FF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C21 | doub | 1.21Å | 1.25Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | N20 | sing | 1.35Å | 1.35Å | |
| C20 | N20 | sing | 1.47Å | 1.42Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| O14 | C17 | sing | 1.43Å | 1.43Å | |
| O14 | C14 | sing | 1.36Å | 1.42Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | N9 | sing | 1.40Å | 1.41Å | |
| N9 | C9 | sing | 1.35Å | 1.37Å | |
| O9 | C9 | doub | 1.22Å | 1.25Å | |
| C9 | N4 | sing | 1.35Å | 1.40Å | |
| N4 | C4 | sing | 1.40Å | 1.40Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.42Å | Aromatic |
| C | S8 | sing | 1.76Å | 1.71Å | |
| O7 | S8 | doub | 1.42Å | 1.55Å | |
| N10 | S8 | sing | 1.66Å | 1.45Å | |
| S8 | O6 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N9 | H14 | sing | 0.97Å | 1.00Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N20 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C21 | C22 | 124.0° | 120.0° |
| O21 | C21 | N20 | 118.0° | 120.0° |
| C22 | C21 | N20 | 116.3° | 120.0° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H23 | 109.4° | 109.5° |
| C21 | C22 | H24 | 109.5° | 109.4° |
| C21 | N20 | C20 | 126.1° | 120.0° |
| C21 | N20 | H21 | 117.0° | 120.0° |
| N20 | C20 | C19 | 115.1° | 109.4° |
| N20 | C20 | H9 | 108.0° | 109.5° |
| N20 | C20 | H10 | 108.0° | 109.4° |
| C20 | N20 | H21 | 116.9° | 120.0° |
| C20 | C19 | C18 | 117.6° | 109.4° |
| C19 | C20 | H9 | 108.0° | 109.5° |
| C19 | C20 | H10 | 108.0° | 109.5° |
| C20 | C19 | H19 | 107.4° | 109.4° |
| C20 | C19 | H20 | 107.4° | 109.5° |
| C19 | C18 | C17 | 113.5° | 109.5° |
| C19 | C18 | H17 | 108.4° | 109.5° |
| C19 | C18 | H18 | 108.5° | 109.5° |
| C18 | C19 | H19 | 107.4° | 109.5° |
| C18 | C19 | H20 | 107.4° | 109.5° |
| C18 | C17 | O14 | 107.8° | 109.5° |
| C18 | C17 | H15 | 109.9° | 109.5° |
| C18 | C17 | H16 | 109.9° | 109.4° |
| C17 | C18 | H17 | 108.5° | 109.5° |
| C17 | C18 | H18 | 108.4° | 109.4° |
| C17 | O14 | C14 | 117.5° | 117.0° |
| O14 | C17 | H15 | 109.9° | 109.5° |
| O14 | C17 | H16 | 109.9° | 109.5° |
| O14 | C14 | C15 | 119.7° | 120.0° |
| O14 | C14 | C13 | 119.5° | 120.0° |
| C15 | C14 | C13 | 120.8° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.1° |
| C14 | C15 | H7 | 120.2° | 119.9° |
| C14 | C13 | C12 | 118.9° | 120.0° |
| C14 | C13 | H6 | 120.6° | 120.0° |
| C15 | C16 | C11 | 121.0° | 120.0° |
| C16 | C15 | H7 | 120.2° | 120.0° |
| C15 | C16 | H8 | 119.5° | 120.0° |
| C13 | C12 | C11 | 121.5° | 120.0° |
| C13 | C12 | H5 | 119.2° | 120.0° |
| C12 | C13 | H6 | 120.6° | 120.0° |
| C16 | C11 | C12 | 118.3° | 120.0° |
| C16 | C11 | N9 | 123.0° | 120.0° |
| C11 | C16 | H8 | 119.5° | 120.0° |
| C12 | C11 | N9 | 118.5° | 120.0° |
| C11 | C12 | H5 | 119.3° | 120.0° |
| C11 | N9 | C9 | 125.1° | 120.0° |
| C11 | N9 | H14 | 117.5° | 120.0° |
| N9 | C9 | O9 | 118.8° | 120.0° |
| N9 | C9 | N4 | 117.2° | 120.0° |
| C9 | N9 | H14 | 117.4° | 120.0° |
| O9 | C9 | N4 | 122.6° | 120.0° |
| C9 | N4 | C4 | 125.5° | 120.0° |
| C9 | N4 | H13 | 117.3° | 120.0° |
| N4 | C4 | C3 | 120.1° | 120.0° |
| N4 | C4 | C5 | 120.8° | 120.1° |
| C4 | N4 | H13 | 117.2° | 120.0° |
| C3 | C4 | C5 | 119.0° | 119.9° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C4 | C3 | H3 | 120.0° | 120.1° |
| C4 | C5 | C1 | 119.8° | 119.9° |
| C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C2 | C | 121.7° | 120.1° |
| C3 | C2 | H2 | 119.1° | 119.9° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C5 | C1 | C | 122.3° | 120.1° |
| C5 | C1 | H1 | 118.9° | 120.0° |
| C1 | C5 | H4 | 120.1° | 120.1° |
| C2 | C | C1 | 117.0° | 120.1° |
| C2 | C | S8 | 122.7° | 119.9° |
| C | C2 | H2 | 119.1° | 120.0° |
| C1 | C | S8 | 120.3° | 119.9° |
| C | C1 | H1 | 118.9° | 120.0° |
| C | S8 | O7 | 108.9° | 106.4° |
| C | S8 | N10 | 105.2° | 107.2° |
| C | S8 | O6 | 107.4° | 106.4° |
| O7 | S8 | N10 | 108.9° | 106.4° |
| O7 | S8 | O6 | 109.9° | 123.2° |
| N10 | S8 | O6 | 116.3° | 106.4° |
| S8 | N10 | H11 | 109.5° | 120.0° |
| S8 | N10 | H12 | 109.5° | 120.0° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | N10 | H12 | 109.5° | 120.0° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H22 | C22 | H24 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C21 | C22 | N20 | 164.7° | 179.9° |
| O21 | C21 | N20 | C20 | 5.2° | 0.1° |
| O21 | C21 | N20 | H21 | 174.8° | 180.0° |
| O21 | C21 | C22 | H22 | 0.0° | 89.9° |
| O21 | C21 | C22 | H23 | 120.0° | 150.0° |
| O21 | C21 | C22 | H24 | 120.0° | 30.1° |
| C22 | C21 | N20 | C20 | 170.9° | 180.0° |
| C22 | C21 | N20 | H21 | 9.1° | 0.2° |
| C21 | C22 | H22 | H23 | 120.0° | 120.1° |
| C21 | C22 | H22 | H24 | 120.0° | 120.0° |
| C21 | C22 | H23 | H24 | 120.0° | 119.9° |
| C21 | N20 | C20 | H21 | 180.0° | 179.9° |
| C21 | N20 | C20 | C19 | 143.6° | 180.0° |
| C21 | N20 | C20 | H9 | 95.6° | 59.9° |
| C21 | N20 | C20 | H10 | 22.8° | 60.1° |
| N20 | C21 | C22 | H22 | 164.7° | 90.0° |
| N20 | C21 | C22 | H23 | 44.7° | 30.1° |
| N20 | C21 | C22 | H24 | 75.3° | 150.1° |
| N20 | C20 | C19 | H9 | 120.8° | 120.0° |
| N20 | C20 | C19 | H10 | 120.8° | 120.0° |
| N20 | C20 | C19 | C18 | 70.9° | 180.0° |
| N20 | C20 | H9 | H10 | 117.4° | 120.0° |
| N20 | C20 | C19 | H19 | 50.3° | 60.1° |
| N20 | C20 | C19 | H20 | 168.0° | 60.0° |
| C20 | C19 | C18 | H19 | 121.2° | 119.9° |
| C20 | C19 | C18 | H20 | 121.1° | 120.0° |
| C20 | C19 | C18 | C17 | 179.9° | 180.0° |
| C19 | C20 | H9 | H10 | 117.4° | 120.0° |
| C20 | C19 | C18 | H17 | 59.3° | 60.0° |
| C20 | C19 | C18 | H18 | 59.6° | 60.1° |
| C20 | C19 | H19 | H20 | 116.3° | 120.0° |
| C19 | C20 | N20 | H21 | 36.4° | 0.1° |
| C19 | C18 | C17 | H17 | 120.6° | 120.1° |
| C19 | C18 | C17 | H18 | 120.6° | 120.0° |
| C19 | C18 | C17 | O14 | 58.4° | 180.0° |
| C18 | C19 | C20 | H9 | 168.3° | 60.0° |
| C18 | C19 | C20 | H10 | 49.9° | 60.0° |
| C19 | C18 | C17 | H15 | 178.1° | 59.9° |
| C19 | C18 | C17 | H16 | 61.3° | 60.0° |
| C19 | C18 | H17 | H18 | 118.2° | 120.0° |
| C18 | C19 | H19 | H20 | 116.3° | 120.0° |
| C18 | C17 | O14 | H15 | 119.7° | 120.0° |
| C18 | C17 | O14 | H16 | 119.8° | 119.9° |
| C18 | C17 | O14 | C14 | 165.8° | 180.0° |
| C18 | C17 | H15 | H16 | 120.8° | 119.9° |
| C17 | C18 | H17 | H18 | 118.2° | 119.9° |
| C17 | C18 | C19 | H19 | 59.0° | 60.1° |
| C17 | C18 | C19 | H20 | 58.7° | 60.0° |
| C17 | O14 | C14 | C15 | 157.9° | 180.0° |
| C17 | O14 | C14 | C13 | 24.1° | 0.3° |
| O14 | C17 | H15 | H16 | 120.8° | 120.0° |
| O14 | C17 | C18 | H17 | 62.2° | 60.0° |
| O14 | C17 | C18 | H18 | 179.0° | 60.0° |
| O14 | C14 | C15 | C13 | 177.9° | 179.7° |
| O14 | C14 | C15 | C16 | 179.1° | 180.0° |
| O14 | C14 | C13 | C12 | 177.9° | 179.7° |
| O14 | C14 | C13 | H6 | 2.1° | 0.2° |
| O14 | C14 | C15 | H7 | 0.9° | 0.2° |
| C14 | O14 | C17 | H15 | 74.5° | 60.0° |
| C14 | O14 | C17 | H16 | 46.1° | 60.0° |
| C14 | C15 | C16 | H7 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C14 | C15 | C16 | C11 | 2.1° | 0.6° |
| C15 | C14 | C13 | H6 | 180.0° | 179.9° |
| C14 | C15 | C16 | H8 | 177.9° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.3° |
| C14 | C13 | C12 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H5 | 179.7° | 180.0° |
| C13 | C14 | C15 | H7 | 178.8° | 180.0° |
| C15 | C16 | C11 | H8 | 180.0° | 179.4° |
| C15 | C16 | C11 | C12 | 1.8° | 0.6° |
| C15 | C16 | C11 | N9 | 177.0° | 179.8° |
| C13 | C12 | C11 | C16 | 0.6° | 0.3° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | N9 | 176.0° | 179.9° |
| C16 | C11 | C12 | N9 | 175.4° | 179.6° |
| C16 | C11 | N9 | C9 | 28.8° | 147.1° |
| C16 | C11 | C12 | H5 | 179.4° | 179.7° |
| C11 | C16 | C15 | H7 | 177.9° | 179.7° |
| C16 | C11 | N9 | H14 | 151.1° | 32.9° |
| C12 | C11 | N9 | C9 | 146.3° | 33.3° |
| C11 | C12 | C13 | H6 | 179.7° | 179.9° |
| C12 | C11 | C16 | H8 | 178.2° | 180.0° |
| C12 | C11 | N9 | H14 | 33.7° | 146.7° |
| C11 | N9 | C9 | H14 | 180.0° | 179.9° |
| C11 | N9 | C9 | O9 | 22.2° | 5.1° |
| C11 | N9 | C9 | N4 | 170.8° | 174.9° |
| N9 | C11 | C12 | H5 | 4.0° | 0.1° |
| N9 | C11 | C16 | H8 | 3.0° | 0.4° |
| N9 | C9 | O9 | N4 | 166.2° | 180.0° |
| N9 | C9 | N4 | C4 | 179.2° | 174.8° |
| N9 | C9 | N4 | H13 | 0.8° | 5.2° |
| O9 | C9 | N4 | C4 | 12.8° | 5.2° |
| O9 | C9 | N4 | H13 | 167.2° | 174.8° |
| O9 | C9 | N9 | H14 | 157.8° | 174.8° |
| C9 | N4 | C4 | H13 | 180.0° | 180.0° |
| C9 | N4 | C4 | C3 | 143.6° | 147.3° |
| C9 | N4 | C4 | C5 | 35.2° | 33.3° |
| N4 | C9 | N9 | H14 | 9.2° | 5.2° |
| N4 | C4 | C3 | C5 | 178.8° | 179.3° |
| N4 | C4 | C3 | C2 | 176.7° | 180.0° |
| N4 | C4 | C5 | C1 | 174.2° | 179.8° |
| N4 | C4 | C3 | H3 | 3.3° | 0.5° |
| N4 | C4 | C5 | H4 | 5.8° | 0.2° |
| C4 | C3 | C2 | H3 | 180.0° | 179.5° |
| C3 | C4 | C5 | C1 | 4.7° | 0.4° |
| C4 | C3 | C2 | C | 1.8° | 0.5° |
| C4 | C3 | C2 | H2 | 178.2° | 179.5° |
| C3 | C4 | C5 | H4 | 175.3° | 179.5° |
| C3 | C4 | N4 | H13 | 36.4° | 32.6° |
| C5 | C4 | C3 | C2 | 2.1° | 0.7° |
| C4 | C5 | C1 | H4 | 180.0° | 179.9° |
| C4 | C5 | C1 | C | 3.4° | 0.0° |
| C4 | C5 | C1 | H1 | 176.6° | 179.8° |
| C5 | C4 | C3 | H3 | 177.9° | 179.8° |
| C5 | C4 | N4 | H13 | 144.8° | 146.7° |
| C3 | C2 | C | H2 | 180.0° | 180.0° |
| C3 | C2 | C | C1 | 3.1° | 0.1° |
| C3 | C2 | C | S8 | 178.0° | 180.0° |
| C5 | C1 | C | C2 | 0.4° | 0.2° |
| C5 | C1 | C | H1 | 180.0° | 179.8° |
| C5 | C1 | C | S8 | 179.4° | 179.7° |
| C2 | C | C1 | S8 | 179.0° | 179.9° |
| C2 | C | S8 | O7 | 45.3° | 23.5° |
| C2 | C | S8 | N10 | 161.8° | 90.0° |
| C2 | C | S8 | O6 | 73.7° | 156.4° |
| C2 | C | C1 | H1 | 179.6° | 180.0° |
| C | C2 | C3 | H3 | 178.2° | 180.0° |
| C1 | C | S8 | O7 | 135.8° | 156.5° |
| C1 | C | S8 | N10 | 19.2° | 90.0° |
| C1 | C | S8 | O6 | 105.2° | 23.5° |
| C1 | C | C2 | H2 | 176.9° | 180.0° |
| C | C1 | C5 | H4 | 176.6° | 179.9° |
| C | S8 | O7 | N10 | 114.2° | 114.1° |
| C | S8 | O7 | O6 | 117.4° | 123.0° |
| C | S8 | N10 | O6 | 118.6° | 113.5° |
| S8 | C | C1 | H1 | 0.6° | 0.0° |
| S8 | C | C2 | H2 | 2.0° | 0.1° |
| C | S8 | N10 | H11 | 180.0° | 0.0° |
| C | S8 | N10 | H12 | 60.0° | 180.0° |
| O7 | S8 | N10 | O6 | 124.8° | 132.9° |
| O7 | S8 | N10 | H11 | 63.4° | 113.6° |
| O7 | S8 | N10 | H12 | 176.6° | 66.4° |
| S8 | N10 | H11 | H12 | 120.0° | 180.0° |
| O6 | S8 | N10 | H11 | 61.4° | 113.5° |
| O6 | S8 | N10 | H12 | 58.6° | 66.5° |
| H1 | C1 | C5 | H4 | 3.4° | 0.3° |
| H2 | C2 | C3 | H3 | 1.8° | 0.0° |
| H5 | C12 | C13 | H6 | 0.3° | 0.0° |
| H7 | C15 | C16 | H8 | 2.1° | 0.2° |
| H9 | C20 | C19 | H19 | 70.5° | 60.0° |
| H9 | C20 | C19 | H20 | 47.2° | NaN° |
| H9 | C20 | N20 | H21 | 84.5° | 120.0° |
| H10 | C20 | C19 | H19 | 171.1° | 180.0° |
| H10 | C20 | C19 | H20 | 71.2° | 60.0° |
| H10 | C20 | N20 | H21 | 157.2° | 120.1° |
| H15 | C17 | C18 | H17 | 57.6° | 180.0° |
| H15 | C17 | C18 | H18 | 61.3° | 60.0° |
| H16 | C17 | C18 | H17 | 178.1° | 60.0° |
| H16 | C17 | C18 | H18 | 59.3° | 180.0° |
| H17 | C18 | C19 | H19 | 179.6° | 60.0° |
| H17 | C18 | C19 | H20 | 61.9° | 180.0° |
| H18 | C18 | C19 | H19 | 61.6° | 180.0° |
| H18 | C18 | C19 | H20 | 179.3° | 60.0° |
| H22 | C22 | H23 | H24 | 120.0° | 120.0° |
