1L5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N | doub | 1.22Å | 1.22Å | |
| N | O | doub | 1.22Å | 1.40Å | |
| N | C8 | sing | 1.48Å | 1.27Å | |
| C8 | C1 | doub | 1.33Å | 1.33Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N | O | 117.1° | 120.0° |
| O1 | N | C8 | 117.4° | 120.0° |
| O | N | C8 | 125.4° | 120.0° |
| N | C8 | C1 | 125.4° | 120.0° |
| N | C8 | H6 | 117.3° | 120.0° |
| C8 | C1 | C | 119.9° | 120.0° |
| C8 | C1 | C2 | 117.9° | 120.0° |
| C1 | C8 | H6 | 117.3° | 120.0° |
| C4 | C3 | C2 | 121.2° | 119.8° |
| C3 | C4 | C5 | 119.9° | 120.2° |
| C4 | C3 | H1 | 119.4° | 120.1° |
| C3 | C4 | H2 | 120.0° | 119.9° |
| C3 | C2 | C1 | 119.7° | 120.1° |
| C3 | C2 | C7 | 118.7° | 119.7° |
| C2 | C3 | H1 | 119.4° | 120.1° |
| C | C1 | C2 | 122.3° | 120.0° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C2 | C7 | 121.6° | 120.1° |
| C4 | C5 | C6 | 118.8° | 120.3° |
| C5 | C4 | H2 | 120.0° | 119.9° |
| C4 | C5 | H3 | 120.6° | 119.9° |
| C2 | C7 | C6 | 120.0° | 119.8° |
| C2 | C7 | H5 | 120.0° | 120.1° |
| C5 | C6 | C7 | 121.3° | 120.2° |
| C6 | C5 | H3 | 120.6° | 119.8° |
| C5 | C6 | H4 | 119.4° | 119.9° |
| C7 | C6 | H4 | 119.3° | 119.9° |
| C6 | C7 | H5 | 120.0° | 120.1° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N | O | C8 | 178.6° | 180.0° |
| O1 | N | C8 | C1 | 133.0° | 5.3° |
| O1 | N | C8 | H6 | 47.0° | 174.7° |
| O | N | C8 | C1 | 48.5° | 174.7° |
| O | N | C8 | H6 | 131.5° | 5.3° |
| N | C8 | C1 | H6 | 180.0° | 179.9° |
| N | C8 | C1 | C | 2.9° | 7.1° |
| N | C8 | C1 | C2 | 177.9° | 173.2° |
| C8 | C1 | C2 | C3 | 16.6° | 114.5° |
| C8 | C1 | C | C2 | 179.2° | 179.8° |
| C8 | C1 | C2 | C7 | 164.7° | 65.2° |
| C8 | C1 | C | H7 | 180.0° | 84.4° |
| C8 | C1 | C | H8 | 60.0° | 35.6° |
| C8 | C1 | C | H9 | 60.0° | 155.5° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.2° | 0.2° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C3 | C2 | C1 | C | 164.3° | 65.3° |
| C3 | C2 | C1 | C7 | 178.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C3 | C2 | C7 | C6 | 1.1° | 0.5° |
| C2 | C3 | C4 | H2 | 179.3° | 180.0° |
| C3 | C2 | C7 | H5 | 178.9° | 179.7° |
| C | C1 | C2 | C7 | 14.5° | 115.0° |
| C | C1 | C8 | H6 | 177.2° | 172.9° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.7° |
| C1 | C2 | C3 | H1 | 0.0° | 0.0° |
| C1 | C2 | C7 | H5 | 0.1° | 0.0° |
| C2 | C1 | C8 | H6 | 2.0° | 6.9° |
| C2 | C1 | C | H7 | 0.8° | 95.8° |
| C2 | C1 | C | H8 | 120.8° | 144.2° |
| C2 | C1 | C | H9 | 119.2° | 24.2° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.2° |
| C5 | C4 | C3 | H1 | 179.3° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.6° | 0.5° |
| C2 | C7 | C6 | H5 | 180.0° | 179.7° |
| C7 | C2 | C3 | H1 | 178.8° | 179.7° |
| C2 | C7 | C6 | H4 | 179.4° | 179.7° |
| C5 | C6 | C7 | H4 | 180.0° | 179.8° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C5 | C6 | C7 | H5 | 179.4° | 179.7° |
| C7 | C6 | C5 | H3 | 180.0° | 179.7° |
| H1 | C3 | C4 | H2 | 0.7° | 0.0° |
| H2 | C4 | C5 | H3 | 0.1° | 0.1° |
| H3 | C5 | C6 | H4 | 0.0° | 0.1° |
| H4 | C6 | C7 | H5 | 0.6° | 0.1° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
