6LZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.44Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| C5 | F | sing | 1.35Å | 1.36Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| N | H8 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 109.6° | 109.5° |
| N | C | H5 | 109.4° | 109.5° |
| N | C | H6 | 109.4° | 109.5° |
| C | N | H7 | 109.5° | 111.0° |
| C | N | H8 | 109.5° | 111.0° |
| C | C1 | O | 120.4° | 120.0° |
| C | C1 | C2 | 118.2° | 120.0° |
| C1 | C | H5 | 109.4° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| O | C1 | C2 | 121.3° | 120.0° |
| C1 | C2 | C7 | 120.7° | 120.1° |
| C1 | C2 | C3 | 120.3° | 120.2° |
| C7 | C2 | C3 | 118.8° | 119.7° |
| C2 | C7 | C6 | 120.8° | 119.9° |
| C2 | C7 | H3 | 119.6° | 120.1° |
| C2 | C3 | C4 | 120.9° | 119.9° |
| C2 | C3 | H4 | 119.5° | 120.0° |
| C7 | C6 | C5 | 118.2° | 120.1° |
| C7 | C6 | H2 | 120.9° | 120.0° |
| C6 | C7 | H3 | 119.6° | 120.0° |
| C3 | C4 | C5 | 118.1° | 120.2° |
| C3 | C4 | H1 | 120.9° | 119.9° |
| C4 | C3 | H4 | 119.5° | 120.1° |
| C6 | C5 | C4 | 123.2° | 120.3° |
| C6 | C5 | F | 118.5° | 119.9° |
| C5 | C6 | H2 | 120.9° | 119.9° |
| C4 | C5 | F | 118.3° | 119.9° |
| C5 | C4 | H1 | 120.9° | 119.9° |
| H5 | C | H6 | 109.5° | 109.4° |
| H7 | N | H8 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | H5 | 120.0° | 120.0° |
| N | C | C1 | H6 | 120.0° | 120.0° |
| N | C | C1 | O | 15.5° | 0.0° |
| N | C | C1 | C2 | 161.9° | 180.0° |
| N | C | H5 | H6 | 119.9° | 120.0° |
| C | N | H7 | H8 | 120.0° | 124.0° |
| C | C1 | O | C2 | 177.3° | 180.0° |
| C | C1 | C2 | C7 | 11.8° | 180.0° |
| C | C1 | C2 | C3 | 172.7° | 0.2° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C1 | C | N | H7 | 180.0° | 56.0° |
| C1 | C | N | H8 | 60.0° | 179.9° |
| O | C1 | C2 | C7 | 170.8° | 0.0° |
| O | C1 | C2 | C3 | 4.6° | 179.8° |
| O | C1 | C | H5 | 135.5° | 120.0° |
| O | C1 | C | H6 | 104.5° | 120.0° |
| C1 | C2 | C7 | C3 | 175.5° | 179.8° |
| C1 | C2 | C7 | C6 | 174.2° | 180.0° |
| C1 | C2 | C3 | C4 | 174.4° | 179.7° |
| C1 | C2 | C7 | H3 | 5.8° | 0.0° |
| C1 | C2 | C3 | H4 | 5.6° | 0.2° |
| C2 | C1 | C | H5 | 41.9° | 60.0° |
| C2 | C1 | C | H6 | 78.1° | 60.0° |
| C2 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 1.1° | 0.5° |
| C2 | C7 | C6 | C5 | 0.1° | 0.1° |
| C2 | C7 | C6 | H2 | 179.9° | 180.0° |
| C7 | C2 | C3 | H4 | 178.9° | 180.0° |
| C3 | C2 | C7 | C6 | 1.3° | 0.2° |
| C2 | C3 | C4 | H4 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C2 | C3 | C4 | H1 | 179.6° | 179.8° |
| C3 | C2 | C7 | H3 | 178.7° | 179.8° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 1.5° | 0.0° |
| C7 | C6 | C5 | F | 176.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.7° | 0.2° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | F | 175.8° | 179.7° |
| C6 | C5 | C4 | F | 177.5° | 179.9° |
| C6 | C5 | C4 | H1 | 178.3° | 179.9° |
| C5 | C6 | C7 | H3 | 179.9° | 179.9° |
| C4 | C5 | C6 | H2 | 178.6° | 180.0° |
| C5 | C4 | C3 | H4 | 179.7° | 180.0° |
| F | C5 | C4 | H1 | 4.2° | 0.0° |
| F | C5 | C6 | H2 | 4.0° | 0.1° |
| H1 | C4 | C3 | H4 | 0.3° | 0.4° |
| H2 | C6 | C7 | H3 | 0.1° | 0.0° |
| H5 | C | N | H7 | 60.0° | 64.0° |
| H5 | C | N | H8 | 60.0° | 60.0° |
| H6 | C | N | H7 | 59.9° | 176.0° |
| H6 | C | N | H8 | 180.0° | 59.9° |
