K0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H6A | sing | 1.09Å | 1.10Å | |
| C1 | H6B | sing | 1.09Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | N | sing | 1.40Å | 1.36Å | |
| C4 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| C5 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| N | HN1A | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H1A | sing | 1.09Å | 1.10Å | |
| C7 | H1B | sing | 1.09Å | 1.10Å | |
| C8 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C9 | sing | 1.43Å | 1.41Å | |
| C9 | C | sing | 1.51Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H6A | 109.5° | 109.5° |
| C2 | C1 | H6B | 109.5° | 109.4° |
| C1 | C2 | C3 | 119.5° | 120.0° |
| C1 | C2 | C8 | 122.7° | 120.0° |
| H6 | C1 | H6A | 109.4° | 109.5° |
| H6 | C1 | H6B | 109.5° | 109.5° |
| H6A | C1 | H6B | 109.5° | 109.5° |
| C3 | C2 | C8 | 117.8° | 120.0° |
| C2 | C3 | C4 | 123.2° | 120.0° |
| C2 | C3 | H5 | 118.4° | 120.0° |
| C2 | C8 | C5 | 120.8° | 120.1° |
| C2 | C8 | O1 | 117.4° | 120.0° |
| C4 | C3 | H5 | 118.4° | 120.0° |
| C3 | C4 | N | 121.9° | 120.0° |
| C3 | C4 | C6 | 116.3° | 119.9° |
| N | C4 | C6 | 121.8° | 120.0° |
| C4 | N | HN1 | 109.5° | 120.0° |
| C4 | N | HN1A | 109.5° | 120.0° |
| C4 | C6 | C5 | 123.3° | 120.0° |
| C4 | C6 | H3 | 118.4° | 120.0° |
| C6 | C5 | C7 | 121.4° | 120.0° |
| C6 | C5 | C8 | 118.6° | 120.0° |
| C5 | C6 | H3 | 118.3° | 120.1° |
| C7 | C5 | C8 | 120.0° | 120.0° |
| C5 | C7 | H1 | 109.5° | 109.5° |
| C5 | C7 | H1A | 109.5° | 109.5° |
| C5 | C7 | H1B | 109.5° | 109.5° |
| C5 | C8 | O1 | 121.8° | 120.0° |
| HN1 | N | HN1A | 109.5° | 120.0° |
| H1 | C7 | H1A | 109.5° | 109.5° |
| H1 | C7 | H1B | 109.4° | 109.5° |
| H1A | C7 | H1B | 109.5° | 109.5° |
| C8 | O1 | C9 | 111.8° | 117.0° |
| O1 | C9 | C | 109.3° | 109.5° |
| O1 | C9 | H9 | 109.5° | 109.5° |
| O1 | C9 | H9A | 109.5° | 109.5° |
| C | C9 | H9 | 109.5° | 109.4° |
| C | C9 | H9A | 109.6° | 109.5° |
| C9 | C | O | 117.4° | 120.0° |
| C9 | C | OXT | 121.3° | 120.0° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| O | C | OXT | 121.3° | 119.9° |
| C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H6 | H6A | 120.0° | 120.0° |
| C2 | C1 | H6 | H6B | 120.0° | 120.0° |
| C2 | C1 | H6A | H6B | 120.0° | 120.0° |
| C1 | C2 | C3 | C8 | 178.9° | 179.8° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C3 | H5 | 0.5° | 0.1° |
| C1 | C2 | C8 | C5 | 179.8° | 179.7° |
| C1 | C2 | C8 | O1 | 0.9° | 0.0° |
| H6 | C1 | H6A | H6B | 120.0° | 120.0° |
| H6 | C1 | C2 | C3 | 89.5° | 90.0° |
| H6 | C1 | C2 | C8 | 89.4° | 90.2° |
| H6A | C1 | C2 | C3 | 150.5° | 150.0° |
| H6A | C1 | C2 | C8 | 30.6° | 29.8° |
| H6B | C1 | C2 | C3 | 30.5° | 30.0° |
| H6B | C1 | C2 | C8 | 150.6° | 149.7° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | N | 179.9° | 180.0° |
| C2 | C3 | C4 | C6 | 0.1° | 0.0° |
| C3 | C2 | C8 | C5 | 0.9° | 0.5° |
| C3 | C2 | C8 | O1 | 179.8° | 179.7° |
| C8 | C2 | C3 | C4 | 0.6° | 0.2° |
| C8 | C2 | C3 | H5 | 179.4° | 179.8° |
| C2 | C8 | C5 | C6 | 0.6° | 0.5° |
| C2 | C8 | C5 | C7 | 179.0° | 179.8° |
| C2 | C8 | C5 | O1 | 179.3° | 179.8° |
| C2 | C8 | O1 | C9 | 95.4° | 90.1° |
| C3 | C4 | N | C6 | 179.8° | 180.0° |
| C3 | C4 | C6 | C5 | 0.4° | 0.0° |
| C3 | C4 | N | HN1 | 180.0° | 0.0° |
| C3 | C4 | N | HN1A | 60.0° | 180.0° |
| C3 | C4 | C6 | H3 | 179.6° | 180.0° |
| H5 | C3 | C4 | N | 0.1° | 0.1° |
| H5 | C3 | C4 | C6 | 179.9° | 179.9° |
| N | C4 | C6 | C5 | 179.8° | 180.0° |
| C4 | N | HN1 | HN1A | 120.0° | 180.0° |
| N | C4 | C6 | H3 | 0.2° | 0.0° |
| C4 | C6 | C5 | H3 | 180.0° | 180.0° |
| C4 | C6 | C5 | C7 | 179.6° | 180.0° |
| C4 | C6 | C5 | C8 | 0.1° | 0.2° |
| C6 | C4 | N | HN1 | 0.2° | 180.0° |
| C6 | C4 | N | HN1A | 120.2° | 0.0° |
| C6 | C5 | C7 | C8 | 179.5° | 179.7° |
| C6 | C5 | C7 | H1 | 89.7° | 90.0° |
| C6 | C5 | C7 | H1A | 150.3° | 150.0° |
| C6 | C5 | C7 | H1B | 30.2° | 30.0° |
| C6 | C5 | C8 | O1 | 179.9° | 179.7° |
| C7 | C5 | C6 | H3 | 0.4° | 0.0° |
| C5 | C7 | H1 | H1A | 120.0° | 120.0° |
| C5 | C7 | H1 | H1B | 120.0° | 120.0° |
| C5 | C7 | H1A | H1B | 120.0° | 120.0° |
| C7 | C5 | C8 | O1 | 0.3° | 0.0° |
| C8 | C5 | C6 | H3 | 179.9° | 179.7° |
| C8 | C5 | C7 | H1 | 89.8° | 89.7° |
| C8 | C5 | C7 | H1A | 30.2° | 30.3° |
| C8 | C5 | C7 | H1B | 150.2° | 150.3° |
| C5 | C8 | O1 | C9 | 84.0° | 89.7° |
| H1 | C7 | H1A | H1B | 120.0° | 120.0° |
| C8 | O1 | C9 | C | 168.0° | 180.0° |
| C8 | O1 | C9 | H9 | 72.0° | 60.1° |
| C8 | O1 | C9 | H9A | 47.9° | 59.9° |
| O1 | C9 | C | H9 | 120.0° | 119.9° |
| O1 | C9 | C | H9A | 120.0° | 120.1° |
| O1 | C9 | H9 | H9A | 120.0° | 120.0° |
| O1 | C9 | C | O | 164.0° | 0.1° |
| O1 | C9 | C | OXT | 16.0° | 180.0° |
| C | C9 | H9 | H9A | 120.1° | 120.0° |
| C9 | C | O | OXT | 180.0° | 179.9° |
| C9 | C | OXT | HXT | 180.0° | 180.0° |
| H9 | C9 | C | O | 44.0° | 120.0° |
| H9 | C9 | C | OXT | 136.0° | 60.1° |
| H9A | C9 | C | O | 76.0° | 120.0° |
| H9A | C9 | C | OXT | 104.0° | 59.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
