FJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.21Å | 1.22Å | |
| C07 | C12 | sing | 1.51Å | 1.49Å | |
| C07 | C08 | sing | 1.51Å | 1.50Å | |
| C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C05 | sing | 1.47Å | 1.50Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O18 | sing | 1.36Å | 1.38Å | |
| O18 | C19 | sing | 1.43Å | 1.38Å | |
| C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| O10 | C04 | sing | 1.36Å | 1.37Å | |
| C06 | C03 | sing | 1.37Å | 1.38Å | Aromatic |
| C04 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | CL | sing | 1.74Å | 1.73Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O11 | sing | 1.36Å | 1.38Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| O10 | H5 | sing | 0.97Å | 0.95Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C07 | 119.3° | 120.0° |
| O09 | C08 | C05 | 121.6° | 120.0° |
| C12 | C07 | C08 | 118.9° | 109.5° |
| C07 | C12 | C17 | 120.9° | 119.9° |
| C07 | C12 | C13 | 118.9° | 120.0° |
| C12 | C07 | H3 | 107.0° | 109.5° |
| C12 | C07 | H4 | 107.1° | 109.5° |
| C07 | C08 | C05 | 119.1° | 120.0° |
| C08 | C07 | H3 | 107.1° | 109.5° |
| C08 | C07 | H4 | 107.1° | 109.4° |
| C17 | C12 | C13 | 120.2° | 120.1° |
| C12 | C17 | C16 | 119.9° | 120.1° |
| C12 | C17 | H10 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.1° |
| C12 | C13 | H7 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.8° | 119.9° |
| C17 | C16 | H9 | 120.1° | 120.0° |
| C16 | C17 | H10 | 120.1° | 120.0° |
| C08 | C05 | C06 | 117.6° | 120.1° |
| C08 | C05 | C04 | 123.2° | 120.2° |
| C13 | C14 | C15 | 119.9° | 119.9° |
| C14 | C13 | H7 | 120.0° | 119.9° |
| C13 | C14 | H8 | 120.0° | 120.1° |
| C16 | C15 | C14 | 120.1° | 119.9° |
| C16 | C15 | O18 | 120.6° | 120.0° |
| C15 | C16 | H9 | 120.1° | 120.1° |
| C14 | C15 | O18 | 119.2° | 120.1° |
| C15 | C14 | H8 | 120.1° | 120.0° |
| C15 | O18 | C19 | 119.0° | 117.0° |
| O18 | C19 | H11 | 109.5° | 109.5° |
| O18 | C19 | H12 | 109.5° | 109.5° |
| O18 | C19 | H13 | 109.5° | 109.5° |
| C06 | C05 | C04 | 119.2° | 119.7° |
| C05 | C06 | C03 | 120.1° | 120.0° |
| C05 | C06 | H2 | 119.9° | 120.0° |
| C05 | C04 | O10 | 121.2° | 120.2° |
| C05 | C04 | C01 | 120.2° | 119.6° |
| O10 | C04 | C01 | 118.6° | 120.2° |
| C04 | O10 | H5 | 109.5° | 114.0° |
| C06 | C03 | CL | 118.8° | 119.8° |
| C06 | C03 | C02 | 121.1° | 120.4° |
| C03 | C06 | H2 | 119.9° | 120.0° |
| C04 | C01 | C02 | 120.4° | 120.0° |
| C04 | C01 | H1 | 119.8° | 120.0° |
| CL | C03 | C02 | 120.1° | 119.8° |
| C03 | C02 | C01 | 119.0° | 120.3° |
| C03 | C02 | O11 | 120.7° | 119.8° |
| C01 | C02 | O11 | 120.3° | 119.8° |
| C02 | C01 | H1 | 119.8° | 120.0° |
| C02 | O11 | H6 | 109.5° | 114.0° |
| H3 | C07 | H4 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.4° |
| H12 | C19 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | C12 | 92.5° | 0.0° |
| O09 | C08 | C07 | C05 | 178.9° | 180.0° |
| O09 | C08 | C05 | C06 | 158.6° | 180.0° |
| O09 | C08 | C05 | C04 | 24.4° | 0.8° |
| O09 | C08 | C07 | H3 | 28.8° | 120.0° |
| O09 | C08 | C07 | H4 | 146.1° | 120.0° |
| C12 | C07 | C08 | H3 | 121.3° | 120.0° |
| C12 | C07 | C08 | H4 | 121.4° | 120.0° |
| C07 | C12 | C17 | C13 | 179.8° | 179.7° |
| C07 | C12 | C17 | C16 | 179.9° | 179.8° |
| C12 | C07 | C08 | C05 | 88.6° | 180.0° |
| C07 | C12 | C13 | C14 | 179.9° | 180.0° |
| C12 | C07 | H3 | H4 | 115.7° | 120.0° |
| C07 | C12 | C13 | H7 | 0.1° | 0.0° |
| C07 | C12 | C17 | H10 | 0.0° | 0.0° |
| C08 | C07 | C12 | C17 | 42.0° | 90.0° |
| C08 | C07 | C12 | C13 | 137.8° | 89.7° |
| C07 | C08 | C05 | C06 | 20.2° | 0.0° |
| C07 | C08 | C05 | C04 | 156.7° | 179.2° |
| C08 | C07 | H3 | H4 | 115.7° | 119.9° |
| C12 | C17 | C16 | H10 | 180.0° | 179.8° |
| C17 | C12 | C13 | C14 | 0.3° | 0.2° |
| C12 | C17 | C16 | C15 | 0.4° | 0.5° |
| C17 | C12 | C07 | H3 | 79.4° | 30.0° |
| C17 | C12 | C07 | H4 | 163.4° | 150.0° |
| C17 | C12 | C13 | H7 | 179.8° | 179.7° |
| C12 | C17 | C16 | H9 | 179.7° | 179.7° |
| C13 | C12 | C17 | C16 | 0.1° | 0.5° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C07 | H3 | 100.8° | 150.3° |
| C13 | C12 | C07 | H4 | 16.5° | 30.2° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C13 | C12 | C17 | H10 | 179.9° | 179.7° |
| C17 | C16 | C15 | H9 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.7° | 0.2° |
| C17 | C16 | C15 | O18 | 179.5° | 179.8° |
| C08 | C05 | C06 | C04 | 177.1° | 179.2° |
| C08 | C05 | C04 | O10 | 3.3° | 0.2° |
| C08 | C05 | C06 | C03 | 178.0° | 180.0° |
| C08 | C05 | C04 | C01 | 178.0° | 179.7° |
| C08 | C05 | C06 | H2 | 2.0° | 0.8° |
| C05 | C08 | C07 | H3 | 150.0° | 60.0° |
| C05 | C08 | C07 | H4 | 32.7° | 60.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.1° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | O18 | 179.4° | 180.0° |
| C16 | C15 | C14 | O18 | 178.9° | 180.0° |
| C16 | C15 | O18 | C19 | 130.8° | 0.0° |
| C16 | C15 | C14 | H8 | 179.4° | 180.0° |
| C15 | C16 | C17 | H10 | 179.7° | 179.7° |
| C14 | C15 | O18 | C19 | 48.1° | 180.0° |
| C15 | C14 | C13 | H7 | 179.9° | 180.0° |
| C14 | C15 | C16 | H9 | 179.3° | 180.0° |
| O18 | C15 | C14 | H8 | 0.6° | 0.0° |
| O18 | C15 | C16 | H9 | 0.5° | 0.1° |
| C15 | O18 | C19 | H11 | 180.0° | 180.0° |
| C15 | O18 | C19 | H12 | 60.0° | 60.0° |
| C15 | O18 | C19 | H13 | 60.0° | 60.0° |
| O18 | C19 | H11 | H12 | 120.0° | 120.0° |
| O18 | C19 | H11 | H13 | 120.0° | 120.0° |
| O18 | C19 | H12 | H13 | 120.0° | 120.1° |
| C06 | C05 | C04 | O10 | 179.8° | 179.5° |
| C05 | C06 | C03 | H2 | 180.0° | 179.2° |
| C06 | C05 | C04 | C01 | 1.1° | 0.5° |
| C05 | C06 | C03 | CL | 179.9° | 179.5° |
| C05 | C06 | C03 | C02 | 0.5° | 0.5° |
| C05 | C04 | O10 | C01 | 178.7° | 180.0° |
| C04 | C05 | C06 | C03 | 0.9° | 0.8° |
| C05 | C04 | C01 | C02 | 0.8° | 0.0° |
| C05 | C04 | C01 | H1 | 179.2° | 179.7° |
| C04 | C05 | C06 | H2 | 179.1° | 180.0° |
| C05 | C04 | O10 | H5 | 6.2° | 90.0° |
| O10 | C04 | C01 | C02 | 179.6° | 180.0° |
| O10 | C04 | C01 | H1 | 0.4° | 0.3° |
| C06 | C03 | CL | C02 | 179.4° | 180.0° |
| C06 | C03 | C02 | C01 | 0.3° | 0.0° |
| C06 | C03 | C02 | O11 | 178.5° | 180.0° |
| C04 | C01 | C02 | C03 | 0.4° | 0.3° |
| C04 | C01 | C02 | H1 | 180.0° | 179.7° |
| C04 | C01 | C02 | O11 | 178.3° | 179.8° |
| C01 | C04 | O10 | H5 | 172.5° | 90.0° |
| CL | C03 | C02 | C01 | 179.7° | 180.0° |
| CL | C03 | C02 | O11 | 0.9° | 0.0° |
| CL | C03 | C06 | H2 | 0.1° | 0.3° |
| C03 | C02 | C01 | O11 | 178.7° | 180.0° |
| C03 | C02 | C01 | H1 | 179.6° | 180.0° |
| C02 | C03 | C06 | H2 | 179.5° | 179.7° |
| C03 | C02 | O11 | H6 | 180.0° | 90.1° |
| C01 | C02 | O11 | H6 | 1.3° | 90.0° |
| O11 | C02 | C01 | H1 | 1.7° | 0.0° |
| H7 | C13 | C14 | H8 | 0.1° | 0.1° |
| H9 | C16 | C17 | H10 | 0.3° | 0.1° |
| H11 | C19 | H12 | H13 | 120.0° | 119.9° |
