GAG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C2 | sing | 1.36Å | 1.29Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.47Å | 1.48Å | Aromatic |
| C2 | N3 | doub | 1.30Å | 1.34Å | Aromatic |
| C1 | COO | sing | 1.47Å | 1.48Å | |
| C1 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| COO | O12 | sing | 1.35Å | 1.22Å | |
| COO | O11 | doub | 1.22Å | 1.22Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C5 | O4 | sing | 1.33Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| O4 | N3 | sing | 1.21Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O20 | H20 | 126.0° | 106.8° |
| O20 | C2 | C1 | 126.0° | 127.4° |
| O20 | C2 | N3 | 125.7° | 127.4° |
| C1 | C2 | N3 | 108.3° | 105.2° |
| C2 | C1 | COO | 127.6° | 128.7° |
| C2 | C1 | C5 | 105.2° | 102.8° |
| C2 | N3 | O4 | 108.5° | 112.2° |
| COO | C1 | C5 | 127.2° | 128.5° |
| C1 | COO | O12 | 122.1° | 120.1° |
| C1 | COO | O11 | 116.3° | 119.9° |
| C1 | C5 | O4 | 108.4° | 106.4° |
| C1 | C5 | H5 | 126.0° | 126.8° |
| O12 | COO | O11 | 121.6° | 120.0° |
| COO | O12 | H12 | 122.1° | 120.0° |
| O4 | C5 | H5 | 125.6° | 126.8° |
| C5 | O4 | N3 | 109.6° | 113.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C2 | C1 | N3 | 180.0° | 179.5° |
| O20 | C2 | C1 | COO | 0.3° | 0.3° |
| O20 | C2 | C1 | C5 | 179.8° | 179.9° |
| O20 | C2 | N3 | O4 | 179.2° | 179.9° |
| H20 | O20 | C2 | C1 | 179.9° | 90.5° |
| H20 | O20 | C2 | N3 | 0.0° | 90.0° |
| C2 | C1 | COO | C5 | 179.9° | 179.8° |
| C2 | C1 | COO | O12 | 13.7° | 179.7° |
| C2 | C1 | COO | O11 | 167.0° | 0.2° |
| C2 | C1 | C5 | O4 | 1.1° | 0.2° |
| C2 | C1 | C5 | H5 | 178.9° | 179.7° |
| C1 | C2 | N3 | O4 | 0.9° | 0.4° |
| N3 | C2 | C1 | COO | 179.8° | 179.8° |
| N3 | C2 | C1 | C5 | 0.1° | 0.3° |
| C2 | N3 | O4 | C5 | 1.6° | 0.3° |
| C1 | COO | O12 | O11 | 179.3° | 179.9° |
| C1 | COO | O12 | H12 | 179.9° | 180.0° |
| COO | C1 | C5 | O4 | 178.8° | 180.0° |
| COO | C1 | C5 | H5 | 1.2° | 0.1° |
| C5 | C1 | COO | O12 | 166.4° | 0.1° |
| C5 | C1 | COO | O11 | 12.9° | 180.0° |
| C1 | C5 | O4 | H5 | 180.0° | 179.9° |
| C1 | C5 | O4 | N3 | 1.7° | 0.1° |
| O11 | COO | O12 | H12 | 0.7° | 0.1° |
| H5 | C5 | O4 | N3 | 178.3° | 180.0° |
