NZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| F1 | C8 | sing | 1.35Å | 1.36Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C9 | doub | 1.22Å | 1.24Å | |
| C5 | C9 | sing | 1.48Å | 1.50Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.41Å | |
| C9 | O3 | sing | 1.35Å | 1.25Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 119.0° | 120.2° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H3 | 119.7° | 120.0° |
| C6 | C7 | H4 | 120.5° | 119.9° |
| C7 | C8 | F1 | 119.7° | 119.9° |
| C7 | C8 | C3 | 122.0° | 120.2° |
| C8 | C7 | H4 | 120.5° | 119.9° |
| F1 | C8 | C3 | 118.3° | 119.9° |
| C6 | C5 | C9 | 120.6° | 120.1° |
| C6 | C5 | C4 | 119.8° | 119.8° |
| C5 | C6 | H3 | 119.7° | 120.0° |
| C8 | C3 | C4 | 118.5° | 120.0° |
| C8 | C3 | N1 | 120.7° | 119.9° |
| O2 | C9 | C5 | 118.0° | 120.0° |
| O2 | C9 | O3 | 124.2° | 120.0° |
| C9 | C5 | C4 | 119.6° | 120.1° |
| C5 | C9 | O3 | 117.8° | 120.0° |
| C5 | C4 | C3 | 120.2° | 119.8° |
| C5 | C4 | H2 | 119.9° | 120.1° |
| C4 | C3 | N1 | 120.8° | 120.0° |
| C3 | C4 | H2 | 119.9° | 120.1° |
| C3 | N1 | C2 | 125.4° | 120.0° |
| C3 | N1 | H1 | 117.3° | 120.0° |
| C9 | O3 | H8 | 109.5° | 117.0° |
| N1 | C2 | O1 | 122.1° | 120.0° |
| N1 | C2 | C1 | 116.0° | 120.0° |
| C2 | N1 | H1 | 117.3° | 120.0° |
| O1 | C2 | C1 | 121.9° | 120.0° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | F1 | 179.7° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.0° | 0.2° |
| C7 | C6 | C5 | C9 | 179.3° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C8 | F1 | C3 | 179.8° | 179.8° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C8 | C3 | C4 | 0.7° | 0.5° |
| C7 | C8 | C3 | N1 | 178.4° | 180.0° |
| C8 | C7 | C6 | H3 | 179.7° | 179.9° |
| F1 | C8 | C3 | C4 | 179.1° | 179.7° |
| F1 | C8 | C3 | N1 | 1.4° | 0.2° |
| F1 | C8 | C7 | H4 | 0.3° | 0.0° |
| C6 | C5 | C9 | O2 | 24.3° | 180.0° |
| C6 | C5 | C9 | C4 | 179.3° | 179.9° |
| C6 | C5 | C4 | C3 | 0.6° | 0.3° |
| C6 | C5 | C9 | O3 | 154.5° | 0.0° |
| C6 | C5 | C4 | H2 | 179.4° | 180.0° |
| C5 | C6 | C7 | H4 | 179.7° | 179.9° |
| C8 | C3 | C4 | C5 | 1.0° | 0.5° |
| C8 | C3 | C4 | N1 | 177.7° | 179.5° |
| C8 | C3 | N1 | C2 | 64.7° | 144.9° |
| C8 | C3 | N1 | H1 | 115.3° | 35.5° |
| C8 | C3 | C4 | H2 | 179.1° | 179.8° |
| C3 | C8 | C7 | H4 | 180.0° | 179.8° |
| O2 | C9 | C5 | O3 | 178.7° | 180.0° |
| O2 | C9 | C5 | C4 | 156.4° | 0.0° |
| O2 | C9 | O3 | H8 | 0.0° | 0.1° |
| C9 | C5 | C4 | C3 | 179.9° | 179.8° |
| C9 | C5 | C4 | H2 | 0.1° | 0.1° |
| C9 | C5 | C6 | H3 | 0.7° | 0.0° |
| C5 | C9 | O3 | H8 | 178.6° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | N1 | 178.6° | 180.0° |
| C4 | C5 | C9 | O3 | 24.9° | 180.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C3 | N1 | C2 | 112.9° | 34.6° |
| C4 | C3 | N1 | H1 | 67.1° | 145.0° |
| C3 | N1 | C2 | H1 | 180.0° | 179.6° |
| C3 | N1 | C2 | O1 | 2.4° | 4.2° |
| C3 | N1 | C2 | C1 | 178.4° | 175.9° |
| N1 | C3 | C4 | H2 | 1.4° | 0.3° |
| N1 | C2 | O1 | C1 | 179.1° | 179.9° |
| N1 | C2 | C1 | H5 | 179.2° | 0.0° |
| N1 | C2 | C1 | H6 | 60.8° | 120.0° |
| N1 | C2 | C1 | H7 | 59.2° | 120.0° |
| O1 | C2 | N1 | H1 | 177.5° | 175.4° |
| O1 | C2 | C1 | H5 | 0.0° | 179.9° |
| O1 | C2 | C1 | H6 | 120.0° | 59.9° |
| O1 | C2 | C1 | H7 | 120.0° | 60.1° |
| C1 | C2 | N1 | H1 | 1.7° | 4.5° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| H3 | C6 | C7 | H4 | 0.3° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
