6LR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C5 | N4 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N4 | C3 | sing | 1.47Å | 1.46Å | |
| N4 | H1 | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C6 | C5 | 112.8° | 109.2° |
| C6 | O1 | C2 | 115.3° | 113.8° |
| O1 | C6 | H9 | 108.6° | 109.5° |
| O1 | C6 | H10 | 108.6° | 109.5° |
| C6 | C5 | N4 | 108.4° | 109.3° |
| C6 | C5 | H7 | 109.7° | 109.5° |
| C6 | C5 | H8 | 109.7° | 109.6° |
| C5 | C6 | H9 | 108.6° | 109.5° |
| C5 | C6 | H10 | 108.6° | 109.5° |
| O1 | C2 | C3 | 110.0° | 109.2° |
| O1 | C2 | H5 | 109.4° | 109.4° |
| O1 | C2 | H6 | 109.3° | 109.5° |
| C5 | N4 | C3 | 120.0° | 110.7° |
| C5 | N4 | H1 | 106.7° | 111.0° |
| N4 | C5 | H7 | 109.7° | 109.5° |
| N4 | C5 | H8 | 109.7° | 109.5° |
| C2 | C3 | N4 | 106.0° | 109.3° |
| C2 | C3 | H3 | 110.3° | 109.6° |
| C2 | C3 | H4 | 110.3° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.5° |
| C3 | C2 | H6 | 109.3° | 109.5° |
| C3 | N4 | H1 | 106.8° | 111.0° |
| N4 | C3 | H3 | 110.4° | 109.5° |
| N4 | C3 | H4 | 110.3° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.6° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | C5 | H9 | 120.5° | 119.9° |
| O1 | C6 | C5 | H10 | 120.5° | 119.9° |
| O1 | C6 | C5 | N4 | 42.9° | 56.9° |
| C6 | O1 | C2 | C3 | 59.7° | 58.7° |
| C6 | O1 | C2 | H5 | 60.4° | 178.6° |
| C6 | O1 | C2 | H6 | 179.8° | 61.3° |
| O1 | C6 | C5 | H7 | 76.9° | 176.8° |
| O1 | C6 | C5 | H8 | 162.8° | 63.1° |
| O1 | C6 | H9 | H10 | 118.5° | 120.1° |
| C5 | C6 | O1 | C2 | 52.8° | 58.7° |
| C6 | C5 | N4 | H7 | 119.8° | 119.9° |
| C6 | C5 | N4 | H8 | 119.8° | 120.0° |
| C6 | C5 | N4 | C3 | 48.6° | 58.6° |
| C6 | C5 | N4 | H1 | 170.1° | 177.6° |
| C6 | C5 | H7 | H8 | 120.5° | 120.2° |
| C5 | C6 | H9 | H10 | 118.5° | 120.1° |
| O1 | C2 | C3 | H5 | 120.1° | 119.9° |
| O1 | C2 | C3 | H6 | 120.1° | 119.9° |
| O1 | C2 | C3 | N4 | 56.2° | 56.9° |
| O1 | C2 | C3 | H3 | 175.7° | 63.1° |
| O1 | C2 | C3 | H4 | 63.3° | 176.8° |
| O1 | C2 | H5 | H6 | 119.7° | 120.1° |
| C2 | O1 | C6 | H9 | 173.3° | 61.3° |
| C2 | O1 | C6 | H10 | 67.7° | 178.6° |
| C5 | N4 | C3 | C2 | 55.2° | 58.7° |
| C5 | N4 | C3 | H1 | 121.5° | 123.8° |
| C5 | N4 | C3 | H3 | 174.7° | 61.3° |
| C5 | N4 | C3 | H4 | 64.3° | 178.6° |
| N4 | C5 | H7 | H8 | 120.5° | 120.1° |
| N4 | C5 | C6 | H9 | 163.4° | 63.1° |
| N4 | C5 | C6 | H10 | 77.5° | 176.8° |
| C2 | C3 | N4 | H3 | 119.5° | 120.0° |
| C2 | C3 | N4 | H4 | 119.5° | 119.9° |
| C2 | C3 | N4 | H1 | 176.7° | 177.6° |
| C2 | C3 | H3 | H4 | 121.6° | 120.2° |
| C3 | C2 | H5 | H6 | 119.7° | 120.2° |
| N4 | C3 | H3 | H4 | 121.6° | 120.0° |
| N4 | C3 | C2 | H5 | 63.9° | 176.7° |
| N4 | C3 | C2 | H6 | 176.2° | 63.1° |
| C3 | N4 | C5 | H7 | 71.2° | 178.6° |
| C3 | N4 | C5 | H8 | 168.4° | 61.3° |
| H1 | N4 | C3 | H3 | 63.9° | 62.4° |
| H1 | N4 | C3 | H4 | 57.2° | 57.6° |
| H1 | N4 | C5 | H7 | 50.3° | 57.7° |
| H1 | N4 | C5 | H8 | 70.1° | 62.4° |
| H3 | C3 | C2 | H5 | 55.6° | 56.8° |
| H3 | C3 | C2 | H6 | 64.3° | 177.0° |
| H4 | C3 | C2 | H5 | 176.6° | 63.4° |
| H4 | C3 | C2 | H6 | 56.8° | 56.8° |
| H7 | C5 | C6 | H9 | 43.6° | 56.8° |
| H7 | C5 | C6 | H10 | 162.6° | 63.4° |
| H8 | C5 | C6 | H9 | 76.8° | 177.0° |
| H8 | C5 | C6 | H10 | 42.3° | 56.8° |
