FGT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C8 | C1 | sing | 1.47Å | 1.44Å | |
| C8 | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | O2 | sing | 1.34Å | 1.38Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C15 | sing | 1.51Å | 1.50Å | |
| C2 | C9 | sing | 1.51Å | 1.50Å | |
| C18 | O4 | sing | 1.36Å | 1.38Å | |
| C18 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | O3 | sing | 1.36Å | 1.38Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 115.7° | 119.8° |
| C7 | C6 | C5 | 118.4° | 120.3° |
| C7 | C6 | H3 | 120.8° | 119.8° |
| C6 | C7 | H4 | 122.2° | 120.1° |
| C7 | C8 | C1 | 123.6° | 132.5° |
| C7 | C8 | C3 | 127.0° | 119.4° |
| C8 | C7 | H4 | 122.1° | 120.1° |
| C6 | C5 | C4 | 124.2° | 120.2° |
| C6 | C5 | H2 | 117.9° | 119.9° |
| C5 | C6 | H3 | 120.8° | 119.8° |
| O1 | C1 | C8 | 122.3° | 124.9° |
| O1 | C1 | O2 | 132.1° | 124.9° |
| C1 | C8 | C3 | 109.4° | 108.0° |
| C8 | C1 | O2 | 105.6° | 110.2° |
| C8 | C3 | C4 | 117.1° | 120.3° |
| C8 | C3 | C2 | 110.7° | 106.3° |
| C5 | C4 | C3 | 117.5° | 120.0° |
| C5 | C4 | H1 | 121.3° | 120.0° |
| C4 | C5 | H2 | 117.9° | 119.9° |
| C1 | O2 | C2 | 113.3° | 109.0° |
| C20 | C19 | C18 | 119.2° | 120.0° |
| C19 | C20 | C15 | 121.1° | 120.0° |
| C20 | C19 | H13 | 120.4° | 120.0° |
| C19 | C20 | H14 | 119.4° | 120.0° |
| C19 | C18 | O4 | 119.8° | 120.1° |
| C19 | C18 | C17 | 121.2° | 119.9° |
| C18 | C19 | H13 | 120.4° | 120.0° |
| C20 | C15 | C2 | 119.8° | 119.9° |
| C20 | C15 | C16 | 118.4° | 120.1° |
| C15 | C20 | H14 | 119.5° | 120.0° |
| C4 | C3 | C2 | 132.2° | 133.4° |
| C3 | C4 | H1 | 121.3° | 120.0° |
| C3 | C2 | O2 | 100.7° | 106.4° |
| C3 | C2 | C15 | 116.5° | 110.1° |
| C3 | C2 | C9 | 111.9° | 110.0° |
| O2 | C2 | C15 | 107.9° | 110.1° |
| O2 | C2 | C9 | 108.5° | 110.1° |
| C15 | C2 | C9 | 110.6° | 110.1° |
| C2 | C15 | C16 | 121.7° | 120.0° |
| C2 | C9 | C14 | 121.4° | 119.9° |
| C2 | C9 | C10 | 120.1° | 119.9° |
| O4 | C18 | C17 | 119.1° | 120.0° |
| C18 | O4 | H12 | 109.5° | 114.0° |
| C18 | C17 | C16 | 118.6° | 120.0° |
| C18 | C17 | H11 | 120.7° | 120.1° |
| C15 | C16 | C17 | 121.5° | 120.1° |
| C15 | C16 | H10 | 119.3° | 119.9° |
| C17 | C16 | H10 | 119.2° | 120.0° |
| C16 | C17 | H11 | 120.7° | 120.0° |
| C14 | C9 | C10 | 118.6° | 120.1° |
| C9 | C14 | C13 | 121.8° | 120.1° |
| C9 | C14 | H9 | 119.2° | 120.0° |
| C9 | C10 | C11 | 120.6° | 120.1° |
| C9 | C10 | H5 | 119.7° | 120.0° |
| C14 | C13 | C12 | 118.6° | 119.9° |
| C14 | C13 | H8 | 120.7° | 120.0° |
| C13 | C14 | H9 | 119.1° | 119.9° |
| C10 | C11 | C12 | 119.3° | 119.9° |
| C11 | C10 | H5 | 119.7° | 120.0° |
| C10 | C11 | H6 | 120.4° | 120.0° |
| C13 | C12 | C11 | 121.2° | 119.9° |
| C13 | C12 | O3 | 117.7° | 120.0° |
| C12 | C13 | H8 | 120.7° | 120.1° |
| C11 | C12 | O3 | 121.2° | 120.1° |
| C12 | C11 | H6 | 120.3° | 120.0° |
| C12 | O3 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | C1 | 179.9° | 180.0° |
| C6 | C7 | C8 | C3 | 0.6° | 0.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C7 | C6 | C5 | H2 | 179.8° | 180.0° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C7 | C8 | C1 | O1 | 3.0° | 0.3° |
| C7 | C8 | C1 | C3 | 179.4° | 180.0° |
| C7 | C8 | C1 | O2 | 176.1° | 180.0° |
| C7 | C8 | C3 | C4 | 0.0° | 0.0° |
| C7 | C8 | C3 | C2 | 179.8° | 179.9° |
| C8 | C7 | C6 | H3 | 179.5° | 179.9° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C6 | C5 | C4 | H1 | 179.2° | 179.9° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| O1 | C1 | C8 | O2 | 179.1° | 179.7° |
| O1 | C1 | C8 | C3 | 176.4° | 179.7° |
| O1 | C1 | O2 | C2 | 174.3° | 179.8° |
| C1 | C8 | C3 | C4 | 179.4° | 180.0° |
| C1 | C8 | C3 | C2 | 0.8° | 0.0° |
| C8 | C1 | O2 | C2 | 6.7° | 0.0° |
| C1 | C8 | C7 | H4 | 0.0° | 0.0° |
| C8 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C8 | C1 | O2 | 4.5° | 0.0° |
| C8 | C3 | C4 | C2 | 179.7° | 180.0° |
| C8 | C3 | C2 | O2 | 3.0° | 0.0° |
| C8 | C3 | C2 | C15 | 113.3° | 119.2° |
| C8 | C3 | C2 | C9 | 118.0° | 119.3° |
| C8 | C3 | C4 | H1 | 179.3° | 179.9° |
| C3 | C8 | C7 | H4 | 179.4° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.0° | 180.0° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C1 | O2 | C2 | C3 | 6.0° | 0.0° |
| C1 | O2 | C2 | C15 | 116.6° | 119.3° |
| C1 | O2 | C2 | C9 | 123.6° | 119.2° |
| C20 | C19 | C18 | H13 | 180.0° | 179.3° |
| C19 | C20 | C15 | H14 | 180.0° | 179.3° |
| C19 | C20 | C15 | C2 | 179.1° | 179.6° |
| C20 | C19 | C18 | O4 | 179.1° | 179.5° |
| C20 | C19 | C18 | C17 | 0.2° | 0.4° |
| C19 | C20 | C15 | C16 | 1.4° | 0.4° |
| C18 | C19 | C20 | C15 | 0.6° | 0.7° |
| C19 | C18 | O4 | C17 | 178.9° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.1° |
| C19 | C18 | C17 | H11 | 179.9° | 180.0° |
| C18 | C19 | C20 | H14 | 179.4° | 180.0° |
| C19 | C18 | O4 | H12 | 180.0° | 90.1° |
| C20 | C15 | C2 | C3 | 69.2° | 30.8° |
| C20 | C15 | C2 | O2 | 43.0° | 147.8° |
| C20 | C15 | C2 | C16 | 177.6° | 180.0° |
| C20 | C15 | C2 | C9 | 161.5° | 90.7° |
| C20 | C15 | C16 | C17 | 1.5° | 0.1° |
| C20 | C15 | C16 | H10 | 178.5° | 179.7° |
| C15 | C20 | C19 | H13 | 179.4° | 180.0° |
| C4 | C3 | C2 | O2 | 176.7° | 180.0° |
| C4 | C3 | C2 | C15 | 67.0° | 60.8° |
| C4 | C3 | C2 | C9 | 61.7° | 60.7° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C3 | C2 | O2 | C15 | 122.6° | 119.3° |
| C3 | C2 | O2 | C9 | 117.6° | 119.2° |
| C3 | C2 | C15 | C9 | 129.2° | 121.5° |
| C3 | C2 | C15 | C16 | 113.2° | 149.2° |
| C3 | C2 | C9 | C14 | 44.0° | 149.2° |
| C3 | C2 | C9 | C10 | 137.1° | 30.8° |
| C2 | C3 | C4 | H1 | 1.0° | 0.0° |
| O2 | C2 | C15 | C9 | 118.5° | 121.5° |
| O2 | C2 | C15 | C16 | 134.6° | 32.2° |
| O2 | C2 | C9 | C14 | 154.2° | 32.3° |
| O2 | C2 | C9 | C10 | 26.9° | 147.8° |
| C2 | C15 | C16 | C17 | 179.1° | 180.0° |
| C15 | C2 | C9 | C14 | 87.7° | 89.3° |
| C15 | C2 | C9 | C10 | 91.2° | 90.7° |
| C2 | C15 | C16 | H10 | 0.9° | 0.3° |
| C2 | C15 | C20 | H14 | 0.9° | 0.2° |
| C9 | C2 | C15 | C16 | 16.1° | 89.3° |
| C2 | C9 | C14 | C10 | 179.0° | 179.9° |
| C2 | C9 | C14 | C13 | 179.3° | 179.6° |
| C2 | C9 | C10 | C11 | 179.7° | 179.9° |
| C2 | C9 | C10 | H5 | 0.3° | 0.2° |
| C2 | C9 | C14 | H9 | 0.8° | 0.3° |
| O4 | C18 | C17 | C16 | 179.0° | 180.0° |
| O4 | C18 | C17 | H11 | 1.0° | 0.1° |
| O4 | C18 | C19 | H13 | 0.9° | 0.2° |
| C18 | C17 | C16 | C15 | 0.8° | 0.3° |
| C18 | C17 | C16 | H11 | 180.0° | 180.0° |
| C18 | C17 | C16 | H10 | 179.3° | 180.0° |
| C17 | C18 | C19 | H13 | 179.8° | 179.7° |
| C17 | C18 | O4 | H12 | 1.1° | 90.0° |
| C15 | C16 | C17 | H10 | 180.0° | 179.7° |
| C15 | C16 | C17 | H11 | 179.2° | 179.7° |
| C16 | C15 | C20 | H14 | 178.6° | 179.8° |
| C9 | C14 | C13 | H9 | 180.0° | 179.2° |
| C14 | C9 | C10 | C11 | 0.7° | 0.0° |
| C9 | C14 | C13 | C12 | 0.4° | 0.7° |
| C14 | C9 | C10 | H5 | 179.3° | 179.7° |
| C9 | C14 | C13 | H8 | 179.6° | 179.7° |
| C10 | C9 | C14 | C13 | 0.3° | 0.5° |
| C9 | C10 | C11 | H5 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.2° |
| C9 | C10 | C11 | H6 | 179.5° | 179.8° |
| C10 | C9 | C14 | H9 | 179.7° | 179.7° |
| C14 | C13 | C12 | H8 | 180.0° | 179.6° |
| C14 | C13 | C12 | C11 | 0.7° | 0.5° |
| C14 | C13 | C12 | O3 | 179.4° | 179.6° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | O3 | 179.8° | 180.0° |
| C13 | C12 | C11 | O3 | 179.9° | 180.0° |
| C13 | C12 | C11 | H6 | 179.7° | 180.0° |
| C12 | C13 | C14 | H9 | 179.6° | 180.0° |
| C13 | C12 | O3 | H7 | 180.0° | 90.0° |
| C12 | C11 | C10 | H5 | 179.6° | 180.0° |
| C11 | C12 | C13 | H8 | 179.3° | 180.0° |
| C11 | C12 | O3 | H7 | 0.1° | 90.0° |
| O3 | C12 | C11 | H6 | 0.2° | 0.0° |
| O3 | C12 | C13 | H8 | 0.6° | 0.0° |
| H10 | C16 | C17 | H11 | 0.8° | 0.0° |
| H5 | C10 | C11 | H6 | 0.4° | 0.0° |
| H8 | C13 | C14 | H9 | 0.5° | 0.5° |
| H13 | C19 | C20 | H14 | 0.6° | 0.7° |
| H1 | C4 | C5 | H2 | 0.8° | 0.1° |
| H2 | C5 | C6 | H3 | 0.2° | 0.0° |
| H3 | C6 | C7 | H4 | 0.5° | 0.0° |
