MUG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | sing | 1.34Å | 1.40Å | Aromatic |
O1 | C8A | sing | 1.35Å | 1.37Å | Aromatic |
C2 | O2 | doub | 1.22Å | 1.20Å | |
C2 | C3 | sing | 1.41Å | 1.38Å | Aromatic |
C3 | C4 | doub | 1.36Å | 1.40Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | CM4 | sing | 1.51Å | 1.52Å | |
C4 | C4A | sing | 1.46Å | 1.38Å | Aromatic |
CM4 | HM41 | sing | 1.09Å | 1.12Å | |
CM4 | HM42 | sing | 1.09Å | 1.11Å | |
CM4 | HM43 | sing | 1.09Å | 1.11Å | |
C4A | C5 | doub | 1.40Å | 1.40Å | Aromatic |
C4A | C8A | sing | 1.41Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.36Å | 1.38Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | O1' | sing | 1.36Å | 1.42Å | |
C8 | C8A | doub | 1.39Å | 1.36Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C1' | O1' | sing | 1.43Å | 1.40Å | |
C1' | C2' | sing | 1.53Å | 1.51Å | |
C1' | O5' | sing | 1.43Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.53Å | 1.53Å | |
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 | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
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' | H6'1 | sing | 1.09Å | 1.11Å | |
C6' | H6'2 | sing | 1.09Å | 1.12Å | |
O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O1 | C8A | 120.1° | 121.5° |
O1 | C2 | O2 | 118.3° | 119.2° |
O1 | C2 | C3 | 119.6° | 121.7° |
O1 | C8A | C4A | 121.0° | 119.8° |
O1 | C8A | C8 | 118.6° | 120.8° |
O2 | C2 | C3 | 122.1° | 119.1° |
C2 | C3 | C4 | 119.9° | 119.8° |
C2 | C3 | H3 | 119.4° | 120.0° |
C4 | C3 | H3 | 120.7° | 120.2° |
C3 | C4 | CM4 | 119.8° | 120.9° |
C3 | C4 | C4A | 120.1° | 118.3° |
CM4 | C4 | C4A | 120.1° | 120.9° |
C4 | CM4 | HM41 | 119.8° | 109.5° |
C4 | CM4 | HM42 | 108.5° | 109.5° |
C4 | CM4 | HM43 | 108.5° | 109.5° |
C4 | C4A | C5 | 120.8° | 121.0° |
C4 | C4A | C8A | 119.3° | 119.0° |
HM41 | CM4 | HM42 | 108.5° | 109.4° |
HM41 | CM4 | HM43 | 108.5° | 109.5° |
HM42 | CM4 | HM43 | 101.5° | 109.5° |
C5 | C4A | C8A | 119.9° | 120.0° |
C4A | C5 | C6 | 119.1° | 119.8° |
C4A | C5 | H5 | 120.9° | 120.1° |
C4A | C8A | C8 | 120.5° | 119.4° |
C6 | C5 | H5 | 119.9° | 120.1° |
C5 | C6 | C7 | 120.3° | 120.4° |
C5 | C6 | H6 | 119.6° | 119.7° |
C7 | C6 | H6 | 120.0° | 119.8° |
C6 | C7 | C8 | 119.6° | 120.5° |
C6 | C7 | O1' | 121.8° | 119.7° |
C8 | C7 | O1' | 118.6° | 119.9° |
C7 | C8 | C8A | 120.6° | 119.9° |
C7 | C8 | H8 | 120.4° | 120.1° |
C7 | O1' | C1' | 118.5° | 106.9° |
C8A | C8 | H8 | 119.0° | 120.0° |
O1' | C1' | C2' | 108.0° | 109.4° |
O1' | C1' | O5' | 112.0° | 109.4° |
O1' | C1' | H1' | 109.0° | 109.4° |
C2' | C1' | O5' | 110.1° | 109.7° |
C2' | C1' | H1' | 111.0° | 109.4° |
C1' | C2' | O2' | 108.3° | 109.5° |
C1' | C2' | C3' | 109.3° | 109.1° |
C1' | C2' | H2' | 110.4° | 109.5° |
O5' | C1' | H1' | 106.9° | 109.5° |
C1' | O5' | C5' | 114.2° | 107.6° |
O2' | C2' | C3' | 109.4° | 109.6° |
O2' | C2' | H2' | 110.3° | 109.6° |
C2' | O2' | HO2' | 108.2° | 106.8° |
C3' | C2' | H2' | 109.3° | 109.5° |
C2' | C3' | O3' | 110.2° | 109.8° |
C2' | C3' | C4' | 110.9° | 108.6° |
C2' | C3' | H3' | 108.2° | 109.6° |
O3' | C3' | C4' | 109.8° | 109.6° |
O3' | C3' | H3' | 109.3° | 109.6° |
C3' | O3' | HO3' | 110.1° | 106.8° |
C4' | C3' | H3' | 108.5° | 109.6° |
C3' | C4' | O4' | 109.1° | 109.6° |
C3' | C4' | C5' | 111.0° | 109.0° |
C3' | C4' | H4' | 108.6° | 109.6° |
O4' | C4' | C5' | 109.0° | 109.5° |
O4' | C4' | H4' | 110.5° | 109.5° |
C4' | O4' | HO4' | 109.1° | 106.8° |
C5' | C4' | H4' | 108.6° | 109.6° |
C4' | C5' | O5' | 110.2° | 109.8° |
C4' | C5' | C6' | 111.5° | 109.4° |
C4' | C5' | H5' | 106.9° | 109.5° |
O5' | C5' | C6' | 107.2° | 109.4° |
O5' | C5' | H5' | 111.2° | 109.4° |
C6' | C5' | H5' | 109.9° | 109.4° |
C5' | C6' | O6' | 110.2° | 109.5° |
C5' | C6' | H6'1 | 111.9° | 109.5° |
C5' | C6' | H6'2 | 111.9° | 109.5° |
O6' | C6' | H6'1 | 112.0° | 109.5° |
O6' | C6' | H6'2 | 112.0° | 109.4° |
C6' | O6' | HO6' | 110.2° | 106.8° |
H6'1 | C6' | H6'2 | 98.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | O2 | C3 | 179.5° | 179.9° |
O1 | C2 | C3 | C4 | 0.3° | 0.2° |
O1 | C2 | C3 | H3 | 179.7° | 180.0° |
C2 | O1 | C8A | C4A | 0.0° | 0.3° |
C2 | O1 | C8A | C8 | 179.3° | 179.9° |
C8A | O1 | C2 | O2 | 179.4° | 180.0° |
C8A | O1 | C2 | C3 | 0.2° | 0.1° |
O1 | C8A | C4A | C4 | 0.1° | 0.5° |
O1 | C8A | C4A | C5 | 179.6° | 179.7° |
O1 | C8A | C4A | C8 | 179.3° | 179.8° |
O1 | C8A | C8 | C7 | 179.6° | 180.0° |
O1 | C8A | C8 | H8 | 0.4° | 0.0° |
O2 | C2 | C3 | C4 | 179.2° | 180.0° |
O2 | C2 | C3 | H3 | 0.7° | 0.2° |
C2 | C3 | C4 | H3 | 180.0° | 179.8° |
C2 | C3 | C4 | CM4 | 179.9° | 180.0° |
C2 | C3 | C4 | C4A | 0.2° | 0.3° |
C3 | C4 | CM4 | C4A | 179.9° | 179.7° |
C3 | C4 | CM4 | HM41 | 180.0° | 0.1° |
C3 | C4 | CM4 | HM42 | 54.8° | 120.0° |
C3 | C4 | CM4 | HM43 | 54.8° | 119.9° |
C3 | C4 | C4A | C5 | 179.5° | 179.7° |
C3 | C4 | C4A | C8A | 0.0° | 0.5° |
H3 | C3 | C4 | CM4 | 0.1° | 0.1° |
H3 | C3 | C4 | C4A | 179.8° | 179.8° |
C4 | CM4 | HM41 | HM42 | 125.2° | 120.0° |
C4 | CM4 | HM41 | HM43 | 125.3° | 120.0° |
C4 | CM4 | HM42 | HM43 | 114.2° | 120.1° |
CM4 | C4 | C4A | C5 | 0.4° | 0.6° |
CM4 | C4 | C4A | C8A | 179.9° | 179.8° |
C4A | C4 | CM4 | HM41 | 0.1° | 179.8° |
C4A | C4 | CM4 | HM42 | 125.4° | 60.3° |
C4A | C4 | CM4 | HM43 | 125.1° | 59.8° |
C4 | C4A | C5 | C8A | 179.5° | 179.2° |
C4 | C4A | C5 | C6 | 179.2° | 179.8° |
C4 | C4A | C5 | H5 | 0.7° | 0.5° |
C4 | C4A | C8A | C8 | 179.2° | 179.7° |
HM41 | CM4 | HM42 | HM43 | 114.2° | 120.0° |
C4A | C5 | C6 | H5 | 180.0° | 179.7° |
C4A | C5 | C6 | C7 | 0.2° | 0.3° |
C4A | C5 | C6 | H6 | 179.8° | 179.7° |
C5 | C4A | C8A | C8 | 0.3° | 0.5° |
C8A | C4A | C5 | C6 | 0.3° | 0.5° |
C8A | C4A | C5 | H5 | 179.7° | 179.8° |
C4A | C8A | C8 | C7 | 0.2° | 0.2° |
C4A | C8A | C8 | H8 | 179.8° | 179.8° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.1° |
C5 | C6 | C7 | O1' | 179.4° | 180.0° |
H5 | C5 | C6 | C7 | 179.8° | 180.0° |
H5 | C5 | C6 | H6 | 0.1° | 0.0° |
C6 | C7 | C8 | O1' | 179.5° | 179.9° |
C6 | C7 | C8 | C8A | 0.1° | 0.0° |
C6 | C7 | C8 | H8 | 179.9° | 180.0° |
C6 | C7 | O1' | C1' | 96.7° | 5.5° |
H6 | C6 | C7 | C8 | 179.9° | 179.9° |
H6 | C6 | C7 | O1' | 0.6° | 0.0° |
C7 | C8 | C8A | H8 | 180.0° | 180.0° |
C8 | C7 | O1' | C1' | 82.8° | 174.4° |
O1' | C7 | C8 | C8A | 179.4° | 180.0° |
O1' | C7 | C8 | H8 | 0.6° | 0.0° |
C7 | O1' | C1' | C2' | 169.3° | 165.7° |
C7 | O1' | C1' | O5' | 69.4° | 74.0° |
C7 | O1' | C1' | H1' | 48.7° | 45.9° |
O1' | C1' | C2' | O5' | 122.5° | 120.1° |
O1' | C1' | C2' | H1' | 119.4° | 119.8° |
O1' | C1' | O5' | H1' | 119.3° | 119.9° |
O1' | C1' | C2' | O2' | 54.8° | 61.1° |
O1' | C1' | C2' | C3' | 64.3° | 58.8° |
O1' | C1' | C2' | H2' | 175.6° | 178.7° |
O1' | C1' | O5' | C5' | 57.9° | 52.5° |
C2' | C1' | O5' | H1' | 120.6° | 120.1° |
C1' | C2' | O2' | C3' | 119.0° | 119.6° |
C1' | C2' | O2' | H2' | 120.9° | 120.1° |
C1' | C2' | C3' | H2' | 120.8° | 119.8° |
C1' | C2' | O2' | HO2' | 180.0° | 60.4° |
C1' | C2' | C3' | O3' | 175.9° | 173.6° |
C1' | C2' | C3' | C4' | 54.1° | 53.7° |
C1' | C2' | C3' | H3' | 64.7° | 66.0° |
C2' | C1' | O5' | C5' | 62.2° | 67.6° |
O5' | C1' | C2' | O2' | 177.2° | 178.8° |
O5' | C1' | C2' | C3' | 58.2° | 61.3° |
O5' | C1' | C2' | H2' | 62.0° | 58.6° |
C1' | O5' | C5' | C4' | 58.6° | 67.7° |
C1' | O5' | C5' | C6' | 180.0° | 172.3° |
C1' | O5' | C5' | H5' | 59.8° | 52.5° |
H1' | C1' | C2' | O2' | 64.7° | 58.7° |
H1' | C1' | C2' | C3' | 176.3° | 178.6° |
H1' | C1' | C2' | H2' | 56.1° | 61.5° |
H1' | C1' | O5' | C5' | 177.2° | 172.4° |
O2' | C2' | C3' | H2' | 120.8° | 120.3° |
O2' | C2' | C3' | O3' | 65.8° | 66.5° |
O2' | C2' | C3' | C4' | 172.5° | 173.6° |
O2' | C2' | C3' | H3' | 53.6° | 53.9° |
C3' | C2' | O2' | HO2' | 61.0° | 180.0° |
C2' | C3' | O3' | C4' | 122.4° | 119.2° |
C2' | C3' | O3' | H3' | 118.7° | 120.5° |
C2' | C3' | C4' | H3' | 118.7° | 119.7° |
C2' | C3' | O3' | HO3' | 180.0° | 60.7° |
C2' | C3' | C4' | O4' | 171.7° | 173.6° |
C2' | C3' | C4' | C5' | 51.6° | 53.7° |
C2' | C3' | C4' | H4' | 67.8° | 66.2° |
H2' | C2' | O2' | HO2' | 59.2° | 59.7° |
H2' | C2' | C3' | O3' | 55.0° | 53.7° |
H2' | C2' | C3' | C4' | 66.7° | 66.1° |
H2' | C2' | C3' | H3' | 174.4° | 174.2° |
O3' | C3' | C4' | H3' | 119.3° | 120.3° |
O3' | C3' | C4' | O4' | 66.3° | 66.5° |
O3' | C3' | C4' | C5' | 173.5° | 173.7° |
O3' | C3' | C4' | H4' | 54.2° | 53.7° |
C4' | C3' | O3' | HO3' | 57.6° | 180.0° |
C3' | C4' | O4' | C5' | 121.4° | 119.5° |
C3' | C4' | O4' | H4' | 119.3° | 120.2° |
C3' | C4' | C5' | H4' | 119.3° | 119.9° |
C3' | C4' | O4' | HO4' | 179.9° | 60.4° |
C3' | C4' | C5' | O5' | 51.9° | 61.3° |
C3' | C4' | C5' | C6' | 170.8° | 178.7° |
C3' | C4' | C5' | H5' | 69.1° | 58.8° |
H3' | C3' | O3' | HO3' | 61.3° | 59.7° |
H3' | C3' | C4' | O4' | 53.1° | 53.9° |
H3' | C3' | C4' | C5' | 67.1° | 66.0° |
H3' | C3' | C4' | H4' | 173.5° | 174.1° |
O4' | C4' | C5' | H4' | 120.5° | 120.2° |
O4' | C4' | C5' | O5' | 172.2° | 178.8° |
O4' | C4' | C5' | C6' | 68.9° | 58.8° |
O4' | C4' | C5' | H5' | 51.2° | 61.1° |
C5' | C4' | O4' | HO4' | 58.7° | 179.9° |
C4' | C5' | O5' | C6' | 121.5° | 120.0° |
C4' | C5' | O5' | H5' | 118.3° | 120.2° |
C4' | C5' | C6' | H5' | 118.3° | 119.9° |
C4' | C5' | C6' | O6' | 65.0° | 179.8° |
C4' | C5' | C6' | H6'1 | 169.7° | 59.7° |
C4' | C5' | C6' | H6'2 | 60.3° | 60.3° |
H4' | C4' | O4' | HO4' | 60.7° | 59.8° |
H4' | C4' | C5' | O5' | 67.3° | 58.6° |
H4' | C4' | C5' | C6' | 51.5° | 61.4° |
H4' | C4' | C5' | H5' | 171.7° | 178.8° |
O5' | C5' | C6' | H5' | 121.0° | 119.8° |
O5' | C5' | C6' | O6' | 55.7° | 60.0° |
O5' | C5' | C6' | H6'1 | 69.6° | 180.0° |
O5' | C5' | C6' | H6'2 | 179.1° | 60.0° |
C5' | C6' | O6' | H6'1 | 125.3° | 120.0° |
C5' | C6' | O6' | H6'2 | 125.2° | 120.0° |
C5' | C6' | H6'1 | H6'2 | 117.8° | 120.0° |
C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
H5' | C5' | C6' | O6' | 176.7° | 59.9° |
H5' | C5' | C6' | H6'1 | 51.4° | 60.2° |
H5' | C5' | C6' | H6'2 | 58.0° | 179.8° |
O6' | C6' | H6'1 | H6'2 | 117.9° | 120.0° |
H6'1 | C6' | O6' | HO6' | 54.7° | 59.9° |
H6'2 | C6' | O6' | HO6' | 54.8° | 60.1° |