AMG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | O5 | sing | 1.43Å | 1.47Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.48Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.48Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.38Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C7 | O1 | sing | 1.43Å | 1.45Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 106.4° | 109.4° |
C2 | C1 | O5 | 104.6° | 109.8° |
C2 | C1 | H1 | 115.9° | 109.4° |
C1 | C2 | C3 | 112.3° | 109.1° |
C1 | C2 | O2 | 117.0° | 109.6° |
C1 | C2 | H2 | 100.5° | 109.5° |
O1 | C1 | O5 | 113.4° | 109.4° |
O1 | C1 | H1 | 107.5° | 109.4° |
C1 | O1 | C7 | 127.9° | 106.8° |
O5 | C1 | H1 | 109.1° | 109.4° |
C1 | O5 | C5 | 113.3° | 107.6° |
C3 | C2 | O2 | 104.4° | 109.6° |
C3 | C2 | H2 | 114.0° | 109.5° |
C2 | C3 | C4 | 110.9° | 108.7° |
C2 | C3 | O3 | 104.0° | 109.7° |
C2 | C3 | H3 | 112.8° | 109.6° |
O2 | C2 | H2 | 109.0° | 109.5° |
C2 | O2 | HO2 | 117.0° | 106.8° |
C4 | C3 | O3 | 111.4° | 109.6° |
C4 | C3 | H3 | 105.6° | 109.6° |
C3 | C4 | C5 | 110.7° | 109.0° |
C3 | C4 | O4 | 104.1° | 109.6° |
C3 | C4 | H4 | 113.4° | 109.5° |
O3 | C3 | H3 | 112.3° | 109.6° |
C3 | O3 | HO3 | 104.0° | 106.8° |
C5 | C4 | O4 | 112.8° | 109.6° |
C5 | C4 | H4 | 104.8° | 109.6° |
C4 | C5 | C6 | 117.7° | 109.4° |
C4 | C5 | O5 | 109.6° | 109.8° |
C4 | C5 | H5 | 103.3° | 109.4° |
O4 | C4 | H4 | 111.3° | 109.5° |
C4 | O4 | HO4 | 104.1° | 106.8° |
C6 | C5 | O5 | 108.6° | 109.4° |
C6 | C5 | H5 | 104.3° | 109.5° |
C5 | C6 | O6 | 113.4° | 109.5° |
C5 | C6 | H61 | 110.8° | 109.4° |
C5 | C6 | H62 | 110.8° | 109.5° |
O5 | C5 | H5 | 113.3° | 109.5° |
O6 | C6 | H61 | 110.7° | 109.4° |
O6 | C6 | H62 | 110.7° | 109.5° |
C6 | O6 | HO6 | 113.5° | 106.8° |
H61 | C6 | H62 | 99.6° | 109.5° |
O1 | C7 | H71 | 127.9° | 109.5° |
O1 | C7 | H72 | 105.8° | 109.4° |
O1 | C7 | H73 | 105.8° | 109.6° |
H71 | C7 | H72 | 105.8° | 109.4° |
H71 | C7 | H73 | 105.8° | 109.5° |
H72 | C7 | H73 | 103.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 114.5° | 120.3° |
C2 | C1 | O1 | H1 | 124.8° | 119.8° |
C2 | C1 | O5 | H1 | 124.6° | 120.1° |
C1 | C2 | C3 | O2 | 127.6° | 119.9° |
C1 | C2 | C3 | H2 | 113.5° | 119.9° |
C1 | C2 | O2 | H2 | 113.1° | 120.2° |
C1 | C2 | C3 | C4 | 55.5° | 53.7° |
C1 | C2 | C3 | O3 | 175.3° | 173.6° |
C1 | C2 | C3 | H3 | 62.8° | 66.0° |
C2 | C1 | O5 | C5 | 65.3° | 67.6° |
C2 | C1 | O1 | C7 | 145.9° | 179.8° |
C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
O1 | C1 | O5 | H1 | 119.8° | 119.8° |
O1 | C1 | C2 | C3 | 59.5° | 58.8° |
O1 | C1 | C2 | O2 | 61.1° | 61.1° |
O1 | C1 | C2 | H2 | 178.9° | 178.7° |
O1 | C1 | O5 | C5 | 50.2° | 52.5° |
C1 | O1 | C7 | H71 | 180.0° | 179.9° |
C1 | O1 | C7 | H72 | 54.7° | 60.0° |
C1 | O1 | C7 | H73 | 54.7° | 60.0° |
O5 | C1 | C2 | C3 | 60.9° | 61.3° |
O5 | C1 | C2 | O2 | 178.5° | 178.8° |
O5 | C1 | C2 | H2 | 60.7° | 58.6° |
C1 | O5 | C5 | C4 | 63.1° | 67.6° |
C1 | O5 | C5 | C6 | 167.0° | 172.4° |
C1 | O5 | C5 | H5 | 51.6° | 52.5° |
O5 | C1 | O1 | C7 | 99.6° | 59.9° |
H1 | C1 | C2 | C3 | 178.9° | 178.7° |
H1 | C1 | C2 | O2 | 58.3° | 58.7° |
H1 | C1 | C2 | H2 | 59.5° | 61.5° |
H1 | C1 | O5 | C5 | 170.0° | 172.4° |
H1 | C1 | O1 | C7 | 21.2° | 60.0° |
C3 | C2 | O2 | H2 | 122.2° | 120.2° |
C2 | C3 | C4 | O3 | 115.3° | 119.9° |
C2 | C3 | C4 | H3 | 122.5° | 119.8° |
C2 | C3 | O3 | H3 | 122.3° | 120.4° |
C2 | C3 | C4 | C5 | 49.6° | 53.7° |
C2 | C3 | C4 | O4 | 71.8° | 66.2° |
C2 | C3 | C4 | H4 | 167.0° | 173.6° |
C3 | C2 | O2 | HO2 | 55.4° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.8° |
O2 | C2 | C3 | C4 | 176.9° | 173.6° |
O2 | C2 | C3 | O3 | 57.1° | 66.5° |
O2 | C2 | C3 | H3 | 64.9° | 53.9° |
H2 | C2 | C3 | C4 | 58.1° | 66.2° |
H2 | C2 | C3 | O3 | 61.8° | 53.7° |
H2 | C2 | C3 | H3 | 176.3° | 174.1° |
H2 | C2 | O2 | HO2 | 66.9° | 59.9° |
C4 | C3 | O3 | H3 | 118.2° | 120.3° |
C3 | C4 | C5 | O4 | 116.2° | 120.0° |
C3 | C4 | C5 | H4 | 122.6° | 119.9° |
C3 | C4 | O4 | H4 | 122.5° | 120.2° |
C3 | C4 | C5 | C6 | 176.8° | 178.7° |
C3 | C4 | C5 | O5 | 52.1° | 61.2° |
C3 | C4 | C5 | H5 | 68.9° | 58.9° |
C4 | C3 | O3 | HO3 | 60.5° | 179.9° |
C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
O3 | C3 | C4 | C5 | 165.0° | 173.6° |
O3 | C3 | C4 | O4 | 43.5° | 53.7° |
O3 | C3 | C4 | H4 | 77.6° | 66.4° |
H3 | C3 | C4 | C5 | 72.9° | 66.0° |
H3 | C3 | C4 | O4 | 165.7° | 174.0° |
H3 | C3 | C4 | H4 | 44.6° | 53.9° |
H3 | C3 | O3 | HO3 | 57.7° | 59.6° |
C5 | C4 | O4 | H4 | 117.4° | 120.2° |
C4 | C5 | C6 | O5 | 125.2° | 120.3° |
C4 | C5 | C6 | H5 | 113.7° | 119.8° |
C4 | C5 | O5 | H5 | 114.7° | 120.1° |
C4 | C5 | C6 | O6 | 73.7° | 179.7° |
C4 | C5 | C6 | H61 | 161.1° | 59.8° |
C4 | C5 | C6 | H62 | 51.5° | 60.3° |
C5 | C4 | O4 | HO4 | 59.9° | 180.0° |
O4 | C4 | C5 | C6 | 60.6° | 61.3° |
O4 | C4 | C5 | O5 | 64.1° | 58.8° |
O4 | C4 | C5 | H5 | 174.9° | 178.9° |
H4 | C4 | C5 | C6 | 60.6° | 58.9° |
H4 | C4 | C5 | O5 | 174.6° | 178.9° |
H4 | C4 | C5 | H5 | 53.6° | 61.0° |
H4 | C4 | O4 | HO4 | 57.6° | 59.8° |
C6 | C5 | O5 | H5 | 115.4° | 119.9° |
C5 | C6 | O6 | H61 | 125.3° | 119.9° |
C5 | C6 | O6 | H62 | 125.3° | 120.1° |
C5 | C6 | H61 | H62 | 116.7° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
O5 | C5 | C6 | O6 | 51.5° | 60.1° |
O5 | C5 | C6 | H61 | 73.7° | 180.0° |
O5 | C5 | C6 | H62 | 176.7° | 60.0° |
H5 | C5 | C6 | O6 | 172.6° | 59.9° |
H5 | C5 | C6 | H61 | 47.4° | 60.1° |
H5 | C5 | C6 | H62 | 62.2° | 179.9° |
O6 | C6 | H61 | H62 | 116.6° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.8° | 60.0° |
O1 | C7 | H71 | H72 | 125.3° | 119.9° |
O1 | C7 | H71 | H73 | 125.3° | 120.1° |
O1 | C7 | H72 | H73 | 111.0° | 120.1° |
H71 | C7 | H72 | H73 | 111.0° | 120.0° |