EPG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.41Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O1 | C7 | sing | 1.43Å | 1.41Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C7 | C8 | sing | 1.53Å | 1.51Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C8 | O8 | sing | 1.43Å | 1.44Å | |
C8 | H8 | sing | 1.09Å | 1.12Å | |
C9 | O8 | sing | 1.43Å | 2.42Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 114.9° | 109.3° |
O1 | C1 | O5 | 108.7° | 109.4° |
O1 | C1 | H1 | 106.1° | 109.4° |
C1 | O1 | C7 | 115.3° | 106.8° |
C2 | C1 | O5 | 108.7° | 109.8° |
C2 | C1 | H1 | 106.0° | 109.4° |
C1 | C2 | O2 | 113.1° | 109.6° |
C1 | C2 | C3 | 107.7° | 109.0° |
C1 | C2 | H2 | 108.7° | 109.6° |
O5 | C1 | H1 | 112.5° | 109.4° |
C1 | O5 | C5 | 112.0° | 107.6° |
O1 | C7 | C8 | 108.3° | 109.5° |
O1 | C7 | H71 | 112.7° | 109.5° |
O1 | C7 | H72 | 112.7° | 109.5° |
O2 | C2 | C3 | 110.8° | 109.6° |
O2 | C2 | H2 | 105.5° | 109.5° |
C2 | O2 | HO2 | 113.0° | 106.8° |
C3 | C2 | H2 | 111.1° | 109.5° |
C2 | C3 | O3 | 110.7° | 109.6° |
C2 | C3 | C4 | 111.1° | 108.6° |
C2 | C3 | H3 | 107.5° | 109.6° |
O3 | C3 | C4 | 109.6° | 109.7° |
O3 | C3 | H3 | 109.1° | 109.7° |
C3 | O3 | HO3 | 110.7° | 106.8° |
C4 | C3 | H3 | 108.7° | 109.6° |
C3 | C4 | O4 | 109.0° | 109.5° |
C3 | C4 | C5 | 110.6° | 109.0° |
C3 | C4 | H4 | 108.8° | 109.6° |
O4 | C4 | C5 | 108.8° | 109.5° |
O4 | C4 | H4 | 110.6° | 109.5° |
C4 | O4 | HO4 | 109.0° | 106.8° |
C5 | C4 | H4 | 109.0° | 109.7° |
C4 | C5 | O5 | 110.1° | 109.7° |
C4 | C5 | C6 | 113.8° | 109.4° |
C4 | C5 | H5 | 105.6° | 109.5° |
O5 | C5 | C6 | 108.2° | 109.4° |
O5 | C5 | H5 | 111.5° | 109.4° |
C6 | C5 | H5 | 107.7° | 109.4° |
C5 | C6 | O6 | 111.3° | 109.5° |
C5 | C6 | H61 | 111.5° | 109.5° |
C5 | C6 | H62 | 111.5° | 109.5° |
O6 | C6 | H61 | 111.5° | 109.4° |
O6 | C6 | H62 | 111.5° | 109.5° |
C6 | O6 | HO6 | 111.4° | 106.8° |
H61 | C6 | H62 | 98.9° | 109.5° |
C8 | C7 | H71 | 112.7° | 109.5° |
C8 | C7 | H72 | 112.7° | 109.4° |
C7 | C8 | C9 | 108.0° | 117.8° |
C7 | C8 | O8 | 109.7° | 117.8° |
C7 | C8 | H8 | 110.5° | 115.7° |
H71 | C7 | H72 | 97.8° | 109.5° |
C9 | C8 | O8 | 110.4° | 57.7° |
C9 | C8 | H8 | 110.0° | 117.8° |
C8 | C9 | O8 | 33.8° | 57.7° |
C8 | C9 | H91 | 152.3° | 117.7° |
C8 | C9 | H92 | 152.2° | 117.8° |
O8 | C8 | H8 | 108.2° | 117.7° |
C8 | O8 | C9 | 35.9° | 64.7° |
O8 | C9 | H91 | 152.3° | 117.8° |
O8 | C9 | H92 | 152.2° | 117.9° |
H91 | C9 | H92 | 44.7° | 115.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 121.9° | 120.1° |
O1 | C1 | C2 | H1 | 116.9° | 119.8° |
O1 | C1 | O5 | H1 | 117.2° | 119.9° |
O1 | C1 | C2 | O2 | 63.0° | 61.1° |
O1 | C1 | C2 | C3 | 59.8° | 58.8° |
O1 | C1 | C2 | H2 | 179.7° | 178.7° |
O1 | C1 | O5 | C5 | 59.0° | 52.4° |
C1 | O1 | C7 | C8 | 156.1° | 180.0° |
C1 | O1 | C7 | H71 | 30.8° | 60.0° |
C1 | O1 | C7 | H72 | 78.6° | 60.0° |
C2 | C1 | O5 | H1 | 117.1° | 120.1° |
C2 | C1 | O1 | C7 | 176.8° | 179.7° |
C1 | C2 | O2 | C3 | 121.0° | 119.6° |
C1 | C2 | O2 | H2 | 118.7° | 120.2° |
C1 | C2 | C3 | H2 | 118.9° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 177.5° | 173.6° |
C1 | C2 | C3 | C4 | 55.5° | 53.7° |
C1 | C2 | C3 | H3 | 63.3° | 66.0° |
C2 | C1 | O5 | C5 | 66.6° | 67.6° |
O5 | C1 | O1 | C7 | 61.2° | 60.0° |
O5 | C1 | C2 | O2 | 175.1° | 178.8° |
O5 | C1 | C2 | C3 | 62.2° | 61.3° |
O5 | C1 | C2 | H2 | 58.3° | 58.6° |
C1 | O5 | C5 | C4 | 61.3° | 67.7° |
C1 | O5 | C5 | C6 | 173.8° | 172.3° |
C1 | O5 | C5 | H5 | 55.6° | 52.5° |
H1 | C1 | O1 | C7 | 60.0° | 59.9° |
H1 | C1 | C2 | O2 | 53.9° | 58.7° |
H1 | C1 | C2 | C3 | 176.6° | 178.6° |
H1 | C1 | C2 | H2 | 62.9° | 61.5° |
H1 | C1 | O5 | C5 | 176.3° | 172.3° |
O1 | C7 | C8 | H71 | 125.3° | 120.0° |
O1 | C7 | C8 | H72 | 125.3° | 120.0° |
O1 | C7 | H71 | H72 | 118.6° | 120.0° |
O1 | C7 | C8 | C9 | 54.4° | 178.6° |
O1 | C7 | C8 | O8 | 66.0° | 112.5° |
O1 | C7 | C8 | H8 | 174.7° | 34.4° |
O2 | C2 | C3 | H2 | 116.9° | 120.2° |
O2 | C2 | C3 | O3 | 58.3° | 66.5° |
O2 | C2 | C3 | C4 | 179.7° | 173.6° |
O2 | C2 | C3 | H3 | 60.8° | 53.9° |
C3 | C2 | O2 | HO2 | 59.0° | 179.6° |
C2 | C3 | O3 | C4 | 122.9° | 119.2° |
C2 | C3 | O3 | H3 | 118.2° | 120.3° |
C2 | C3 | C4 | H3 | 118.1° | 119.7° |
C2 | C3 | O3 | HO3 | 179.9° | 60.0° |
C2 | C3 | C4 | O4 | 171.2° | 173.7° |
C2 | C3 | C4 | C5 | 51.6° | 53.9° |
C2 | C3 | C4 | H4 | 68.1° | 66.2° |
H2 | C2 | O2 | HO2 | 61.3° | 60.2° |
H2 | C2 | C3 | O3 | 58.6° | 53.7° |
H2 | C2 | C3 | C4 | 63.4° | 66.2° |
H2 | C2 | C3 | H3 | 177.8° | 174.1° |
O3 | C3 | C4 | H3 | 119.2° | 120.5° |
O3 | C3 | C4 | O4 | 66.2° | 66.5° |
O3 | C3 | C4 | C5 | 174.2° | 173.7° |
O3 | C3 | C4 | H4 | 54.5° | 53.6° |
C4 | C3 | O3 | HO3 | 57.0° | 179.2° |
C3 | C4 | O4 | C5 | 120.7° | 119.5° |
C3 | C4 | O4 | H4 | 119.6° | 120.1° |
C3 | C4 | C5 | H4 | 119.6° | 120.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 52.3° | 61.4° |
C3 | C4 | C5 | C6 | 173.9° | 178.6° |
C3 | C4 | C5 | H5 | 68.2° | 58.7° |
H3 | C3 | O3 | HO3 | 61.9° | 60.3° |
H3 | C3 | C4 | O4 | 53.0° | 54.0° |
H3 | C3 | C4 | C5 | 66.6° | 65.9° |
H3 | C3 | C4 | H4 | 173.7° | 174.1° |
O4 | C4 | C5 | H4 | 120.7° | 120.2° |
O4 | C4 | C5 | O5 | 172.0° | 178.8° |
O4 | C4 | C5 | C6 | 66.4° | 58.8° |
O4 | C4 | C5 | H5 | 51.5° | 61.2° |
C5 | C4 | O4 | HO4 | 59.3° | 179.5° |
C4 | C5 | O5 | C6 | 124.9° | 120.0° |
C4 | C5 | O5 | H5 | 116.9° | 120.1° |
C4 | C5 | C6 | H5 | 116.7° | 119.9° |
C4 | C5 | C6 | O6 | 66.2° | 179.9° |
C4 | C5 | C6 | H61 | 168.6° | 60.1° |
C4 | C5 | C6 | H62 | 59.0° | 59.9° |
H4 | C4 | O4 | HO4 | 60.4° | 60.2° |
H4 | C4 | C5 | O5 | 67.3° | 58.6° |
H4 | C4 | C5 | C6 | 54.3° | 61.4° |
H4 | C4 | C5 | H5 | 172.2° | 178.6° |
O5 | C5 | C6 | H5 | 120.6° | 119.8° |
O5 | C5 | C6 | O6 | 56.5° | 59.8° |
O5 | C5 | C6 | H61 | 68.8° | 60.1° |
O5 | C5 | C6 | H62 | 178.3° | 179.9° |
C5 | C6 | O6 | H61 | 125.3° | 120.1° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 117.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 177.1° | 60.0° |
H5 | C5 | C6 | H61 | 51.9° | 180.0° |
H5 | C5 | C6 | H62 | 57.7° | 60.0° |
O6 | C6 | H61 | H62 | 117.4° | 119.9° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
C8 | C7 | H71 | H72 | 118.6° | 120.0° |
C7 | C8 | C9 | O8 | 120.0° | 106.9° |
C7 | C8 | C9 | H8 | 120.7° | 146.3° |
C7 | C8 | O8 | H8 | 120.7° | 146.2° |
C7 | C8 | C9 | H91 | 114.7° | 146.3° |
C7 | C8 | C9 | H92 | 5.3° | 0.1° |
H71 | C7 | C8 | C9 | 179.7° | 61.4° |
H71 | C7 | C8 | O8 | 59.3° | 127.5° |
H71 | C7 | C8 | H8 | 60.0° | 85.6° |
H72 | C7 | C8 | C9 | 70.9° | 58.6° |
H72 | C7 | C8 | O8 | 168.8° | 7.5° |
H72 | C7 | C8 | H8 | 49.5° | 154.4° |
C9 | C8 | O8 | H8 | 120.4° | 106.9° |
C8 | C9 | O8 | H91 | 125.3° | 106.8° |
C8 | C9 | O8 | H92 | 125.2° | 106.8° |
C8 | C9 | H91 | H92 | 141.3° | 146.9° |
H8 | C8 | C9 | H91 | 6.0° | 0.0° |
H8 | C8 | C9 | H92 | 115.4° | 146.2° |
O8 | C9 | H91 | H92 | 141.4° | 147.1° |