KFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.42Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | N14 | sing | 1.39Å | 1.35Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.55Å | 1.55Å | |
| C25 | C24 | sing | 1.55Å | 1.55Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.48Å | 1.50Å | |
| C26 | C22 | sing | 1.54Å | 1.54Å | |
| N7 | C6 | sing | 1.35Å | 1.34Å | |
| N7 | C22 | sing | 1.46Å | 1.46Å | |
| N14 | C16 | sing | 1.40Å | 1.35Å | |
| C6 | O5 | doub | 1.22Å | 1.21Å | |
| C24 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | C23 | sing | 1.54Å | 1.54Å | |
| C16 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| N14 | H22 | sing | 0.97Å | 1.00Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C1 | C2 | 120.0° | 119.5° |
| C15 | C1 | C4 | 120.3° | 119.6° |
| C1 | C15 | H4 | 109.5° | 109.5° |
| C1 | C15 | H5 | 109.4° | 109.5° |
| C1 | C15 | H6 | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.0° | 121.0° |
| C2 | C1 | C4 | 119.7° | 120.9° |
| C1 | C2 | H1 | 120.0° | 119.5° |
| C2 | C3 | C9 | 119.7° | 119.7° |
| C3 | C2 | H1 | 120.0° | 119.4° |
| C2 | C3 | H2 | 120.2° | 120.1° |
| C1 | C4 | C8 | 120.6° | 119.7° |
| C1 | C4 | H21 | 119.7° | 120.2° |
| C3 | C9 | C8 | 121.1° | 119.0° |
| C3 | C9 | N10 | 117.8° | 120.9° |
| C9 | C3 | H2 | 120.1° | 120.1° |
| C4 | C8 | C9 | 118.8° | 119.6° |
| C4 | C8 | C13 | 122.5° | 121.3° |
| C8 | C4 | H21 | 119.7° | 120.2° |
| C8 | C9 | N10 | 121.0° | 120.1° |
| C9 | C8 | C13 | 118.7° | 119.0° |
| C9 | N10 | C11 | 121.4° | 121.7° |
| C8 | C13 | N14 | 121.3° | 121.0° |
| C8 | C13 | C12 | 118.8° | 118.1° |
| N10 | C11 | C12 | 120.4° | 121.6° |
| N10 | C11 | C6 | 118.2° | 119.2° |
| N14 | C13 | C12 | 119.9° | 121.0° |
| C13 | N14 | C16 | 126.4° | 120.0° |
| C13 | N14 | H22 | 116.8° | 120.0° |
| C13 | C12 | C11 | 119.7° | 119.5° |
| C13 | C12 | H3 | 120.2° | 120.3° |
| C26 | C25 | C24 | 106.9° | 102.7° |
| C25 | C26 | C22 | 104.2° | 104.2° |
| C26 | C25 | H17 | 110.1° | 110.7° |
| C26 | C25 | H18 | 110.1° | 110.8° |
| C25 | C26 | H19 | 110.8° | 110.5° |
| C25 | C26 | H20 | 110.8° | 110.5° |
| C25 | C24 | C23 | 105.1° | 104.2° |
| C25 | C24 | H15 | 110.6° | 110.5° |
| C25 | C24 | H16 | 110.5° | 110.6° |
| C24 | C25 | H17 | 110.1° | 110.7° |
| C24 | C25 | H18 | 110.1° | 110.8° |
| C12 | C11 | C6 | 121.4° | 119.2° |
| C11 | C12 | H3 | 120.2° | 120.2° |
| C11 | C6 | N7 | 118.9° | 120.1° |
| C11 | C6 | O5 | 118.6° | 120.0° |
| C26 | C22 | N7 | 113.9° | 110.1° |
| C26 | C22 | C23 | 102.3° | 106.6° |
| C26 | C22 | H12 | 108.9° | 110.0° |
| C22 | C26 | H19 | 110.8° | 110.5° |
| C22 | C26 | H20 | 110.8° | 110.4° |
| C6 | N7 | C22 | 118.8° | 120.0° |
| N7 | C6 | O5 | 122.5° | 119.9° |
| C6 | N7 | H23 | 120.6° | 119.9° |
| N7 | C22 | C23 | 112.5° | 110.1° |
| N7 | C22 | H12 | 110.0° | 110.0° |
| C22 | N7 | H23 | 120.6° | 120.0° |
| N14 | C16 | C21 | 122.5° | 120.1° |
| N14 | C16 | C17 | 119.0° | 120.1° |
| C16 | N14 | H22 | 116.8° | 120.0° |
| C24 | C23 | C22 | 103.8° | 106.6° |
| C24 | C23 | H13 | 110.9° | 110.0° |
| C24 | C23 | H14 | 110.9° | 110.0° |
| C23 | C24 | H15 | 110.5° | 110.5° |
| C23 | C24 | H16 | 110.6° | 110.5° |
| C23 | C22 | H12 | 108.9° | 110.0° |
| C22 | C23 | H13 | 110.9° | 110.0° |
| C22 | C23 | H14 | 110.9° | 110.1° |
| C21 | C16 | C17 | 118.5° | 119.9° |
| C16 | C21 | C20 | 120.7° | 119.9° |
| C16 | C21 | H11 | 119.7° | 120.0° |
| C16 | C17 | C18 | 120.9° | 119.9° |
| C16 | C17 | H7 | 119.5° | 120.1° |
| C21 | C20 | C19 | 120.4° | 120.1° |
| C21 | C20 | H10 | 119.8° | 120.0° |
| C20 | C21 | H11 | 119.6° | 120.1° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C18 | C17 | H7 | 119.5° | 120.0° |
| C17 | C18 | H8 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.2° | 120.2° |
| C20 | C19 | H9 | 120.4° | 119.9° |
| C19 | C20 | H10 | 119.8° | 120.0° |
| C19 | C18 | H8 | 119.9° | 119.9° |
| C18 | C19 | H9 | 120.4° | 120.0° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 110.0° |
| H15 | C24 | H16 | 109.5° | 110.5° |
| H17 | C25 | H18 | 109.5° | 110.8° |
| H19 | C26 | H20 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C1 | C2 | C4 | 179.6° | 179.7° |
| C15 | C1 | C2 | C3 | 179.6° | 179.7° |
| C15 | C1 | C4 | C8 | 179.7° | 179.7° |
| C15 | C1 | C2 | H1 | 0.4° | 0.3° |
| C1 | C15 | H4 | H5 | 120.0° | 120.0° |
| C1 | C15 | H4 | H6 | 120.0° | 120.0° |
| C1 | C15 | H5 | H6 | 120.0° | 120.0° |
| C15 | C1 | C4 | H21 | 0.4° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C9 | 0.3° | 0.0° |
| C2 | C1 | C4 | C8 | 0.7° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C15 | H4 | 90.2° | 90.3° |
| C2 | C1 | C15 | H5 | 149.8° | 29.7° |
| C2 | C1 | C15 | H6 | 29.8° | 149.7° |
| C2 | C1 | C4 | H21 | 179.3° | 180.0° |
| C3 | C2 | C1 | C4 | 0.7° | 0.0° |
| C2 | C3 | C9 | H2 | 180.0° | 180.0° |
| C2 | C3 | C9 | C8 | 0.2° | 0.1° |
| C2 | C3 | C9 | N10 | 179.8° | 180.0° |
| C1 | C4 | C8 | H21 | 180.0° | 180.0° |
| C1 | C4 | C8 | C9 | 0.3° | 0.0° |
| C1 | C4 | C8 | C13 | 180.0° | 180.0° |
| C4 | C1 | C2 | H1 | 179.3° | 180.0° |
| C4 | C1 | C15 | H4 | 90.2° | 90.0° |
| C4 | C1 | C15 | H5 | 29.8° | 150.0° |
| C4 | C1 | C15 | H6 | 149.8° | 30.0° |
| C3 | C9 | C8 | C4 | 0.2° | 0.1° |
| C3 | C9 | C8 | N10 | 179.7° | 179.9° |
| C3 | C9 | C8 | C13 | 179.6° | 180.0° |
| C3 | C9 | N10 | C11 | 179.7° | 180.0° |
| C9 | C3 | C2 | H1 | 179.7° | 180.0° |
| C4 | C8 | C9 | C13 | 179.8° | 180.0° |
| C4 | C8 | C9 | N10 | 179.8° | 180.0° |
| C4 | C8 | C13 | N14 | 0.1° | 0.0° |
| C4 | C8 | C13 | C12 | 179.9° | 179.9° |
| C8 | C9 | N10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C13 | N14 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.1° |
| C8 | C9 | C3 | H2 | 179.9° | 180.0° |
| C9 | C8 | C4 | H21 | 179.7° | 180.0° |
| N10 | C9 | C8 | C13 | 0.0° | 0.0° |
| C9 | N10 | C11 | C12 | 0.1° | 0.0° |
| C9 | N10 | C11 | C6 | 179.8° | 179.9° |
| N10 | C9 | C3 | H2 | 0.2° | 0.0° |
| C8 | C13 | N14 | C12 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 0.0° | 0.2° |
| C8 | C13 | N14 | C16 | 176.1° | 172.4° |
| C8 | C13 | C12 | H3 | 180.0° | 180.0° |
| C13 | C8 | C4 | H21 | 0.1° | 0.0° |
| C8 | C13 | N14 | H22 | 3.9° | 7.6° |
| N10 | C11 | C12 | C13 | 0.1° | 0.2° |
| N10 | C11 | C12 | C6 | 179.6° | 179.9° |
| N10 | C11 | C6 | N7 | 11.3° | 0.1° |
| N10 | C11 | C6 | O5 | 169.2° | 179.9° |
| N10 | C11 | C12 | H3 | 179.9° | 180.0° |
| N14 | C13 | C12 | C11 | 180.0° | 179.9° |
| C13 | N14 | C16 | H22 | 180.0° | 180.0° |
| C13 | N14 | C16 | C21 | 60.1° | 138.5° |
| C13 | N14 | C16 | C17 | 121.8° | 41.8° |
| N14 | C13 | C12 | H3 | 0.0° | 0.1° |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C13 | C12 | C11 | C6 | 179.7° | 180.0° |
| C12 | C13 | N14 | C16 | 3.9° | 7.5° |
| C12 | C13 | N14 | H22 | 176.1° | 172.5° |
| C26 | C25 | C24 | H17 | 119.6° | 118.3° |
| C26 | C25 | C24 | H18 | 119.6° | 118.3° |
| C25 | C26 | C22 | H19 | 119.1° | 118.7° |
| C25 | C26 | C22 | H20 | 119.1° | 118.7° |
| C25 | C26 | C22 | N7 | 83.4° | 95.7° |
| C26 | C25 | C24 | C23 | 5.6° | 37.9° |
| C25 | C26 | C22 | C23 | 38.3° | 23.6° |
| C25 | C26 | C22 | H12 | 153.4° | 142.9° |
| C26 | C25 | C24 | H15 | 124.8° | 156.6° |
| C26 | C25 | C24 | H16 | 113.8° | 80.8° |
| C26 | C25 | H17 | H18 | 121.2° | 123.4° |
| C25 | C26 | H19 | H20 | 122.5° | 122.6° |
| C24 | C25 | C26 | C22 | 20.3° | 38.0° |
| C25 | C24 | C23 | H15 | 119.3° | 118.7° |
| C25 | C24 | C23 | H16 | 119.3° | 118.8° |
| C25 | C24 | C23 | C22 | 29.4° | 23.6° |
| C25 | C24 | C23 | H13 | 89.7° | 95.7° |
| C25 | C24 | C23 | H14 | 148.5° | 143.0° |
| C25 | C24 | H15 | H16 | 122.0° | 122.7° |
| C24 | C25 | H17 | H18 | 121.2° | 123.3° |
| C24 | C25 | C26 | H19 | 139.5° | 80.8° |
| C24 | C25 | C26 | H20 | 98.8° | 156.6° |
| C12 | C11 | C6 | N7 | 168.4° | 180.0° |
| C12 | C11 | C6 | O5 | 11.1° | 0.1° |
| C11 | C6 | N7 | O5 | 179.5° | 179.9° |
| C11 | C6 | N7 | C22 | 179.9° | 180.0° |
| C6 | C11 | C12 | H3 | 0.3° | 0.1° |
| C11 | C6 | N7 | H23 | 0.1° | 0.0° |
| C26 | C22 | N7 | C6 | 154.2° | 87.8° |
| C26 | C22 | N7 | C23 | 115.8° | 117.2° |
| C26 | C22 | N7 | H12 | 122.6° | 121.4° |
| C26 | C22 | C23 | C24 | 42.0° | 0.0° |
| C26 | C22 | C23 | H12 | 115.1° | 119.2° |
| C26 | C22 | C23 | H13 | 77.1° | 119.3° |
| C26 | C22 | C23 | H14 | 161.0° | 119.3° |
| C22 | C26 | C25 | H17 | 139.9° | 80.3° |
| C22 | C26 | C25 | H18 | 99.2° | 156.3° |
| C22 | C26 | H19 | H20 | 122.5° | 122.6° |
| C26 | C22 | N7 | H23 | 25.8° | 92.2° |
| C6 | N7 | C22 | H23 | 180.0° | 180.0° |
| C6 | N7 | C22 | C23 | 90.0° | 155.0° |
| C6 | N7 | C22 | H12 | 31.6° | 33.6° |
| C22 | N7 | C6 | O5 | 0.6° | 0.0° |
| N7 | C22 | C23 | C24 | 80.7° | 119.3° |
| N7 | C22 | C23 | H12 | 122.2° | 121.4° |
| N7 | C22 | C23 | H13 | 160.2° | 0.1° |
| N7 | C22 | C23 | H14 | 38.4° | 121.3° |
| N7 | C22 | C26 | H19 | 35.7° | 145.6° |
| N7 | C22 | C26 | H20 | 157.5° | 23.0° |
| N14 | C16 | C21 | C17 | 178.1° | 179.7° |
| N14 | C16 | C21 | C20 | 179.5° | 179.7° |
| N14 | C16 | C17 | C18 | 179.4° | 179.7° |
| N14 | C16 | C17 | H7 | 0.6° | 0.3° |
| N14 | C16 | C21 | H11 | 0.5° | 0.3° |
| O5 | C6 | N7 | H23 | 179.4° | 179.9° |
| C24 | C23 | C22 | H13 | 119.1° | 119.3° |
| C24 | C23 | C22 | H14 | 119.1° | 119.3° |
| C24 | C23 | C22 | H12 | 157.1° | 119.2° |
| C24 | C23 | H13 | H14 | 122.6° | 121.4° |
| C23 | C24 | H15 | H16 | 122.0° | 122.5° |
| C23 | C24 | C25 | H17 | 114.0° | 80.4° |
| C23 | C24 | C25 | H18 | 125.2° | 156.3° |
| C22 | C23 | H13 | H14 | 122.7° | 121.4° |
| C22 | C23 | C24 | H15 | 148.7° | 142.2° |
| C22 | C23 | C24 | H16 | 89.9° | 95.2° |
| C23 | C22 | C26 | H19 | 157.4° | 95.0° |
| C23 | C22 | C26 | H20 | 80.9° | 142.3° |
| C23 | C22 | N7 | H23 | 90.0° | 25.0° |
| C16 | C21 | C20 | H11 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 1.2° | 0.0° |
| C16 | C21 | C20 | C19 | 1.0° | 0.0° |
| C21 | C16 | C17 | H7 | 178.8° | 180.0° |
| C16 | C21 | C20 | H10 | 179.0° | 179.9° |
| C21 | C16 | N14 | H22 | 119.9° | 41.5° |
| C17 | C16 | C21 | C20 | 1.4° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.1° |
| C16 | C17 | C18 | H8 | 179.4° | 180.0° |
| C17 | C16 | C21 | H11 | 178.6° | 180.0° |
| C17 | C16 | N14 | H22 | 58.2° | 138.1° |
| C21 | C20 | C19 | H10 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.4° | 0.1° |
| C21 | C20 | C19 | H9 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H8 | 180.0° | 179.9° |
| C17 | C18 | C19 | H9 | 179.8° | 179.9° |
| C20 | C19 | C18 | H9 | 180.0° | 180.0° |
| C20 | C19 | C18 | H8 | 179.8° | 180.0° |
| C19 | C20 | C21 | H11 | 179.0° | 180.0° |
| C19 | C18 | C17 | H7 | 179.4° | 180.0° |
| C18 | C19 | C20 | H10 | 179.6° | 180.0° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H4 | C15 | H5 | H6 | 120.0° | 120.0° |
| H7 | C17 | C18 | H8 | 0.6° | 0.1° |
| H8 | C18 | C19 | H9 | 0.2° | 0.0° |
| H9 | C19 | C20 | H10 | 0.4° | 0.0° |
| H10 | C20 | C21 | H11 | 1.0° | 0.0° |
| H12 | C22 | C23 | H13 | 38.0° | 121.5° |
| H12 | C22 | C23 | H14 | 83.9° | 0.1° |
| H12 | C22 | C26 | H19 | 87.5° | 24.2° |
| H12 | C22 | C26 | H20 | 34.2° | 98.4° |
| H12 | C22 | N7 | H23 | 148.4° | 146.4° |
| H13 | C23 | C24 | H15 | 29.6° | 22.9° |
| H13 | C23 | C24 | H16 | 151.0° | 145.5° |
| H14 | C23 | C24 | H15 | 92.2° | 98.4° |
| H14 | C23 | C24 | H16 | 29.2° | 24.1° |
| H15 | C24 | C25 | H17 | 5.2° | 38.3° |
| H15 | C24 | C25 | H18 | 115.6° | 85.1° |
| H16 | C24 | C25 | H17 | 126.6° | 160.9° |
| H16 | C24 | C25 | H18 | 5.8° | 37.5° |
| H17 | C25 | C26 | H19 | 101.0° | 161.0° |
| H17 | C25 | C26 | H20 | 20.8° | 38.3° |
| H18 | C25 | C26 | H19 | 19.9° | 37.6° |
| H18 | C25 | C26 | H20 | 141.6° | 85.1° |
