GFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | sing | 1.36Å | 1.42Å | |
| O2 | C14 | sing | 1.43Å | 1.41Å | |
| CL1 | C10 | sing | 1.74Å | 1.69Å | |
| O3 | C15 | doub | 1.21Å | 1.25Å | |
| O1 | C7 | doub | 1.22Å | 1.21Å | |
| N1 | C16 | sing | 1.40Å | 1.40Å | |
| N1 | C15 | sing | 1.35Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.50Å | |
| C8 | C13 | sing | 1.40Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C6 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O2 | C14 | 121.8° | 117.0° |
| O2 | C13 | C12 | 122.9° | 120.1° |
| O2 | C13 | C8 | 116.2° | 120.2° |
| O2 | C14 | C15 | 111.3° | 109.5° |
| O2 | C14 | H14 | 108.8° | 109.5° |
| O2 | C14 | H14A | 108.5° | 109.5° |
| CL1 | C10 | C9 | 118.6° | 119.8° |
| CL1 | C10 | C11 | 118.2° | 119.9° |
| O3 | C15 | N1 | 126.6° | 119.9° |
| O3 | C15 | C14 | 117.5° | 120.0° |
| O1 | C7 | C8 | 120.5° | 120.0° |
| O1 | C7 | C6 | 117.3° | 120.0° |
| C16 | N1 | C15 | 130.1° | 120.0° |
| N1 | C16 | C21 | 124.7° | 120.1° |
| N1 | C16 | C17 | 115.7° | 120.1° |
| C16 | N1 | HN1 | 115.0° | 120.0° |
| N1 | C15 | C14 | 115.9° | 120.1° |
| C15 | N1 | HN1 | 115.0° | 119.9° |
| C13 | C12 | C11 | 119.6° | 120.1° |
| C12 | C13 | C8 | 120.9° | 119.7° |
| C13 | C12 | H12 | 120.2° | 119.9° |
| C12 | C11 | C10 | 119.5° | 120.4° |
| C11 | C12 | H12 | 120.2° | 119.9° |
| C12 | C11 | H11 | 120.3° | 119.8° |
| C9 | C8 | C7 | 120.5° | 120.2° |
| C9 | C8 | C13 | 118.4° | 119.6° |
| C8 | C9 | C10 | 118.4° | 119.9° |
| C8 | C9 | H9 | 120.8° | 120.0° |
| C7 | C8 | C13 | 121.0° | 120.2° |
| C8 | C7 | C6 | 122.3° | 120.0° |
| C9 | C10 | C11 | 123.2° | 120.3° |
| C10 | C9 | H9 | 120.8° | 120.1° |
| C7 | C6 | C1 | 121.6° | 120.2° |
| C7 | C6 | C5 | 119.8° | 120.1° |
| C1 | C6 | C5 | 118.6° | 119.7° |
| C6 | C1 | C2 | 120.2° | 119.8° |
| C6 | C1 | H1 | 119.9° | 120.1° |
| C6 | C5 | C4 | 120.9° | 119.9° |
| C6 | C5 | H5 | 119.6° | 120.1° |
| C1 | C2 | C3 | 120.1° | 120.2° |
| C2 | C1 | H1 | 119.9° | 120.1° |
| C1 | C2 | H2 | 119.9° | 119.9° |
| C10 | C11 | H11 | 120.2° | 119.8° |
| C16 | C21 | C20 | 119.9° | 119.9° |
| C21 | C16 | C17 | 119.6° | 119.8° |
| C16 | C21 | H21 | 120.1° | 120.1° |
| C21 | C20 | C19 | 119.8° | 120.1° |
| C20 | C21 | H21 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C15 | C14 | H14A | 108.5° | 109.4° |
| C16 | C17 | C18 | 120.1° | 119.9° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C5 | C4 | C3 | 119.3° | 120.1° |
| C5 | C4 | H4 | 120.4° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.1° |
| C4 | C3 | C2 | 121.0° | 120.3° |
| C3 | C4 | H4 | 120.3° | 119.9° |
| C4 | C3 | H3 | 119.5° | 119.8° |
| C20 | C19 | C18 | 120.4° | 120.1° |
| C19 | C20 | H20 | 120.1° | 119.9° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.1° |
| C18 | C17 | H17 | 119.9° | 120.1° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C18 | C19 | H19 | 119.8° | 119.9° |
| C2 | C3 | H3 | 119.5° | 119.9° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| H14 | C14 | H14A | 110.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | C12 | C8 | 179.7° | 180.0° |
| O2 | C13 | C12 | C11 | 179.5° | 180.0° |
| O2 | C13 | C8 | C9 | 179.4° | 180.0° |
| O2 | C13 | C8 | C7 | 0.5° | 0.0° |
| C13 | O2 | C14 | C15 | 90.5° | 180.0° |
| O2 | C13 | C12 | H12 | 0.5° | 0.2° |
| C13 | O2 | C14 | H14 | 149.5° | 60.0° |
| C13 | O2 | C14 | H14A | 28.7° | 60.0° |
| O2 | C14 | C15 | O3 | 165.4° | 0.1° |
| O2 | C14 | C15 | N1 | 14.8° | 180.0° |
| C14 | O2 | C13 | C12 | 30.8° | 0.0° |
| C14 | O2 | C13 | C8 | 149.5° | 180.0° |
| O2 | C14 | C15 | H14 | 120.0° | 120.1° |
| O2 | C14 | C15 | H14A | 119.3° | 120.0° |
| O2 | C14 | H14 | H14A | 119.3° | 120.0° |
| CL1 | C10 | C11 | C12 | 179.8° | 180.0° |
| CL1 | C10 | C9 | C8 | 179.9° | 180.0° |
| CL1 | C10 | C9 | C11 | 179.9° | 179.9° |
| CL1 | C10 | C9 | H9 | 0.2° | 0.1° |
| CL1 | C10 | C11 | H11 | 0.2° | 0.1° |
| O3 | C15 | N1 | C16 | 13.1° | 5.3° |
| O3 | C15 | N1 | C14 | 179.8° | 179.9° |
| O3 | C15 | N1 | HN1 | 166.9° | 174.7° |
| O3 | C15 | C14 | H14 | 74.6° | 120.0° |
| O3 | C15 | C14 | H14A | 46.2° | 120.1° |
| O1 | C7 | C8 | C9 | 149.1° | 75.4° |
| O1 | C7 | C8 | C6 | 179.0° | 179.9° |
| O1 | C7 | C8 | C13 | 31.0° | 104.5° |
| O1 | C7 | C6 | C1 | 120.5° | 5.2° |
| O1 | C7 | C6 | C5 | 58.3° | 174.4° |
| C16 | N1 | C15 | HN1 | 180.0° | 180.0° |
| N1 | C16 | C21 | C17 | 179.8° | 180.0° |
| N1 | C16 | C21 | C20 | 179.8° | 179.9° |
| C16 | N1 | C15 | C14 | 167.1° | 174.6° |
| N1 | C16 | C17 | C18 | 179.9° | 180.0° |
| N1 | C16 | C21 | H21 | 0.2° | 0.3° |
| N1 | C16 | C17 | H17 | 0.1° | 0.0° |
| C15 | N1 | C16 | C21 | 23.8° | 33.1° |
| C15 | N1 | C16 | C17 | 156.4° | 146.9° |
| N1 | C15 | C14 | H14 | 105.2° | 59.9° |
| N1 | C15 | C14 | H14A | 134.0° | 60.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C12 | C13 | C8 | C9 | 0.3° | 0.0° |
| C12 | C13 | C8 | C7 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.2° | 0.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C9 | C8 | C7 | C13 | 179.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 31.9° | 104.7° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C8 | C7 | C6 | C1 | 58.5° | 174.7° |
| C8 | C7 | C6 | C5 | 122.7° | 5.7° |
| C7 | C8 | C9 | H9 | 0.1° | 0.0° |
| C13 | C8 | C9 | C10 | 0.2° | 0.0° |
| C13 | C8 | C7 | C6 | 148.0° | 75.4° |
| C8 | C13 | C12 | H12 | 179.9° | 179.8° |
| C13 | C8 | C9 | H9 | 179.8° | 180.0° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C7 | C6 | C1 | C5 | 178.8° | 179.6° |
| C7 | C6 | C1 | C2 | 178.8° | 179.9° |
| C7 | C6 | C5 | C4 | 178.7° | 180.0° |
| C7 | C6 | C1 | H1 | 1.2° | 0.2° |
| C7 | C6 | C5 | H5 | 1.3° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| C5 | C6 | C1 | C2 | 0.0° | 0.3° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C16 | C21 | C20 | C19 | 0.0° | 0.0° |
| C21 | C16 | C17 | C18 | 0.1° | 0.0° |
| C21 | C16 | N1 | HN1 | 156.3° | 147.0° |
| C16 | C21 | C20 | H20 | 180.0° | 180.0° |
| C21 | C16 | C17 | H17 | 179.9° | 180.0° |
| C20 | C21 | C16 | C17 | 0.0° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C21 | C20 | C19 | H19 | 180.0° | 179.9° |
| C14 | C15 | N1 | HN1 | 12.9° | 5.4° |
| C15 | C14 | H14 | H14A | 119.3° | 119.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | N1 | HN1 | 23.5° | 33.0° |
| C17 | C16 | C21 | H21 | 180.0° | 179.7° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.3° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | C2 | H2 | 179.9° | 179.8° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.9° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| H12 | C12 | C11 | H11 | 0.0° | 0.2° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H21 | C21 | C20 | H20 | 0.0° | 0.2° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
| H20 | C20 | C19 | H19 | 0.0° | 0.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| H3 | C3 | C2 | H2 | 0.1° | 0.1° |
