UUG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | O | sing | 1.43Å | 1.40Å | |
C5 | O1 | sing | 1.43Å | 1.39Å | |
C5 | C4 | sing | 1.51Å | 1.50Å | |
O | C2 | sing | 1.36Å | 1.37Å | |
C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
C1 | C | doub | 1.38Å | 1.37Å | Aromatic |
C7 | C | sing | 1.38Å | 1.39Å | Aromatic |
C | BR | sing | 1.89Å | 1.94Å | |
C5 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C1 | H5 | sing | 1.08Å | 1.08Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
O1 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | O | C2 | 114.1° | 117.0° |
O | C3 | H6 | 109.5° | 109.5° |
O | C3 | H7 | 109.4° | 109.5° |
O | C3 | H8 | 109.5° | 109.5° |
O1 | C5 | C4 | 113.1° | 109.5° |
O1 | C5 | H1 | 108.5° | 109.4° |
O1 | C5 | H2 | 108.5° | 109.5° |
C5 | O1 | H9 | 109.5° | 114.1° |
C5 | C4 | C2 | 122.1° | 120.0° |
C5 | C4 | C6 | 118.7° | 120.0° |
C4 | C5 | H1 | 108.5° | 109.5° |
C4 | C5 | H2 | 108.6° | 109.5° |
O | C2 | C4 | 118.4° | 120.0° |
O | C2 | C1 | 119.6° | 120.1° |
C2 | C4 | C6 | 119.2° | 120.0° |
C4 | C2 | C1 | 122.0° | 119.9° |
C4 | C6 | C7 | 120.1° | 120.1° |
C4 | C6 | H3 | 119.9° | 120.0° |
C2 | C1 | C | 116.3° | 119.9° |
C2 | C1 | H5 | 121.8° | 120.0° |
C6 | C7 | C | 118.4° | 120.1° |
C7 | C6 | H3 | 120.0° | 120.0° |
C6 | C7 | H4 | 120.8° | 119.9° |
C1 | C | C7 | 123.8° | 120.1° |
C1 | C | BR | 117.7° | 120.0° |
C | C1 | H5 | 121.8° | 120.1° |
C7 | C | BR | 118.2° | 120.0° |
C | C7 | H4 | 120.8° | 120.0° |
H1 | C5 | H2 | 109.5° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
H6 | C3 | H8 | 109.5° | 109.5° |
H7 | C3 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | O | C2 | C4 | 126.9° | 180.0° |
C3 | O | C2 | C1 | 52.8° | 0.0° |
O | C3 | H6 | H7 | 120.0° | 120.0° |
O | C3 | H6 | H8 | 120.0° | 120.0° |
O | C3 | H7 | H8 | 120.0° | 120.0° |
O1 | C5 | C4 | H1 | 120.5° | 120.0° |
O1 | C5 | C4 | H2 | 120.5° | 120.0° |
O1 | C5 | C4 | C2 | 77.4° | 180.0° |
O1 | C5 | C4 | C6 | 103.0° | 0.3° |
O1 | C5 | H1 | H2 | 118.3° | 120.0° |
C5 | C4 | C2 | O | 1.9° | 0.3° |
C5 | C4 | C2 | C6 | 179.6° | 179.7° |
C5 | C4 | C2 | C1 | 178.4° | 179.8° |
C5 | C4 | C6 | C7 | 180.0° | 179.7° |
C4 | C5 | H1 | H2 | 118.3° | 120.0° |
C5 | C4 | C6 | H3 | 0.0° | 0.3° |
C4 | C5 | O1 | H9 | 180.0° | 180.0° |
O | C2 | C4 | C1 | 179.7° | 180.0° |
O | C2 | C4 | C6 | 177.6° | 180.0° |
O | C2 | C1 | C | 178.9° | 180.0° |
O | C2 | C1 | H5 | 1.1° | 0.1° |
C2 | O | C3 | H6 | 180.0° | 60.0° |
C2 | O | C3 | H7 | 60.0° | 60.0° |
C2 | O | C3 | H8 | 60.0° | 180.0° |
C2 | C4 | C6 | C7 | 0.4° | 0.0° |
C4 | C2 | C1 | C | 0.8° | 0.1° |
C2 | C4 | C5 | H1 | 43.1° | 60.0° |
C2 | C4 | C5 | H2 | 162.1° | 60.0° |
C2 | C4 | C6 | H3 | 179.6° | 180.0° |
C4 | C2 | C1 | H5 | 179.2° | 180.0° |
C6 | C4 | C2 | C1 | 2.1° | 0.0° |
C4 | C6 | C7 | H3 | 180.0° | 180.0° |
C4 | C6 | C7 | C | 2.4° | 0.0° |
C6 | C4 | C5 | H1 | 136.4° | 120.2° |
C6 | C4 | C5 | H2 | 17.5° | 119.7° |
C4 | C6 | C7 | H4 | 177.6° | 179.9° |
C2 | C1 | C | H5 | 180.0° | 179.9° |
C2 | C1 | C | C7 | 2.2° | 0.1° |
C2 | C1 | C | BR | 171.2° | 180.0° |
C6 | C7 | C | C1 | 3.9° | 0.0° |
C6 | C7 | C | H4 | 180.0° | 179.9° |
C6 | C7 | C | BR | 169.6° | 180.0° |
C1 | C | C7 | BR | 173.5° | 179.9° |
C1 | C | C7 | H4 | 176.1° | 179.9° |
C | C7 | C6 | H3 | 177.6° | 180.0° |
C7 | C | C1 | H5 | 177.7° | 180.0° |
BR | C | C7 | H4 | 10.4° | 0.0° |
BR | C | C1 | H5 | 8.8° | 0.1° |
H1 | C5 | O1 | H9 | 59.5° | 60.0° |
H2 | C5 | O1 | H9 | 59.5° | 60.0° |
H3 | C6 | C7 | H4 | 2.4° | 0.0° |
H6 | C3 | H7 | H8 | 120.0° | 120.0° |