7FJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.35Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.40Å | |
| C07 | C08 | sing | 1.51Å | 1.39Å | |
| C01 | C09 | sing | 1.51Å | 1.39Å | |
| C08 | C09 | sing | 1.51Å | 1.40Å | |
| C09 | C10 | doub | 1.34Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.42Å | |
| C10 | C17 | sing | 1.48Å | 1.41Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | O01 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | O02 | sing | 1.36Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| O01 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| O02 | H18 | sing | 0.97Å | 0.95Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 119.5° | 119.9° |
| C04 | C05 | C06 | 118.7° | 119.9° |
| C05 | C04 | H4 | 120.2° | 120.1° |
| C04 | C05 | H5 | 120.6° | 120.1° |
| C04 | C03 | C02 | 119.1° | 120.2° |
| C04 | C03 | H3 | 120.5° | 119.9° |
| C03 | C04 | H4 | 120.3° | 120.0° |
| C05 | C06 | C07 | 119.2° | 120.2° |
| C06 | C05 | H5 | 120.6° | 120.0° |
| C05 | C06 | H6 | 120.4° | 119.9° |
| C03 | C02 | C07 | 121.4° | 119.9° |
| C03 | C02 | C01 | 130.1° | 130.3° |
| C02 | C03 | H3 | 120.5° | 119.9° |
| C06 | C07 | C02 | 122.0° | 119.9° |
| C06 | C07 | C08 | 129.7° | 130.3° |
| C07 | C06 | H6 | 120.4° | 119.9° |
| C07 | C02 | C01 | 108.5° | 109.9° |
| C02 | C07 | C08 | 108.3° | 109.9° |
| C02 | C01 | C09 | 106.4° | 107.3° |
| C02 | C01 | H1 | 110.2° | 109.9° |
| C02 | C01 | H2 | 110.2° | 110.0° |
| C07 | C08 | C09 | 106.6° | 107.3° |
| C07 | C08 | H7 | 110.2° | 109.9° |
| C07 | C08 | H8 | 110.2° | 109.9° |
| C01 | C09 | C08 | 106.9° | 105.6° |
| C01 | C09 | C10 | 125.7° | 127.2° |
| C09 | C01 | H1 | 110.2° | 109.8° |
| C09 | C01 | H2 | 110.2° | 109.9° |
| C08 | C09 | C10 | 126.0° | 127.2° |
| C09 | C08 | H7 | 110.2° | 109.8° |
| C09 | C08 | H8 | 110.2° | 109.9° |
| C09 | C10 | C11 | 123.9° | 120.0° |
| C09 | C10 | C17 | 120.2° | 120.0° |
| C13 | C12 | C11 | 120.8° | 119.9° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| C13 | C12 | H11 | 119.6° | 120.0° |
| C12 | C13 | H12 | 120.5° | 120.0° |
| C12 | C11 | C10 | 122.4° | 120.1° |
| C12 | C11 | C16 | 119.5° | 119.8° |
| C11 | C12 | H11 | 119.6° | 120.0° |
| C11 | C10 | C17 | 115.8° | 120.0° |
| C10 | C11 | C16 | 118.0° | 120.1° |
| C10 | C17 | C18 | 118.8° | 120.1° |
| C10 | C17 | C22 | 121.1° | 120.0° |
| C13 | C14 | O01 | 119.5° | 119.9° |
| C13 | C14 | C15 | 121.6° | 120.2° |
| C14 | C13 | H12 | 120.5° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | C22 | 120.0° | 119.8° |
| C17 | C18 | H16 | 119.9° | 120.0° |
| C18 | C19 | C20 | 119.2° | 120.1° |
| C19 | C18 | H16 | 119.9° | 120.0° |
| C18 | C19 | H17 | 120.4° | 120.0° |
| C11 | C16 | C15 | 119.8° | 120.0° |
| C11 | C16 | H15 | 120.1° | 120.0° |
| C17 | C22 | C21 | 119.8° | 119.9° |
| C17 | C22 | H20 | 120.1° | 120.0° |
| C19 | C20 | C21 | 121.7° | 120.1° |
| C19 | C20 | O02 | 119.1° | 119.9° |
| C20 | C19 | H17 | 120.4° | 120.0° |
| O01 | C14 | C15 | 118.9° | 119.9° |
| C14 | O01 | H13 | 109.5° | 114.0° |
| C14 | C15 | C16 | 119.2° | 120.0° |
| C14 | C15 | H14 | 120.4° | 120.0° |
| C22 | C21 | C20 | 119.1° | 120.1° |
| C22 | C21 | H19 | 120.4° | 119.9° |
| C21 | C22 | H20 | 120.1° | 120.1° |
| C16 | C15 | H14 | 120.4° | 120.0° |
| C15 | C16 | H15 | 120.1° | 120.0° |
| C21 | C20 | O02 | 119.3° | 119.9° |
| C20 | C21 | H19 | 120.4° | 119.9° |
| C20 | O02 | H18 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.9° |
| H7 | C08 | H8 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C04 | C03 | H3 | 179.8° | 180.0° |
| C04 | C05 | C06 | H6 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.4° | 0.0° |
| C04 | C03 | C02 | C01 | 179.8° | 179.9° |
| C03 | C04 | C05 | H5 | 179.9° | 180.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C05 | C06 | C07 | C02 | 0.2° | 0.0° |
| C05 | C06 | C07 | C08 | 179.6° | 179.9° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C03 | C02 | C07 | C06 | 0.5° | 0.0° |
| C03 | C02 | C07 | C01 | 179.5° | 179.9° |
| C03 | C02 | C07 | C08 | 179.9° | 179.9° |
| C03 | C02 | C01 | C09 | 169.0° | 179.9° |
| C03 | C02 | C01 | H1 | 71.4° | 60.7° |
| C03 | C02 | C01 | H2 | 49.5° | 60.4° |
| C02 | C03 | C04 | H4 | 179.8° | 180.0° |
| C06 | C07 | C02 | C08 | 179.5° | 179.9° |
| C06 | C07 | C02 | C01 | 179.9° | 179.9° |
| C06 | C07 | C08 | C09 | 168.9° | 179.9° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | H7 | 49.4° | 60.5° |
| C06 | C07 | C08 | H8 | 71.6° | 60.7° |
| C07 | C02 | C01 | C09 | 11.6° | 0.0° |
| C02 | C07 | C08 | C09 | 10.5° | 0.0° |
| C07 | C02 | C01 | H1 | 108.0° | 119.4° |
| C07 | C02 | C01 | H2 | 131.1° | 119.5° |
| C07 | C02 | C03 | H3 | 179.6° | 180.0° |
| C02 | C07 | C06 | H6 | 179.7° | 180.0° |
| C02 | C07 | C08 | H7 | 130.1° | 119.4° |
| C02 | C07 | C08 | H8 | 109.0° | 119.4° |
| C01 | C02 | C07 | C08 | 0.6° | 0.0° |
| C02 | C01 | C09 | H1 | 119.5° | 119.4° |
| C02 | C01 | C09 | H2 | 119.5° | 119.6° |
| C02 | C01 | C09 | C08 | 18.0° | 0.0° |
| C02 | C01 | C09 | C10 | 149.6° | 180.0° |
| C02 | C01 | H1 | H2 | 121.4° | 121.2° |
| C01 | C02 | C03 | H3 | 0.2° | 0.1° |
| C07 | C08 | C09 | C01 | 17.6° | 0.0° |
| C07 | C08 | C09 | H7 | 119.5° | 119.4° |
| C07 | C08 | C09 | H8 | 119.5° | 119.5° |
| C07 | C08 | C09 | C10 | 149.9° | 180.0° |
| C08 | C07 | C06 | H6 | 0.4° | 0.1° |
| C07 | C08 | H7 | H8 | 121.3° | 121.1° |
| C01 | C09 | C08 | C10 | 167.5° | 180.0° |
| C01 | C09 | C10 | C11 | 172.9° | 180.0° |
| C01 | C09 | C10 | C17 | 11.6° | 0.0° |
| C09 | C01 | H1 | H2 | 121.4° | 121.0° |
| C01 | C09 | C08 | H7 | 137.2° | 119.4° |
| C01 | C09 | C08 | H8 | 101.9° | 119.4° |
| C08 | C09 | C10 | C11 | 21.9° | 0.1° |
| C08 | C09 | C10 | C17 | 153.6° | 179.9° |
| C08 | C09 | C01 | H1 | 101.6° | 119.4° |
| C08 | C09 | C01 | H2 | 137.5° | 119.6° |
| C09 | C08 | H7 | H8 | 121.4° | 121.1° |
| C09 | C10 | C11 | C12 | 41.1° | 64.7° |
| C09 | C10 | C11 | C17 | 175.7° | 180.0° |
| C09 | C10 | C17 | C18 | 111.8° | 64.7° |
| C09 | C10 | C11 | C16 | 140.6° | 115.0° |
| C09 | C10 | C17 | C22 | 69.0° | 115.0° |
| C10 | C09 | C01 | H1 | 90.9° | 60.6° |
| C10 | C09 | C01 | H2 | 30.1° | 60.4° |
| C10 | C09 | C08 | H7 | 30.3° | 60.6° |
| C10 | C09 | C08 | H8 | 90.6° | 60.5° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 1.6° | 0.3° |
| C12 | C13 | C14 | O01 | 179.5° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C12 | C11 | C10 | C16 | 178.3° | 179.7° |
| C12 | C11 | C10 | C17 | 143.2° | 115.3° |
| C11 | C12 | C13 | C14 | 1.2° | 0.0° |
| C12 | C11 | C16 | C15 | 1.1° | 0.6° |
| C11 | C12 | C13 | H12 | 178.8° | 180.0° |
| C12 | C11 | C16 | H15 | 178.9° | 179.7° |
| C11 | C10 | C17 | C18 | 72.4° | 115.3° |
| C11 | C10 | C17 | C22 | 106.9° | 65.0° |
| C10 | C11 | C16 | C15 | 179.4° | 179.7° |
| C10 | C11 | C12 | H11 | 0.1° | 0.0° |
| C10 | C11 | C16 | H15 | 0.6° | 0.0° |
| C10 | C17 | C18 | C22 | 179.3° | 179.7° |
| C10 | C17 | C18 | C19 | 179.7° | 180.0° |
| C17 | C10 | C11 | C16 | 35.0° | 65.0° |
| C10 | C17 | C22 | C21 | 179.9° | 179.7° |
| C10 | C17 | C18 | H16 | 0.3° | 0.0° |
| C10 | C17 | C22 | H20 | 0.1° | 0.0° |
| C13 | C14 | O01 | C15 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.3° |
| C14 | C13 | C12 | H11 | 178.7° | 180.0° |
| C13 | C14 | O01 | H13 | 180.0° | 90.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C22 | C21 | 0.7° | 0.5° |
| C17 | C18 | C19 | H17 | 180.0° | 180.0° |
| C18 | C17 | C22 | H20 | 179.3° | 179.8° |
| C19 | C18 | C17 | C22 | 0.4° | 0.3° |
| C18 | C19 | C20 | H17 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | O02 | 179.9° | 180.0° |
| C11 | C16 | C15 | C14 | 0.3° | 0.6° |
| C11 | C16 | C15 | H15 | 180.0° | 179.7° |
| C16 | C11 | C12 | H11 | 178.4° | 179.7° |
| C11 | C16 | C15 | H14 | 179.7° | 179.7° |
| C17 | C22 | C21 | H20 | 180.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.6° | 0.6° |
| C22 | C17 | C18 | H16 | 179.6° | 179.7° |
| C17 | C22 | C21 | H19 | 179.4° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | O02 | 179.9° | 180.0° |
| C20 | C19 | C18 | H16 | 180.0° | 180.0° |
| C19 | C20 | O02 | H18 | 180.0° | 90.0° |
| C19 | C20 | C21 | H19 | 179.8° | 179.9° |
| O01 | C14 | C15 | C16 | 179.9° | 179.7° |
| O01 | C14 | C13 | H12 | 0.5° | 0.0° |
| O01 | C14 | C15 | H14 | 0.1° | 0.0° |
| C14 | C15 | C16 | H14 | 180.0° | 179.7° |
| C15 | C14 | C13 | H12 | 179.6° | 180.0° |
| C15 | C14 | O01 | H13 | 0.1° | 90.0° |
| C14 | C15 | C16 | H15 | 179.7° | 179.8° |
| C22 | C21 | C20 | H19 | 180.0° | 179.8° |
| C22 | C21 | C20 | O02 | 179.8° | 179.7° |
| C21 | C20 | C19 | H17 | 179.9° | 180.0° |
| C21 | C20 | O02 | H18 | 0.0° | 89.9° |
| C20 | C21 | C22 | H20 | 179.4° | 179.8° |
| O02 | C20 | C19 | H17 | 0.1° | 0.0° |
| O02 | C20 | C21 | H19 | 0.2° | 0.1° |
| H3 | C03 | C04 | H4 | 0.2° | 0.1° |
| H4 | C04 | C05 | H5 | 0.0° | 0.0° |
| H5 | C05 | C06 | H6 | 0.0° | 0.0° |
| H11 | C12 | C13 | H12 | 1.2° | 0.1° |
| H14 | C15 | C16 | H15 | 0.3° | 0.0° |
| H16 | C18 | C19 | H17 | 0.0° | 0.0° |
| H19 | C21 | C22 | H20 | 0.6° | 0.0° |
