1FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C5 | sing | 1.33Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.42Å | |
| C5 | N | doub | 1.33Å | 1.38Å | Aromatic |
| C4 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.47Å | |
| C2 | N3 | sing | 1.39Å | 1.32Å | Aromatic |
| C1 | O | doub | 1.22Å | 1.28Å | |
| C9 | N3 | sing | 1.37Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C13 | sing | 1.36Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | N2 | sing | 1.39Å | 1.37Å | |
| C6 | N | sing | 1.32Å | 1.36Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C8 | C7 | 123.3° | 119.2° |
| C8 | N1 | C5 | 118.8° | 120.7° |
| N1 | C8 | H10 | 118.3° | 120.4° |
| C8 | C7 | C6 | 114.6° | 118.7° |
| C7 | C8 | H10 | 118.4° | 120.4° |
| C8 | C7 | H11 | 122.7° | 120.6° |
| N1 | C5 | C4 | 118.4° | 119.3° |
| N1 | C5 | N | 121.5° | 121.5° |
| C | C1 | C2 | 116.4° | 120.0° |
| C | C1 | O | 121.6° | 120.0° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| C7 | C6 | N | 122.9° | 119.2° |
| C6 | C7 | H11 | 122.7° | 120.7° |
| C7 | C6 | H12 | 118.5° | 120.4° |
| C4 | C3 | C2 | 109.4° | 107.6° |
| C3 | C4 | C5 | 125.4° | 126.3° |
| C3 | C4 | C9 | 104.4° | 107.4° |
| C4 | C3 | H9 | 125.3° | 126.2° |
| C3 | C2 | C1 | 128.1° | 125.8° |
| C3 | C2 | N3 | 108.4° | 108.5° |
| C2 | C3 | H9 | 125.3° | 126.2° |
| C4 | C5 | N | 120.1° | 119.2° |
| C5 | C4 | C9 | 130.2° | 126.3° |
| C5 | N | C6 | 118.9° | 120.7° |
| C4 | C9 | N3 | 109.4° | 108.1° |
| C4 | C9 | C10 | 131.9° | 131.8° |
| C1 | C2 | N3 | 123.4° | 125.7° |
| C2 | C1 | O | 121.9° | 120.1° |
| C2 | N3 | C9 | 108.4° | 108.4° |
| C2 | N3 | C13 | 130.1° | 131.1° |
| N3 | C9 | C10 | 118.7° | 120.1° |
| C9 | N3 | C13 | 121.5° | 120.4° |
| C9 | C10 | C11 | 119.5° | 119.2° |
| C9 | C10 | H8 | 120.3° | 120.4° |
| N3 | C13 | C12 | 118.5° | 121.0° |
| N3 | C13 | H4 | 120.7° | 119.5° |
| C10 | C11 | C12 | 120.3° | 119.1° |
| C10 | C11 | N2 | 119.6° | 120.4° |
| C11 | C10 | H8 | 120.3° | 120.4° |
| C13 | C12 | C11 | 121.6° | 120.1° |
| C12 | C13 | H4 | 120.8° | 119.5° |
| C13 | C12 | H5 | 119.2° | 119.9° |
| C12 | C11 | N2 | 120.1° | 120.5° |
| C11 | C12 | H5 | 119.2° | 119.9° |
| C11 | N2 | H6 | 109.5° | 119.9° |
| C11 | N2 | H7 | 109.4° | 120.0° |
| N | C6 | H12 | 118.6° | 120.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H6 | N2 | H7 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C8 | C7 | H10 | 180.0° | 179.9° |
| N1 | C8 | C7 | C6 | 0.5° | 0.0° |
| C8 | N1 | C5 | C4 | 179.9° | 179.9° |
| C8 | N1 | C5 | N | 1.7° | 0.3° |
| N1 | C8 | C7 | H11 | 179.5° | 179.9° |
| C7 | C8 | N1 | C5 | 0.9° | 0.0° |
| C8 | C7 | C6 | H11 | 180.0° | 180.0° |
| C8 | C7 | C6 | N | 1.1° | 0.2° |
| C8 | C7 | C6 | H12 | 178.9° | 180.0° |
| N1 | C5 | C4 | C3 | 20.5° | 179.4° |
| N1 | C5 | C4 | N | 178.3° | 179.8° |
| N1 | C5 | C4 | C9 | 161.3° | 0.2° |
| N1 | C5 | N | C6 | 1.1° | 0.5° |
| C5 | N1 | C8 | H10 | 179.1° | 180.0° |
| C | C1 | C2 | C3 | 5.7° | 0.5° |
| C | C1 | C2 | O | 178.8° | 179.8° |
| C | C1 | C2 | N3 | 177.9° | 179.7° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C7 | C6 | N | C5 | 0.4° | 0.5° |
| C7 | C6 | N | H12 | 180.0° | 179.8° |
| C6 | C7 | C8 | H10 | 179.5° | 180.0° |
| C4 | C3 | C2 | H9 | 180.0° | 179.6° |
| C3 | C4 | C5 | C9 | 178.3° | 179.6° |
| C3 | C4 | C5 | N | 157.8° | 0.4° |
| C4 | C3 | C2 | C1 | 178.0° | 179.8° |
| C4 | C3 | C2 | N3 | 1.2° | 0.4° |
| C3 | C4 | C9 | N3 | 0.4° | 0.3° |
| C3 | C4 | C9 | C10 | 179.8° | 179.8° |
| C2 | C3 | C4 | C5 | 179.0° | 179.9° |
| C2 | C3 | C4 | C9 | 0.4° | 0.4° |
| C3 | C2 | C1 | N3 | 176.3° | 179.7° |
| C3 | C2 | C1 | O | 173.1° | 179.7° |
| C3 | C2 | N3 | C9 | 1.4° | 0.2° |
| C3 | C2 | N3 | C13 | 179.8° | 179.7° |
| C5 | C4 | C9 | N3 | 178.1° | 180.0° |
| C5 | C4 | C9 | C10 | 1.3° | 0.1° |
| C4 | C5 | N | C6 | 179.3° | 179.7° |
| C5 | C4 | C3 | H9 | 1.0° | 0.3° |
| N | C5 | C4 | C9 | 20.4° | 180.0° |
| C5 | N | C6 | H12 | 179.6° | 179.8° |
| C4 | C9 | N3 | C2 | 1.2° | 0.0° |
| C4 | C9 | N3 | C10 | 179.5° | 180.0° |
| C4 | C9 | N3 | C13 | 179.9° | 180.0° |
| C4 | C9 | C10 | C11 | 179.6° | 180.0° |
| C4 | C9 | C10 | H8 | 0.4° | 0.1° |
| C9 | C4 | C3 | H9 | 179.6° | 180.0° |
| C1 | C2 | N3 | C9 | 178.4° | 180.0° |
| C1 | C2 | N3 | C13 | 2.8° | 0.1° |
| C2 | C1 | C | H1 | 178.8° | 179.7° |
| C2 | C1 | C | H2 | 58.8° | 59.8° |
| C2 | C1 | C | H3 | 61.2° | 60.3° |
| C1 | C2 | C3 | H9 | 2.0° | 0.2° |
| N3 | C2 | C1 | O | 3.3° | 0.1° |
| C2 | N3 | C9 | C13 | 178.9° | 180.0° |
| C2 | N3 | C9 | C10 | 179.3° | 180.0° |
| C2 | N3 | C13 | C12 | 179.1° | 180.0° |
| C2 | N3 | C13 | H4 | 0.9° | 0.1° |
| N3 | C2 | C3 | H9 | 178.8° | 180.0° |
| O | C1 | C | H1 | 0.0° | 0.0° |
| O | C1 | C | H2 | 120.0° | 120.0° |
| O | C1 | C | H3 | 120.0° | 120.0° |
| N3 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | N3 | C13 | C12 | 0.5° | 0.0° |
| C9 | N3 | C13 | H4 | 179.6° | 180.0° |
| N3 | C9 | C10 | H8 | 179.8° | 180.0° |
| C10 | C9 | N3 | C13 | 0.4° | 0.0° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | N2 | 178.6° | 180.0° |
| N3 | C13 | C12 | H4 | 180.0° | 180.0° |
| N3 | C13 | C12 | C11 | 0.4° | 0.1° |
| N3 | C13 | C12 | H5 | 179.6° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | N2 | 178.7° | 180.0° |
| C10 | C11 | C12 | H5 | 179.8° | 179.9° |
| C10 | C11 | N2 | H6 | 180.0° | 180.0° |
| C10 | C11 | N2 | H7 | 60.0° | 0.0° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | N2 | 178.5° | 180.0° |
| C11 | C12 | C13 | H4 | 179.7° | 180.0° |
| C12 | C11 | N2 | H6 | 1.3° | 0.0° |
| C12 | C11 | N2 | H7 | 118.7° | 180.0° |
| C12 | C11 | C10 | H8 | 179.9° | 180.0° |
| N2 | C11 | C12 | H5 | 1.5° | 0.0° |
| C11 | N2 | H6 | H7 | 120.0° | 180.0° |
| N2 | C11 | C10 | H8 | 1.4° | 0.0° |
| N | C6 | C7 | H11 | 178.9° | 179.7° |
| H1 | C | H2 | H3 | 120.0° | 120.1° |
| H4 | C13 | C12 | H5 | 0.3° | 0.0° |
| H10 | C8 | C7 | H11 | 0.5° | 0.0° |
| H11 | C7 | C6 | H12 | 1.1° | 0.1° |
