K0G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.41Å | |
| N | C | sing | 1.35Å | 1.39Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C7 | sing | 1.40Å | 1.43Å | |
| C7 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C4 | C3 | C2 | 119.3° | 120.1° |
| C3 | C4 | H2 | 119.9° | 119.9° |
| C4 | C3 | H10 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C4 | C5 | H3 | 119.8° | 119.9° |
| C3 | C2 | C1 | 120.5° | 119.9° |
| C3 | C2 | H9 | 119.7° | 120.1° |
| C2 | C3 | H10 | 120.4° | 119.9° |
| C5 | C6 | C1 | 118.7° | 120.0° |
| C6 | C5 | H3 | 119.8° | 120.0° |
| C5 | C6 | H4 | 120.6° | 120.0° |
| C2 | C1 | C6 | 120.8° | 119.8° |
| C2 | C1 | N | 114.8° | 120.1° |
| C1 | C2 | H9 | 119.7° | 120.0° |
| C6 | C1 | N | 124.3° | 120.1° |
| C1 | C6 | H4 | 120.7° | 120.0° |
| C1 | N | C | 124.9° | 120.0° |
| C1 | N | H7 | 117.5° | 120.0° |
| N | C | O | 123.1° | 120.0° |
| N | C | N1 | 113.9° | 120.0° |
| C | N | H7 | 117.5° | 120.0° |
| O | C | N1 | 123.0° | 120.0° |
| C | N1 | C7 | 122.1° | 120.0° |
| C | N1 | H1 | 118.9° | 120.0° |
| N1 | C7 | C8 | 125.4° | 120.5° |
| N1 | C7 | C11 | 115.9° | 120.5° |
| C7 | N1 | H1 | 118.9° | 120.0° |
| C8 | C7 | C11 | 118.4° | 119.0° |
| C7 | C8 | C9 | 118.6° | 118.4° |
| C7 | C8 | H5 | 120.7° | 120.8° |
| C7 | C11 | N2 | 123.2° | 120.7° |
| C7 | C11 | H8 | 118.4° | 119.7° |
| C8 | C9 | C10 | 118.9° | 119.2° |
| C9 | C8 | H5 | 120.7° | 120.8° |
| C8 | C9 | H11 | 120.5° | 120.4° |
| C11 | N2 | C10 | 117.8° | 121.8° |
| N2 | C11 | H8 | 118.4° | 119.7° |
| C9 | C10 | N2 | 123.0° | 120.9° |
| C9 | C10 | H6 | 118.5° | 119.5° |
| C10 | C9 | H11 | 120.6° | 120.4° |
| N2 | C10 | H6 | 118.5° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C4 | C3 | C2 | H10 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.7° | 0.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | H3 | 178.3° | 180.0° |
| C4 | C3 | C2 | H9 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.8° | 0.0° |
| C4 | C5 | C6 | H4 | 179.2° | 180.0° |
| C5 | C4 | C3 | H10 | 178.9° | 180.0° |
| C3 | C2 | C1 | H9 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.1° | 0.1° |
| C3 | C2 | C1 | N | 176.3° | 180.0° |
| C2 | C3 | C4 | H2 | 178.9° | 179.7° |
| C5 | C6 | C1 | C2 | 0.6° | 0.1° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | N | 176.6° | 180.0° |
| C6 | C5 | C4 | H2 | 178.4° | 179.7° |
| C2 | C1 | C6 | N | 177.2° | 179.9° |
| C2 | C1 | N | C | 158.0° | 146.4° |
| C2 | C1 | C6 | H4 | 179.5° | 180.0° |
| C2 | C1 | N | H7 | 22.0° | 33.5° |
| C1 | C2 | C3 | H10 | 179.7° | 179.9° |
| C6 | C1 | N | C | 24.7° | 33.7° |
| C1 | C6 | C5 | H3 | 179.2° | 180.0° |
| C6 | C1 | N | H7 | 155.3° | 146.5° |
| C6 | C1 | C2 | H9 | 178.9° | 180.0° |
| C1 | N | C | H7 | 180.0° | 179.9° |
| C1 | N | C | O | 1.9° | 5.1° |
| C1 | N | C | N1 | 179.5° | 174.9° |
| N | C1 | C6 | H4 | 3.3° | 0.0° |
| N | C1 | C2 | H9 | 3.7° | 0.1° |
| N | C | O | N1 | 178.5° | 180.0° |
| N | C | N1 | C7 | 177.1° | 174.9° |
| N | C | N1 | H1 | 3.0° | 5.5° |
| O | C | N1 | C7 | 4.3° | 5.2° |
| O | C | N1 | H1 | 175.6° | 174.5° |
| O | C | N | H7 | 178.1° | 174.8° |
| C | N1 | C7 | H1 | 180.0° | 179.6° |
| C | N1 | C7 | C8 | 32.3° | 32.0° |
| C | N1 | C7 | C11 | 141.2° | 148.3° |
| N1 | C | N | H7 | 0.5° | 5.2° |
| N1 | C7 | C8 | C11 | 173.4° | 179.7° |
| N1 | C7 | C8 | C9 | 171.0° | 180.0° |
| N1 | C7 | C11 | N2 | 171.3° | 179.9° |
| N1 | C7 | C8 | H5 | 9.0° | 0.1° |
| N1 | C7 | C11 | H8 | 8.7° | 0.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C11 | N2 | 2.7° | 0.2° |
| C7 | C8 | C9 | C10 | 0.9° | 0.0° |
| C8 | C7 | N1 | H1 | 147.7° | 148.4° |
| C8 | C7 | C11 | H8 | 177.4° | 179.7° |
| C7 | C8 | C9 | H11 | 179.1° | 180.0° |
| C11 | C7 | C8 | C9 | 2.3° | 0.2° |
| C7 | C11 | N2 | H8 | 180.0° | 179.9° |
| C7 | C11 | N2 | C10 | 1.3° | 0.2° |
| C11 | C7 | N1 | H1 | 38.8° | 31.3° |
| C11 | C7 | C8 | H5 | 177.7° | 179.8° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C8 | C9 | C10 | N2 | 0.5° | 0.3° |
| C8 | C9 | C10 | H6 | 179.5° | 180.0° |
| C11 | N2 | C10 | C9 | 0.3° | 0.4° |
| C11 | N2 | C10 | H6 | 179.8° | 179.9° |
| C9 | C10 | N2 | H6 | 180.0° | 179.7° |
| C10 | C9 | C8 | H5 | 179.1° | 180.0° |
| C10 | N2 | C11 | H8 | 178.7° | 179.9° |
| N2 | C10 | C9 | H11 | 179.5° | 179.7° |
| H2 | C4 | C5 | H3 | 1.7° | 0.3° |
| H2 | C4 | C3 | H10 | 1.1° | 0.2° |
| H3 | C5 | C6 | H4 | 0.9° | 0.0° |
| H5 | C8 | C9 | H11 | 0.9° | 0.1° |
| H6 | C10 | C9 | H11 | 0.5° | 0.0° |
| H9 | C2 | C3 | H10 | 0.3° | 0.0° |
