ANX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.43Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | N2 | sing | 1.42Å | 1.52Å | |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | O21 | sing | 1.25Å | 1.22Å | |
| N2 | O22 | doub | 1.25Å | 1.22Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | O41 | sing | 1.25Å | 1.45Å | |
| N1 | O42 | doub | 1.25Å | 1.45Å | |
| N1 | C5 | sing | 1.42Å | 1.50Å | |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | H5 | 122.5° | 110.1° |
| O1 | C1 | C2 | 122.4° | 121.1° |
| O1 | C1 | C6 | 117.8° | 118.9° |
| C2 | C1 | C6 | 118.5° | 120.0° |
| C1 | C2 | N2 | 128.6° | 120.8° |
| C1 | C2 | C3 | 119.1° | 120.0° |
| C1 | C6 | C5 | 121.3° | 120.0° |
| C1 | C6 | H6 | 119.4° | 119.6° |
| N2 | C2 | C3 | 112.2° | 119.2° |
| C2 | N2 | O21 | 121.2° | 118.9° |
| C2 | N2 | O22 | 121.3° | 118.9° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | H3 | 119.3° | 120.8° |
| O21 | N2 | O22 | 117.5° | 122.2° |
| C4 | C3 | H3 | 119.3° | 119.2° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C3 | C4 | H4 | 119.8° | 119.3° |
| C5 | C4 | H4 | 119.8° | 120.7° |
| C4 | C5 | N1 | 120.9° | 120.0° |
| C4 | C5 | C6 | 118.6° | 120.0° |
| O41 | N1 | O42 | 122.5° | 122.0° |
| O41 | N1 | C5 | 123.2° | 119.0° |
| O42 | N1 | C5 | 114.2° | 119.0° |
| N1 | C5 | C6 | 119.7° | 120.0° |
| C5 | C6 | H6 | 119.4° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 167.0° | 180.0° |
| O1 | C1 | C2 | N2 | 15.7° | 0.0° |
| O1 | C1 | C2 | C3 | 162.5° | 180.0° |
| O1 | C1 | C6 | C5 | 159.5° | 180.0° |
| O1 | C1 | C6 | H6 | 20.6° | 0.1° |
| H5 | O1 | C1 | C2 | 180.0° | 12.0° |
| H5 | O1 | C1 | C6 | 12.8° | 168.0° |
| C1 | C2 | N2 | C3 | 178.3° | 180.0° |
| C1 | C2 | N2 | O21 | 4.6° | 180.0° |
| C1 | C2 | N2 | O22 | 176.1° | 0.0° |
| C1 | C2 | C3 | C4 | 2.8° | 0.0° |
| C1 | C2 | C3 | H3 | 177.2° | 179.9° |
| C2 | C1 | C6 | C5 | 8.2° | 0.0° |
| C2 | C1 | C6 | H6 | 171.8° | 179.9° |
| C6 | C1 | C2 | N2 | 177.3° | 180.0° |
| C6 | C1 | C2 | C3 | 4.6° | 0.0° |
| C1 | C6 | C5 | C4 | 9.8° | 0.0° |
| C1 | C6 | C5 | N1 | 179.1° | 179.9° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C2 | N2 | O21 | O22 | 179.4° | 180.0° |
| N2 | C2 | C3 | C4 | 178.7° | 180.0° |
| N2 | C2 | C3 | H3 | 1.3° | 0.2° |
| C3 | C2 | N2 | O21 | 177.2° | 0.0° |
| C3 | C2 | N2 | O22 | 2.2° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 4.6° | 0.0° |
| C2 | C3 | C4 | H4 | 175.5° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | N1 | 177.0° | 179.9° |
| C3 | C4 | C5 | C6 | 7.9° | 0.0° |
| H3 | C3 | C4 | C5 | 175.4° | 179.9° |
| H3 | C3 | C4 | H4 | 4.6° | 0.0° |
| C4 | C5 | N1 | O41 | 90.1° | 0.0° |
| C4 | C5 | N1 | O42 | 89.5° | 179.9° |
| C4 | C5 | N1 | C6 | 169.0° | 179.9° |
| C4 | C5 | C6 | H6 | 170.1° | 179.9° |
| H4 | C4 | C5 | N1 | 3.0° | 0.0° |
| H4 | C4 | C5 | C6 | 172.1° | 179.8° |
| O41 | N1 | O42 | C5 | 179.7° | 179.9° |
| O41 | N1 | C5 | C6 | 100.8° | 179.9° |
| O42 | N1 | C5 | C6 | 79.5° | 0.2° |
| N1 | C5 | C6 | H6 | 0.9° | 0.1° |
