30.0° |
H2 | C2 | C3 | O3 | 63.3° | 53.7° |
H2 | C2 | C3 | C4 | 63.0° | 66.4° |
H2 | C2 | C3 | H3 | 175.1° | 174.0° |
O2 | C1' | C2' | H1'1 | 125.3° | 120.0° |
O2 | C1' | C2' | H1'2 | 125.3° | 120.0° |
O2 | C1' | H1'1 | H1'2 | 115.5° | 119.9° |
O2 | C1' | C2' | C3' | 156.5° | 180.0° |
O2 | C1' | C2' | H2'1 | 78.3° | 60.0° |
O2 | C1' | C2' | H2'2 | 31.3° | 60.0° |
O3 | C3 | C4 | H3 | 112.6° | 120.2° |
O3 | C3 | C4 | O4 | 36.4° | 66.3° |
O3 | C3 | C4 | C5 | 163.7° | 173.7° |
O3 | C3 | C4 | H4 | 75.1° | 53.8° |
C4 | C3 | O3 | HO3 | 56.9° | 60.0° |
C3 | C4 | O4 | C5 | 123.5° | 119.8° |
C3 | C4 | O4 | H4 | 116.3° | 120.1° |
C3 | C4 | C5 | H4 | 117.9° | 119.8° |
C3 | C4 | O4 | HO4 | 180.0° | 179.7° |
C3 | C4 | C5 | O5 | 71.1° | 61.1° |
C3 | C4 | C5 | C6 | 160.8° | 178.8° |
C3 | C4 | C5 | H5 | 56.5° | 58.9° |
H3 | C3 | O3 | HO3 | 64.2° | 60.3° |
H3 | C3 | C4 | O4 | 76.2° | 54.0° |
H3 | C3 | C4 | C5 | 51.1° | 66.1° |
H3 | C3 | C4 | H4 | 172.3° | 174.1° |
O4 | C4 | C5 | H4 | 112.1° | 120.1° |
O4 | C4 | C5 | O5 | 158.9° | 178.8° |
O4 | C4 | C5 | C6 | 30.8° | 58.6° |
O4 | C4 | C5 | H5 | 73.4° | 61.2° |
C5 | C4 | O4 | HO4 | 56.5° | 59.9° |
C4 | C5 | O5 | C6 | 137.9° | 120.1° |
C4 | C5 | O5 | H5 | 114.3° | 120.1° |
C4 | C5 | C6 | H5 | 109.0° | 119.8° |
C4 | C5 | C6 | O6 | 62.5° | 179.8° |
C4 | C5 | C6 | H61 | 172.2° | 59.7° |
C4 | C5 | C6 | H62 | 62.8° | 60.3° |
H4 | C4 | O4 | HO4 | 63.7° | 60.3° |
H4 | C4 | C5 | O5 | 46.9° | 58.7° |
H4 | C4 | C5 | C6 | 81.3° | 61.5° |
H4 | C4 | C5 | H5 | 174.5° | 178.7° |
O5 | C5 | C6 | H5 | 126.2° | 119.8° |
O5 | C5 | C6 | O6 | 62.3° | 59.9° |
O5 | C5 | C6 | H61 | 63.0° | 180.0° |
O5 | C5 | C6 | H62 | 172.4° | 60.1° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 119.9° |
C5 | C6 | H61 | H62 | 113.5° | 119.9° |
C5 | C6 | O6 | HO6 | 179.9° | 179.9° |
H5 | C5 | C6 | O6 | 171.5° | 59.9° |
H5 | C5 | C6 | H61 | 63.3° | 60.1° |
H5 | C5 | C6 | H62 | 46.2° | 179.9° |
O6 | C6 | H61 | H62 | 113.4° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
H62 | C6 | O6 | HO6 | 54.7° | 60.1° |
C2' | C1' | H1'1 | H1'2 | 115.6° | 120.1° |
C1' | C2' | C3' | H2'1 | 125.2° | 120.0° |
C1' | C2' | C3' | H2'2 | 125.3° | 120.0° |
C1' | C2' | H2'1 | H2'2 | 117.0° | 120.0° |
C1' | C2' | C3' | C4' | 172.9° | 180.0° |
C1' | C2' | C3' | H3'1 | 47.6° | 59.9° |
C1' | C2' | C3' | H3'2 | 61.8° | 60.0° |
H1'1 | C1' | C2' | C3' | 31.2° | 60.0° |
H1'1 | C1' | C2' | H2'1 | 156.5° | 180.0° |
H1'1 | C1' | C2' | H2'2 | 94.0° | 60.0° |
H1'2 | C1' | C2' | C3' | 78.2° | 60.0° |
H1'2 | C1' | C2' | H2'1 | 47.1° | 60.0° |
H1'2 | C1' | C2' | H2'2 | 156.6° | 180.0° |
C3' | C2' | H2'1 | H2'2 | 117.0° | 120.0° |
C2' | C3' | C4' | H3'1 | 125.3° | 120.1° |
C2' | C3' | C4' | H3'2 | 125.3° | 120.0° |
C2' | C3' | H3'1 | H3'2 | 117.3° | 120.0° |
C2' | C3' | C4' | C5' | 176.0° | 180.0° |
C2' | C3' | C4' | H4'1 | 50.8° | 59.9° |
C2' | C3' | C4' | H4'2 | 58.7° | 60.0° |
H2'1 | C2' | C3' | C4' | 61.8° | 60.0° |
H2'1 | C2' | C3' | H3'1 | 172.9° | 180.0° |
H2'1 | C2' | C3' | H3'2 | 63.4° | 60.0° |
H2'2 | C2' | C3' | C4' | 47.7° | 60.1° |
H2'2 | C2' | C3' | H3'1 | 77.6° | 60.0° |
H2'2 | C2' | C3' | H3'2 | 173.0° | 180.0° |
C4' | C3' | H3'1 | H3'2 | 117.3° | 119.9° |
C3' | C4' | C5' | H4'1 | 125.3° | 120.1° |
C3' | C4' | C5' | H4'2 | 125.2° | 120.0° |
C3' | C4' | H4'1 | H4'2 | 117.6° | 119.9° |
C3' | C4' | C5' | C6' | 50.8° | 180.0° |
C3' | C4' | C5' | H5'1 | 74.4° | 60.0° |
C3' | C4' | C5' | H5'2 | 176.0° | 60.0° |
H3'1 | C3' | C4' | C5' | 58.7° | 59.9° |
H3'1 | C3' | C4' | H4'1 | 176.1° | 180.0° |
H3'1 | C3' | C4' | H4'2 | 66.5° | 60.1° |
H3'2 | C3' | C4' | C5' | 50.8° | 60.0° |
H3'2 | C3' | C4' | H4'1 | 74.5° | 60.1° |
H3'2 | C3' | C4' | H4'2 | 176.0° | 180.0° |
C5' | C4' | H4'1 | H4'2 | 117.6° | 119.9° |
C4' | C5' | C6' | H5'1 | 125.3° | 120.1° |
C4' | C5' | C6' | H5'2 | 125.2° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 116.4° | 120.0° |
C4' | C5' | C6' | C7' | 156.0° | 180.0° |
C4' | C5' | C6' | H6'1 | 30.7° | 59.9° |
C4' | C5' | C6' | H6'2 | 78.8° | 60.1° |
H4'1 | C4' | C5' | C6' | 176.1° | 59.9° |
H4'1 | C4' | C5' | H5'1 | 50.8° | 179.9° |
H4'1 | C4' | C5' | H5'2 | 58.7° | 60.1° |
H4'2 | C4' | C5' | C6' | 74.4° | 60.0° |
H4'2 | C4' | C5' | H5'1 | 160.3° | 60.0° |
H4'2 | C4' | C5' | H5'2 | 50.8° | 180.0° |
C6' | C5' | H5'1 | H5'2 | 116.3° | 119.9° |
C5' | C6' | C7' | H6'1 | 125.3° | 120.1° |
C5' | C6' | C7' | H6'2 | 125.3° | 119.9° |
C5' | C6' | H6'1 | H6'2 | 118.2° | 119.9° |
C5' | C6' | C7' | C8' | 168.8° | 179.9° |
C5' | C6' | C7' | H7'1 | 43.6° | 60.0° |
C5' | C6' | C7' | H7'2 | 66.0° | 60.0° |
H5'1 | C5' | C6' | C7' | 78.7° | 59.9° |
H5'1 | C5' | C6' | H6'1 | 156.0° | 180.0° |
H5'1 | C5' | C6' | H6'2 | 46.5° | 60.0° |
H5'2 | C5' | C6' | C7' | 30.7° | 60.0° |
H5'2 | C5' | C6' | H6'1 | 94.5° | 60.1° |
H5'2 | C5' | C6' | H6'2 | 156.0° | 180.0° |
C7' | C6' | H6'1 | H6'2 | 118.2° | 119.9° |
C6' | C7' | C8' | H7'1 | 125.3° | 120.0° |
C6' | C7' | C8' | H7'2 | 125.3° | 120.0° |
C6' | C7' | H7'1 | H7'2 | 118.3° | 120.0° |
C6' | C7' | C8' | H8'1 | 180.0° | 180.0° |
C6' | C7' | C8' | H8'2 | 54.7° | 60.0° |
C6' | C7' | C8' | H8'3 | 54.8° | 60.0° |
H6'1 | C6' | C7' | C8' | 65.9° | 60.0° |
H6'1 | C6' | C7' | H7'1 | 168.9° | 179.9° |
H6'1 | C6' | C7' | H7'2 | 59.3° | 60.1° |
H6'2 | C6' | C7' | C8' | 43.5° | 60.0° |
H6'2 | C6' | C7' | H7'1 | 81.7° | 60.0° |
H6'2 | C6' | C7' | H7'2 | 168.7° | 179.9° |
C8' | C7' | H7'1 | H7'2 | 118.1° | 120.0° |
C7' | C8' | H8'1 | H8'2 | 125.3° | 120.1° |
C7' | C8' | H8'1 | H8'3 | 125.3° | 119.9° |
C7' | C8' | H8'2 | H8'3 | 118.2° | 120.0° |
H7'1 | C7' | C8' | H8'1 | 54.7° | 60.1° |
H7'1 | C7' | C8' | H8'2 | 180.0° | 60.0° |
H7'1 | C7' | C8' | H8'3 | 70.5° | 180.0° |
H7'2 | C7' | C8' | H8'1 | 54.7° | 59.9° |
H7'2 | C7' | C8' | H8'2 | 70.5° | 180.0° |
H7'2 | C7' | C8' | H8'3 | 180.0° | 60.0° |
H8'1 | C8' | H8'2 | H8'3 | 118.1° | 119.9° |