MAE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 0.00Å | 1.26Å | |
C1 | O2 | sing | 0.00Å | 1.26Å | |
C1 | C2 | sing | 0.00Å | 1.50Å | |
O2 | HO2 | sing | 0.00Å | 0.95Å | |
C2 | C3 | doub | 0.00Å | 1.33Å | |
C2 | H2 | sing | 0.00Å | 1.10Å | |
C3 | C4 | sing | 0.00Å | 1.51Å | |
C3 | H3 | sing | 0.00Å | 1.10Å | |
C4 | O3 | doub | 0.00Å | 1.26Å | |
C4 | O4 | sing | 0.00Å | 1.28Å | |
O4 | HO4 | sing | 0.00Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2 | 122.8° | 90.0° |
O1 | C1 | C2 | 117.4° | 90.0° |
O2 | C1 | C2 | 119.8° | 90.0° |
C1 | O2 | HO2 | 122.8° | 90.0° |
C1 | C2 | C3 | 129.6° | 90.0° |
C1 | C2 | H2 | 122.4° | 90.0° |
C3 | C2 | H2 | 108.0° | 90.0° |
C2 | C3 | C4 | 128.5° | 90.0° |
C2 | C3 | H3 | 108.4° | 90.0° |
C4 | C3 | H3 | 123.1° | 90.0° |
C3 | C4 | O3 | 117.6° | 90.0° |
C3 | C4 | O4 | 120.7° | 90.0° |
O3 | C4 | O4 | 121.7° | 90.0° |
C4 | O4 | HO4 | 120.6° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2 | C2 | 179.8° | 90.0° |
O1 | C1 | O2 | HO2 | 180.0° | 90.0° |
O1 | C1 | C2 | C3 | 77.7° | 90.0° |
O1 | C1 | C2 | H2 | 102.3° | 90.0° |
O2 | C1 | C2 | C3 | 102.0° | 90.0° |
O2 | C1 | C2 | H2 | 77.9° | 90.0° |
C2 | C1 | O2 | HO2 | 0.2° | 90.0° |
C1 | C2 | C3 | H2 | 180.0° | 90.0° |
C1 | C2 | C3 | C4 | 0.8° | 90.0° |
C1 | C2 | C3 | H3 | 179.1° | 90.0° |
C2 | C3 | C4 | H3 | 179.9° | 90.0° |
C2 | C3 | C4 | O3 | 166.9° | 90.0° |
C2 | C3 | C4 | O4 | 13.7° | 90.0° |
H2 | C2 | C3 | C4 | 179.2° | 90.0° |
H2 | C2 | C3 | H3 | 0.9° | 90.0° |
C3 | C4 | O3 | O4 | 179.3° | 90.0° |
C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
H3 | C3 | C4 | O3 | 13.0° | 90.0° |
H3 | C3 | C4 | O4 | 166.4° | 90.0° |
O3 | C4 | O4 | HO4 | 0.7° | 90.0° |