A1EFP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C6 | doub | 1.22Å | 1.22Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.35Å | |
| C6 | O2 | sing | 1.35Å | 1.22Å | |
| C6 | C3 | sing | 1.41Å | 1.48Å | |
| C2 | C3 | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C5 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| S1 | C4 | sing | 1.71Å | 1.72Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C6 | O2 | 124.6° | 119.9° |
| O3 | C6 | C3 | 118.2° | 120.1° |
| C1 | O1 | C2 | 116.0° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| O1 | C2 | C3 | 120.7° | 123.4° |
| O1 | C2 | C5 | 126.7° | 123.5° |
| O2 | C6 | C3 | 117.2° | 120.0° |
| C6 | O2 | H6 | 109.5° | 114.0° |
| C6 | C3 | C2 | 130.1° | 125.5° |
| C6 | C3 | S1 | 119.1° | 125.5° |
| C3 | C2 | C5 | 112.6° | 113.1° |
| C2 | C3 | S1 | 110.9° | 109.0° |
| C2 | C5 | C4 | 112.0° | 115.1° |
| C2 | C5 | H5 | 124.0° | 122.5° |
| C3 | S1 | C4 | 91.3° | 91.7° |
| C5 | C4 | S1 | 112.7° | 111.2° |
| C5 | C4 | H4 | 123.6° | 124.4° |
| C4 | C5 | H5 | 124.0° | 122.5° |
| S1 | C4 | H4 | 123.6° | 124.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C6 | O2 | C3 | 179.1° | 179.9° |
| O3 | C6 | C3 | C2 | 12.3° | 0.1° |
| O3 | C6 | C3 | S1 | 168.2° | 179.7° |
| O3 | C6 | O2 | H6 | 0.0° | 0.1° |
| C1 | O1 | C2 | C3 | 174.0° | 180.0° |
| C1 | O1 | C2 | C5 | 4.1° | 0.4° |
| O1 | C1 | H1 | H2 | 120.0° | 119.9° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C6 | 5.5° | 0.3° |
| O1 | C2 | C3 | C5 | 178.4° | 179.7° |
| O1 | C2 | C3 | S1 | 174.9° | 180.0° |
| O1 | C2 | C5 | C4 | 174.5° | 179.7° |
| O1 | C2 | C5 | H5 | 5.4° | 0.3° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 59.9° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O2 | C6 | C3 | C2 | 168.6° | 179.9° |
| O2 | C6 | C3 | S1 | 10.9° | 0.2° |
| C6 | C3 | C2 | S1 | 179.5° | 179.8° |
| C6 | C3 | C2 | C5 | 172.8° | 179.9° |
| C6 | C3 | S1 | C4 | 176.0° | 179.9° |
| C3 | C6 | O2 | H6 | 179.1° | 180.0° |
| C3 | C2 | C5 | C4 | 7.2° | 0.0° |
| C2 | C3 | S1 | C4 | 3.6° | 0.4° |
| C3 | C2 | C5 | H5 | 172.8° | 180.0° |
| C5 | C2 | C3 | S1 | 6.7° | 0.3° |
| C2 | C5 | C4 | H5 | 180.0° | 180.0° |
| C2 | C5 | C4 | S1 | 4.4° | 0.3° |
| C2 | C5 | C4 | H4 | 175.6° | 179.9° |
| C3 | S1 | C4 | C5 | 0.6° | 0.4° |
| C3 | S1 | C4 | H4 | 179.4° | 180.0° |
| C5 | C4 | S1 | H4 | 180.0° | 179.7° |
| S1 | C4 | C5 | H5 | 175.6° | 179.7° |
| H4 | C4 | C5 | H5 | 4.4° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
