7JG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F14 | C11 | sing | 1.35Å | 1.36Å | |
| C15 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| F26 | C23 | sing | 1.35Å | 1.36Å | |
| C25 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C7 | sing | 1.48Å | 1.50Å | |
| C8 | C4 | sing | 1.48Å | 1.48Å | |
| C8 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C19 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | O6 | sing | 1.36Å | 1.34Å | |
| O20 | C19 | doub | 1.22Å | 1.23Å | |
| C19 | N18 | sing | 1.35Å | 1.38Å | |
| C1 | N16 | sing | 1.36Å | 1.40Å | |
| N18 | C17 | sing | 1.36Å | 1.37Å | |
| N16 | C17 | doub | 1.30Å | 1.29Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N18 | H11 | sing | 0.97Å | 1.00Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F14 | C11 | C15 | 119.4° | 119.9° |
| F14 | C11 | C10 | 118.9° | 119.9° |
| C11 | C15 | C12 | 119.6° | 120.1° |
| C15 | C11 | C10 | 121.7° | 120.2° |
| C11 | C15 | H3 | 120.2° | 120.0° |
| C15 | C12 | C13 | 120.2° | 119.9° |
| C12 | C15 | H3 | 120.2° | 120.0° |
| C15 | C12 | H10 | 119.9° | 120.0° |
| C11 | C10 | C9 | 119.2° | 120.1° |
| C11 | C10 | H2 | 120.4° | 119.9° |
| C12 | C13 | C9 | 119.6° | 119.8° |
| C12 | C13 | C7 | 120.6° | 120.1° |
| C13 | C12 | H10 | 119.9° | 120.1° |
| C25 | C24 | C23 | 118.1° | 120.1° |
| C24 | C25 | C8 | 119.2° | 119.9° |
| C25 | C24 | H7 | 120.9° | 120.0° |
| C24 | C25 | H12 | 120.4° | 120.0° |
| C24 | C23 | F26 | 118.8° | 119.8° |
| C24 | C23 | C22 | 123.1° | 120.3° |
| C23 | C24 | H7 | 120.9° | 119.9° |
| F26 | C23 | C22 | 118.1° | 119.9° |
| C25 | C8 | C4 | 122.1° | 120.2° |
| C25 | C8 | C21 | 120.0° | 119.8° |
| C8 | C25 | H12 | 120.4° | 120.1° |
| C23 | C22 | C21 | 117.9° | 120.1° |
| C23 | C22 | H6 | 121.1° | 119.9° |
| C10 | C9 | C13 | 119.6° | 119.9° |
| C9 | C10 | H2 | 120.4° | 120.0° |
| C10 | C9 | H9 | 120.2° | 120.0° |
| C9 | C13 | C7 | 119.8° | 120.1° |
| C13 | C9 | H9 | 120.2° | 120.0° |
| C13 | C7 | C4 | 122.2° | 119.9° |
| C13 | C7 | C5 | 116.6° | 119.9° |
| C4 | C8 | C21 | 117.8° | 120.1° |
| C8 | C4 | C7 | 117.3° | 120.3° |
| C8 | C4 | C2 | 125.5° | 120.3° |
| C8 | C21 | C22 | 121.7° | 119.9° |
| C8 | C21 | H5 | 119.2° | 120.1° |
| C4 | C7 | C5 | 121.2° | 120.2° |
| C7 | C4 | C2 | 117.2° | 119.3° |
| C7 | C5 | C3 | 120.8° | 120.8° |
| C7 | C5 | H1 | 119.6° | 119.6° |
| C22 | C21 | H5 | 119.2° | 120.0° |
| C21 | C22 | H6 | 121.1° | 120.0° |
| C4 | C2 | C19 | 122.8° | 121.8° |
| C4 | C2 | C1 | 121.0° | 120.1° |
| C5 | C3 | C1 | 118.8° | 120.0° |
| C5 | C3 | O6 | 121.3° | 120.0° |
| C3 | C5 | H1 | 119.6° | 119.6° |
| C19 | C2 | C1 | 115.9° | 118.1° |
| C2 | C19 | O20 | 126.5° | 121.3° |
| C2 | C19 | N18 | 117.4° | 117.4° |
| C2 | C1 | C3 | 121.0° | 119.6° |
| C2 | C1 | N16 | 122.8° | 119.0° |
| C1 | C3 | O6 | 119.9° | 120.0° |
| C3 | C1 | N16 | 116.2° | 121.4° |
| C3 | O6 | H8 | 109.5° | 114.0° |
| O20 | C19 | N18 | 116.0° | 121.2° |
| C19 | N18 | C17 | 122.1° | 120.6° |
| C19 | N18 | H11 | 118.9° | 119.7° |
| C1 | N16 | C17 | 118.8° | 121.6° |
| N18 | C17 | N16 | 122.7° | 123.3° |
| N18 | C17 | H4 | 118.6° | 118.4° |
| C17 | N18 | H11 | 119.0° | 119.7° |
| N16 | C17 | H4 | 118.6° | 118.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F14 | C11 | C15 | C10 | 180.0° | 179.9° |
| F14 | C11 | C15 | C12 | 178.7° | 179.4° |
| F14 | C11 | C10 | C9 | 178.0° | 179.9° |
| F14 | C11 | C10 | H2 | 2.1° | 0.3° |
| F14 | C11 | C15 | H3 | 1.4° | 0.1° |
| C11 | C15 | C12 | H3 | 180.0° | 179.3° |
| C11 | C15 | C12 | C13 | 1.2° | 0.9° |
| C15 | C11 | C10 | C9 | 2.0° | 0.0° |
| C15 | C11 | C10 | H2 | 178.0° | 179.7° |
| C11 | C15 | C12 | H10 | 178.7° | 180.0° |
| C12 | C15 | C11 | C10 | 1.3° | 0.6° |
| C15 | C12 | C13 | H10 | 180.0° | 179.1° |
| C15 | C12 | C13 | C9 | 1.9° | 0.6° |
| C15 | C12 | C13 | C7 | 178.4° | 179.4° |
| C11 | C10 | C9 | H2 | 180.0° | 179.7° |
| C11 | C10 | C9 | C13 | 2.7° | 0.3° |
| C10 | C11 | C15 | H3 | 178.7° | 180.0° |
| C11 | C10 | C9 | H9 | 177.3° | 179.8° |
| C12 | C13 | C9 | C10 | 2.6° | 0.0° |
| C12 | C13 | C9 | C7 | 179.7° | 180.0° |
| C12 | C13 | C7 | C4 | 55.2° | 56.1° |
| C12 | C13 | C7 | C5 | 125.0° | 123.9° |
| C13 | C12 | C15 | H3 | 178.7° | 179.7° |
| C12 | C13 | C9 | H9 | 177.4° | 179.9° |
| C25 | C24 | C23 | H7 | 180.0° | 179.5° |
| C25 | C24 | C23 | F26 | 177.8° | 180.0° |
| C24 | C25 | C8 | H12 | 180.0° | 179.5° |
| C25 | C24 | C23 | C22 | 0.6° | 0.3° |
| C24 | C25 | C8 | C4 | 176.5° | 179.7° |
| C24 | C25 | C8 | C21 | 1.2° | 0.5° |
| C24 | C23 | F26 | C22 | 177.3° | 179.7° |
| C23 | C24 | C25 | C8 | 1.1° | 0.6° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H6 | 179.7° | 180.0° |
| C23 | C24 | C25 | H12 | 178.9° | 180.0° |
| F26 | C23 | C22 | C21 | 177.5° | 179.7° |
| F26 | C23 | C22 | H6 | 2.5° | 0.3° |
| F26 | C23 | C24 | H7 | 2.2° | 0.5° |
| C25 | C8 | C4 | C21 | 177.8° | 179.8° |
| C25 | C8 | C4 | C7 | 107.6° | 70.3° |
| C25 | C8 | C21 | C22 | 0.9° | 0.3° |
| C25 | C8 | C4 | C2 | 73.5° | 109.4° |
| C25 | C8 | C21 | H5 | 179.1° | 179.8° |
| C8 | C25 | C24 | H7 | 178.9° | 180.0° |
| C23 | C22 | C21 | C8 | 0.4° | 0.0° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | H5 | 179.6° | 180.0° |
| C22 | C23 | C24 | H7 | 179.4° | 179.8° |
| C10 | C9 | C13 | H9 | 180.0° | 179.9° |
| C10 | C9 | C13 | C7 | 177.7° | 180.0° |
| C9 | C13 | C7 | C4 | 124.5° | 124.0° |
| C9 | C13 | C7 | C5 | 55.3° | 56.1° |
| C13 | C9 | C10 | H2 | 177.3° | 180.0° |
| C9 | C13 | C12 | H10 | 178.1° | 179.7° |
| C13 | C7 | C4 | C8 | 2.7° | 0.3° |
| C13 | C7 | C4 | C5 | 179.8° | 180.0° |
| C13 | C7 | C4 | C2 | 178.3° | 180.0° |
| C13 | C7 | C5 | C3 | 179.4° | 180.0° |
| C13 | C7 | C5 | H1 | 0.6° | 0.0° |
| C7 | C13 | C9 | H9 | 2.3° | 0.1° |
| C7 | C13 | C12 | H10 | 1.6° | 0.3° |
| C8 | C4 | C7 | C2 | 179.0° | 179.7° |
| C8 | C4 | C7 | C5 | 177.1° | 179.7° |
| C4 | C8 | C21 | C22 | 176.9° | 180.0° |
| C8 | C4 | C2 | C19 | 2.5° | 0.2° |
| C8 | C4 | C2 | C1 | 177.0° | 179.7° |
| C4 | C8 | C21 | H5 | 3.1° | 0.0° |
| C4 | C8 | C25 | H12 | 3.5° | 0.2° |
| C21 | C8 | C4 | C7 | 70.2° | 109.5° |
| C8 | C21 | C22 | H5 | 180.0° | 180.0° |
| C21 | C8 | C4 | C2 | 108.7° | 70.8° |
| C8 | C21 | C22 | H6 | 179.6° | 180.0° |
| C21 | C8 | C25 | H12 | 178.8° | 180.0° |
| C4 | C7 | C5 | C3 | 0.8° | 0.0° |
| C7 | C4 | C2 | C19 | 176.4° | 179.9° |
| C7 | C4 | C2 | C1 | 1.9° | 0.0° |
| C4 | C7 | C5 | H1 | 179.2° | 180.0° |
| C5 | C7 | C4 | C2 | 1.9° | 0.0° |
| C7 | C5 | C3 | H1 | 180.0° | 180.0° |
| C7 | C5 | C3 | C1 | 0.4° | 0.1° |
| C7 | C5 | C3 | O6 | 179.5° | 180.0° |
| C4 | C2 | C19 | C1 | 174.8° | 179.9° |
| C4 | C2 | C1 | C3 | 0.8° | 0.1° |
| C4 | C2 | C19 | O20 | 2.1° | 0.0° |
| C4 | C2 | C19 | N18 | 179.3° | 180.0° |
| C4 | C2 | C1 | N16 | 176.8° | 180.0° |
| C5 | C3 | C1 | C2 | 0.4° | 0.1° |
| C5 | C3 | C1 | O6 | 179.9° | 180.0° |
| C5 | C3 | C1 | N16 | 178.1° | 179.9° |
| C5 | C3 | O6 | H8 | 180.0° | 90.0° |
| C19 | C2 | C1 | C3 | 175.7° | 180.0° |
| C2 | C19 | O20 | N18 | 177.2° | 180.0° |
| C19 | C2 | C1 | N16 | 1.9° | 0.0° |
| C2 | C19 | N18 | C17 | 4.9° | 0.0° |
| C2 | C19 | N18 | H11 | 175.1° | 180.0° |
| C2 | C1 | C3 | N16 | 177.7° | 180.0° |
| C2 | C1 | C3 | O6 | 179.5° | 180.0° |
| C1 | C2 | C19 | O20 | 172.7° | 180.0° |
| C1 | C2 | C19 | N18 | 4.5° | 0.0° |
| C2 | C1 | N16 | C17 | 0.7° | 0.0° |
| C3 | C1 | N16 | C17 | 178.4° | 180.0° |
| C1 | C3 | C5 | H1 | 179.6° | 180.0° |
| C1 | C3 | O6 | H8 | 0.1° | 90.0° |
| O6 | C3 | C1 | N16 | 1.8° | 0.0° |
| O6 | C3 | C5 | H1 | 0.6° | 0.0° |
| O20 | C19 | N18 | C17 | 172.6° | 180.0° |
| O20 | C19 | N18 | H11 | 7.4° | 0.0° |
| C19 | N18 | C17 | H11 | 180.0° | 180.0° |
| C19 | N18 | C17 | N16 | 2.3° | 0.1° |
| C19 | N18 | C17 | H4 | 177.7° | 180.0° |
| C1 | N16 | C17 | N18 | 0.6° | 0.0° |
| C1 | N16 | C17 | H4 | 179.4° | 180.0° |
| N18 | C17 | N16 | H4 | 180.0° | 179.9° |
| N16 | C17 | N18 | H11 | 177.7° | 179.9° |
| H2 | C10 | C9 | H9 | 2.7° | 0.1° |
| H3 | C15 | C12 | H10 | 1.3° | 0.6° |
| H4 | C17 | N18 | H11 | 2.3° | 0.0° |
| H5 | C21 | C22 | H6 | 0.4° | 0.0° |
| H7 | C24 | C25 | H12 | 1.1° | 0.5° |
