A1LUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | doub | 1.22Å | 1.21Å | |
| C5 | O2 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.47Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.34Å | |
| C4 | C3 | doub | 1.36Å | 1.56Å | |
| C1 | C3 | sing | 1.48Å | 1.52Å | |
| C1 | N | sing | 1.32Å | 1.28Å | |
| C3 | S | sing | 1.77Å | 1.83Å | |
| N | C2 | sing | 1.34Å | 1.35Å | |
| S | C2 | sing | 1.77Å | 1.78Å | |
| C2 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | O2 | 118.1° | 120.0° |
| O3 | C5 | C4 | 118.7° | 120.0° |
| O2 | C5 | C4 | 123.2° | 120.0° |
| C5 | O2 | H5 | 109.5° | 117.1° |
| C5 | C4 | C3 | 115.0° | 120.0° |
| C5 | C4 | H1 | 122.5° | 120.0° |
| O1 | C1 | C3 | 124.9° | 122.7° |
| O1 | C1 | N | 125.4° | 122.7° |
| C4 | C3 | C1 | 122.5° | 128.0° |
| C4 | C3 | S | 129.1° | 128.0° |
| C3 | C4 | H1 | 122.5° | 120.0° |
| C3 | C1 | N | 109.1° | 114.6° |
| C1 | C3 | S | 105.4° | 103.9° |
| C1 | N | C2 | 122.5° | 119.7° |
| C1 | N | H3 | 118.7° | 120.2° |
| C3 | S | C2 | 88.9° | 94.7° |
| N | C2 | S | 108.2° | 107.2° |
| N | C2 | O4 | 126.0° | 126.5° |
| C2 | N | H3 | 118.7° | 120.2° |
| S | C2 | O4 | 125.5° | 126.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | O2 | C4 | 179.8° | 180.0° |
| O3 | C5 | C4 | C3 | 162.5° | 0.0° |
| O3 | C5 | C4 | H1 | 17.5° | 179.7° |
| O3 | C5 | O2 | H5 | 0.0° | 0.0° |
| O2 | C5 | C4 | C3 | 17.7° | 180.0° |
| O2 | C5 | C4 | H1 | 162.3° | 0.3° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C1 | 128.9° | 179.7° |
| C5 | C4 | C3 | S | 28.2° | 0.3° |
| C4 | C5 | O2 | H5 | 179.8° | 180.0° |
| O1 | C1 | C3 | C4 | 4.7° | 0.3° |
| O1 | C1 | C3 | N | 171.6° | 179.8° |
| O1 | C1 | C3 | S | 166.5° | 179.7° |
| O1 | C1 | N | C2 | 178.7° | 179.7° |
| O1 | C1 | N | H3 | 1.3° | 0.3° |
| C4 | C3 | C1 | S | 161.8° | 180.0° |
| C4 | C3 | C1 | N | 176.4° | 180.0° |
| C4 | C3 | S | C2 | 178.0° | 180.0° |
| C3 | C1 | N | C2 | 9.7° | 0.1° |
| C1 | C3 | S | C2 | 21.8° | 0.0° |
| C1 | C3 | C4 | H1 | 51.1° | 0.0° |
| C3 | C1 | N | H3 | 170.3° | 180.0° |
| N | C1 | C3 | S | 21.9° | 0.0° |
| C1 | N | C2 | H3 | 180.0° | 179.9° |
| C1 | N | C2 | S | 8.1° | 0.1° |
| C1 | N | C2 | O4 | 177.6° | 180.0° |
| C3 | S | C2 | N | 17.8° | 0.0° |
| C3 | S | C2 | O4 | 167.9° | 179.9° |
| S | C3 | C4 | H1 | 151.8° | 180.0° |
| N | C2 | S | O4 | 174.4° | 179.9° |
| S | C2 | N | H3 | 171.9° | 180.0° |
| O4 | C2 | N | H3 | 2.4° | 0.1° |
