FC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C18 | sing | 1.74Å | 1.73Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.48Å | |
| N5 | C14 | trip | 1.14Å | 1.15Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C14 | C12 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | doub | 1.41Å | 1.36Å | |
| C13 | N4 | sing | 1.34Å | 1.37Å | |
| C12 | C11 | sing | 1.42Å | 1.44Å | |
| N4 | C10 | doub | 1.32Å | 1.31Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | S2 | sing | 1.81Å | 1.83Å | |
| C11 | O4 | doub | 1.22Å | 1.24Å | |
| C11 | N3 | sing | 1.35Å | 1.38Å | |
| C7 | O3 | doub | 1.21Å | 1.21Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| C10 | N3 | sing | 1.36Å | 1.36Å | |
| C10 | S2 | sing | 1.76Å | 1.77Å | |
| N2 | C4 | sing | 1.40Å | 1.41Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.76Å | |
| N1 | S1 | sing | 1.66Å | 1.60Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C18 | C19 | 119.4° | 119.9° |
| CL | C18 | C17 | 120.0° | 119.8° |
| C18 | C19 | C20 | 119.5° | 120.2° |
| C19 | C18 | C17 | 120.7° | 120.3° |
| C18 | C19 | H3 | 120.3° | 119.9° |
| C19 | C20 | C15 | 121.2° | 119.9° |
| C20 | C19 | H3 | 120.3° | 119.9° |
| C19 | C20 | H4 | 119.4° | 120.1° |
| C18 | C17 | C16 | 119.3° | 120.1° |
| C18 | C17 | H2 | 120.4° | 119.9° |
| C20 | C15 | C16 | 118.1° | 119.8° |
| C20 | C15 | C13 | 120.3° | 120.1° |
| C15 | C20 | H4 | 119.4° | 120.1° |
| C17 | C16 | C15 | 121.3° | 119.8° |
| C17 | C16 | H1 | 119.3° | 120.1° |
| C16 | C17 | H2 | 120.3° | 119.9° |
| C16 | C15 | C13 | 121.4° | 120.1° |
| C15 | C16 | H1 | 119.4° | 120.1° |
| C15 | C13 | C12 | 123.6° | 120.3° |
| C15 | C13 | N4 | 113.6° | 120.3° |
| N5 | C14 | C12 | 179.8° | 180.0° |
| C9 | C8 | C7 | 111.5° | 109.4° |
| C9 | C8 | S2 | 111.9° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 109.4° | 109.5° |
| C9 | C8 | H9 | 109.5° | 109.4° |
| C14 | C12 | C13 | 117.6° | 120.8° |
| C14 | C12 | C11 | 123.5° | 120.8° |
| C12 | C13 | N4 | 122.8° | 119.5° |
| C13 | C12 | C11 | 118.9° | 118.4° |
| C13 | N4 | C10 | 118.5° | 121.4° |
| C12 | C11 | O4 | 124.7° | 120.7° |
| C12 | C11 | N3 | 115.0° | 118.6° |
| N4 | C10 | N3 | 121.9° | 121.9° |
| N4 | C10 | S2 | 122.4° | 119.0° |
| C7 | C8 | S2 | 108.1° | 109.5° |
| C8 | C7 | O3 | 121.7° | 120.0° |
| C8 | C7 | N2 | 114.1° | 120.0° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C8 | S2 | C10 | 105.7° | 100.0° |
| S2 | C8 | H9 | 106.2° | 109.5° |
| O4 | C11 | N3 | 120.2° | 120.7° |
| C11 | N3 | C10 | 122.9° | 120.3° |
| C11 | N3 | H5 | 118.5° | 119.9° |
| O3 | C7 | N2 | 124.2° | 120.0° |
| C7 | N2 | C4 | 128.1° | 120.0° |
| C7 | N2 | H10 | 115.9° | 120.0° |
| N3 | C10 | S2 | 115.7° | 119.1° |
| C10 | N3 | H5 | 118.5° | 119.8° |
| N2 | C4 | C5 | 124.0° | 120.1° |
| N2 | C4 | C3 | 116.6° | 120.1° |
| C4 | N2 | H10 | 115.9° | 120.0° |
| C5 | C4 | C3 | 119.4° | 119.8° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C4 | C5 | H12 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C4 | C3 | H13 | 120.0° | 120.0° |
| C5 | C6 | C1 | 120.1° | 120.1° |
| C5 | C6 | H11 | 119.9° | 120.0° |
| C6 | C5 | H12 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.3° | 120.1° |
| C2 | C3 | H13 | 120.0° | 120.1° |
| C3 | C2 | H14 | 119.8° | 119.9° |
| C6 | C1 | C2 | 120.0° | 120.1° |
| C6 | C1 | S1 | 120.0° | 120.0° |
| C1 | C6 | H11 | 119.9° | 119.9° |
| C2 | C1 | S1 | 120.0° | 119.9° |
| C1 | C2 | H14 | 119.8° | 120.0° |
| C1 | S1 | N1 | 109.6° | 107.2° |
| C1 | S1 | O1 | 108.6° | 106.4° |
| C1 | S1 | O2 | 105.0° | 106.4° |
| N1 | S1 | O1 | 109.5° | 106.4° |
| N1 | S1 | O2 | 107.9° | 106.4° |
| S1 | N1 | H15 | 109.5° | 120.0° |
| S1 | N1 | H16 | 109.4° | 120.0° |
| O1 | S1 | O2 | 116.0° | 123.2° |
| H6 | C9 | H7 | 109.4° | 109.4° |
| H6 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H15 | N1 | H16 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C18 | C19 | C17 | 179.6° | 180.0° |
| CL | C18 | C19 | C20 | 179.6° | 180.0° |
| CL | C18 | C17 | C16 | 179.4° | 180.0° |
| CL | C18 | C17 | H2 | 0.6° | 0.0° |
| CL | C18 | C19 | H3 | 0.4° | 0.0° |
| C18 | C19 | C20 | H3 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.3° | 0.3° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H2 | 179.8° | 180.0° |
| C18 | C19 | C20 | H4 | 179.7° | 180.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C19 | C20 | C15 | H4 | 180.0° | 179.7° |
| C19 | C20 | C15 | C16 | 0.4° | 0.6° |
| C19 | C20 | C15 | C13 | 175.0° | 180.0° |
| C18 | C17 | C16 | H2 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C18 | C17 | C16 | H1 | 179.9° | 180.0° |
| C17 | C18 | C19 | H3 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.2° | 0.6° |
| C20 | C15 | C16 | C13 | 175.3° | 179.5° |
| C20 | C15 | C13 | C12 | 122.7° | 134.2° |
| C20 | C15 | C13 | N4 | 56.2° | 45.6° |
| C20 | C15 | C16 | H1 | 179.8° | 179.7° |
| C15 | C20 | C19 | H3 | 179.7° | 179.7° |
| C17 | C16 | C15 | H1 | 180.0° | 179.7° |
| C17 | C16 | C15 | C13 | 175.1° | 180.0° |
| C16 | C15 | C13 | C12 | 62.1° | 46.4° |
| C16 | C15 | C13 | N4 | 118.9° | 133.9° |
| C15 | C16 | C17 | H2 | 179.9° | 179.7° |
| C16 | C15 | C20 | H4 | 179.7° | 179.7° |
| C15 | C13 | C12 | C14 | 3.7° | 0.0° |
| C15 | C13 | C12 | N4 | 178.8° | 179.8° |
| C15 | C13 | C12 | C11 | 178.3° | 180.0° |
| C15 | C13 | N4 | C10 | 178.4° | 180.0° |
| C13 | C15 | C16 | H1 | 4.9° | 0.3° |
| C13 | C15 | C20 | H4 | 5.0° | 0.2° |
| N5 | C14 | C12 | C13 | 130.4° | 90.7° |
| N5 | C14 | C12 | C11 | 47.4° | 89.3° |
| C9 | C8 | C7 | S2 | 123.4° | 120.0° |
| C9 | C8 | C7 | H9 | 121.3° | 119.9° |
| C9 | C8 | S2 | H9 | 119.3° | 120.0° |
| C9 | C8 | C7 | O3 | 53.3° | 95.0° |
| C9 | C8 | C7 | N2 | 126.3° | 85.0° |
| C9 | C8 | S2 | C10 | 5.8° | 65.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H8 | 120.0° | 120.1° |
| C8 | C9 | H7 | H8 | 120.0° | 120.0° |
| C14 | C12 | C13 | C11 | 177.9° | 179.9° |
| C14 | C12 | C13 | N4 | 177.4° | 179.7° |
| C14 | C12 | C11 | O4 | 1.3° | 0.0° |
| C14 | C12 | C11 | N3 | 177.8° | 180.0° |
| C12 | C13 | N4 | C10 | 0.5° | 0.2° |
| C13 | C12 | C11 | O4 | 179.1° | 180.0° |
| C13 | C12 | C11 | N3 | 0.0° | 0.1° |
| N4 | C13 | C12 | C11 | 0.5° | 0.2° |
| C13 | N4 | C10 | N3 | 0.1° | 0.1° |
| C13 | N4 | C10 | S2 | 179.2° | 180.0° |
| C12 | C11 | O4 | N3 | 179.1° | 179.9° |
| C12 | C11 | N3 | C10 | 0.4° | 0.4° |
| C12 | C11 | N3 | H5 | 179.5° | 180.0° |
| N4 | C10 | S2 | C8 | 32.7° | 0.0° |
| N4 | C10 | N3 | C11 | 0.4° | 0.4° |
| N4 | C10 | N3 | S2 | 179.2° | 179.9° |
| N4 | C10 | N3 | H5 | 179.5° | 180.0° |
| C7 | C8 | S2 | H9 | 117.5° | 120.0° |
| C8 | C7 | O3 | N2 | 179.6° | 180.0° |
| C7 | C8 | S2 | C10 | 117.4° | 175.0° |
| C8 | C7 | N2 | C4 | 162.3° | 174.5° |
| C7 | C8 | C9 | H6 | 180.0° | 60.0° |
| C7 | C8 | C9 | H7 | 60.0° | 60.0° |
| C7 | C8 | C9 | H8 | 60.0° | 179.9° |
| C8 | C7 | N2 | H10 | 17.7° | 5.6° |
| S2 | C8 | C7 | O3 | 70.1° | 25.0° |
| S2 | C8 | C7 | N2 | 110.2° | 155.0° |
| C8 | S2 | C10 | N3 | 148.0° | 180.0° |
| S2 | C8 | C9 | H6 | 58.7° | 180.0° |
| S2 | C8 | C9 | H7 | 178.7° | 60.0° |
| S2 | C8 | C9 | H8 | 61.3° | 59.9° |
| O4 | C11 | N3 | C10 | 178.7° | 179.7° |
| O4 | C11 | N3 | H5 | 1.3° | 0.1° |
| C11 | N3 | C10 | H5 | 180.0° | 179.6° |
| C11 | N3 | C10 | S2 | 178.8° | 179.7° |
| O3 | C7 | N2 | C4 | 18.1° | 5.5° |
| O3 | C7 | C8 | H9 | 174.6° | 145.0° |
| O3 | C7 | N2 | H10 | 161.9° | 174.4° |
| C7 | N2 | C4 | H10 | 180.0° | 179.9° |
| C7 | N2 | C4 | C5 | 21.8° | 34.7° |
| C7 | N2 | C4 | C3 | 161.5° | 145.4° |
| N2 | C7 | C8 | H9 | 5.0° | 35.0° |
| S2 | C10 | N3 | H5 | 1.2° | 0.1° |
| C10 | S2 | C8 | H9 | 125.2° | 55.0° |
| N2 | C4 | C5 | C3 | 176.6° | 179.9° |
| N2 | C4 | C5 | C6 | 176.3° | 180.0° |
| N2 | C4 | C3 | C2 | 176.8° | 180.0° |
| N2 | C4 | C5 | H12 | 3.7° | 0.1° |
| N2 | C4 | C3 | H13 | 3.2° | 0.1° |
| C4 | C5 | C6 | H12 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | C4 | N2 | H10 | 158.1° | 145.4° |
| C4 | C5 | C6 | H11 | 179.7° | 179.7° |
| C5 | C4 | C3 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | N2 | H10 | 18.6° | 34.5° |
| C3 | C4 | C5 | H12 | 179.7° | 180.0° |
| C4 | C3 | C2 | H14 | 179.8° | 180.0° |
| C5 | C6 | C1 | H11 | 180.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | S1 | 178.8° | 179.8° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | S1 | 178.5° | 179.8° |
| C6 | C1 | C2 | S1 | 178.8° | 179.8° |
| C6 | C1 | S1 | N1 | 132.6° | 89.9° |
| C6 | C1 | S1 | O1 | 12.9° | 23.6° |
| C6 | C1 | S1 | O2 | 111.8° | 156.5° |
| C1 | C6 | C5 | H12 | 179.7° | 180.0° |
| C6 | C1 | C2 | H14 | 179.7° | 179.9° |
| C2 | C1 | S1 | N1 | 46.1° | 90.2° |
| C2 | C1 | S1 | O1 | 165.8° | 156.2° |
| C2 | C1 | S1 | O2 | 69.5° | 23.3° |
| C2 | C1 | C6 | H11 | 180.0° | 179.7° |
| C1 | C2 | C3 | H13 | 179.8° | 180.0° |
| C1 | S1 | N1 | O1 | 119.1° | 113.5° |
| C1 | S1 | N1 | O2 | 113.8° | 113.6° |
| C1 | S1 | O1 | O2 | 117.9° | 122.9° |
| S1 | C1 | C6 | H11 | 1.2° | 0.1° |
| S1 | C1 | C2 | H14 | 1.5° | 0.2° |
| C1 | S1 | N1 | H15 | 180.0° | 0.0° |
| C1 | S1 | N1 | H16 | 60.0° | 180.0° |
| N1 | S1 | O1 | O2 | 122.4° | 123.0° |
| S1 | N1 | H15 | H16 | 120.0° | 180.0° |
| O1 | S1 | N1 | H15 | 60.9° | 113.5° |
| O1 | S1 | N1 | H16 | 59.1° | 66.5° |
| O2 | S1 | N1 | H15 | 66.2° | 113.6° |
| O2 | S1 | N1 | H16 | 173.8° | 66.5° |
| H1 | C16 | C17 | H2 | 0.1° | 0.0° |
| H3 | C19 | C20 | H4 | 0.3° | 0.0° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
| H6 | C9 | C8 | H9 | 58.6° | 60.0° |
| H7 | C9 | C8 | H9 | 61.3° | 180.0° |
| H8 | C9 | C8 | H9 | 178.7° | 60.1° |
| H11 | C6 | C5 | H12 | 0.3° | 0.3° |
| H13 | C3 | C2 | H14 | 0.3° | 0.0° |
