FK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.35Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | N24 | sing | 1.36Å | 1.35Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| N24 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.48Å | |
| S18 | C19 | sing | 1.76Å | 1.79Å | |
| S18 | C17 | sing | 1.81Å | 1.77Å | |
| C19 | O25 | doub | 1.22Å | 1.25Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N15 | sing | 1.46Å | 1.46Å | |
| N15 | C14 | sing | 1.35Å | 1.40Å | |
| C14 | O26 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | sing | 1.51Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | N11 | sing | 1.46Å | 1.42Å | |
| N11 | C10 | sing | 1.35Å | 1.46Å | |
| O27 | C10 | doub | 1.21Å | 1.28Å | |
| C10 | C08 | sing | 1.51Å | 1.54Å | |
| O09 | C08 | sing | 1.43Å | 1.41Å | |
| C08 | C05 | sing | 1.53Å | 1.55Å | |
| O28 | P02 | doub | 1.48Å | 1.49Å | |
| O03 | C04 | sing | 1.43Å | 1.40Å | |
| O03 | P02 | sing | 1.61Å | 1.57Å | |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C05 | C07 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| P02 | O01 | sing | 1.61Å | 1.56Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| O09 | H11 | sing | 0.97Å | 0.95Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N15 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| N24 | H25 | sing | 0.97Å | 1.00Å | |
| P02 | H27 | sing | 1.42Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 108.7° | 107.9° |
| C22 | C23 | N24 | 108.9° | 108.9° |
| C23 | C22 | H23 | 125.6° | 126.1° |
| C22 | C23 | H24 | 125.5° | 125.6° |
| C22 | C21 | C20 | 105.5° | 107.0° |
| C22 | C21 | H22 | 127.3° | 126.5° |
| C21 | C22 | H23 | 125.7° | 126.0° |
| C23 | N24 | C20 | 106.6° | 108.6° |
| N24 | C23 | H24 | 125.6° | 125.5° |
| C23 | N24 | H25 | 126.7° | 125.8° |
| C21 | C20 | N24 | 110.3° | 107.6° |
| C21 | C20 | C19 | 128.2° | 126.2° |
| C20 | C21 | H22 | 127.3° | 126.5° |
| N24 | C20 | C19 | 121.5° | 126.2° |
| C20 | N24 | H25 | 126.7° | 125.6° |
| C20 | C19 | S18 | 104.2° | 120.0° |
| C20 | C19 | O25 | 130.1° | 120.0° |
| C19 | S18 | C17 | 102.7° | 100.0° |
| S18 | C19 | O25 | 119.0° | 120.0° |
| S18 | C17 | C16 | 112.6° | 109.5° |
| S18 | C17 | H20 | 108.7° | 109.5° |
| S18 | C17 | H21 | 108.7° | 109.5° |
| C17 | C16 | N15 | 111.6° | 109.5° |
| C17 | C16 | H18 | 108.9° | 109.5° |
| C17 | C16 | H19 | 108.9° | 109.4° |
| C16 | C17 | H20 | 108.7° | 109.5° |
| C16 | C17 | H21 | 108.7° | 109.5° |
| C16 | N15 | C14 | 119.3° | 120.0° |
| C16 | N15 | H17 | 120.3° | 120.0° |
| N15 | C16 | H18 | 108.9° | 109.5° |
| N15 | C16 | H19 | 108.9° | 109.5° |
| N15 | C14 | O26 | 124.4° | 120.0° |
| N15 | C14 | C13 | 110.5° | 120.0° |
| C14 | N15 | H17 | 120.3° | 120.0° |
| O26 | C14 | C13 | 125.0° | 120.0° |
| C14 | C13 | C12 | 112.9° | 109.5° |
| C14 | C13 | H15 | 108.6° | 109.5° |
| C14 | C13 | H16 | 108.6° | 109.4° |
| C13 | C12 | N11 | 111.9° | 109.5° |
| C13 | C12 | H13 | 108.9° | 109.5° |
| C13 | C12 | H14 | 108.8° | 109.5° |
| C12 | C13 | H15 | 108.6° | 109.5° |
| C12 | C13 | H16 | 108.6° | 109.5° |
| C12 | N11 | C10 | 118.0° | 120.0° |
| C12 | N11 | H12 | 121.0° | 120.0° |
| N11 | C12 | H13 | 108.8° | 109.4° |
| N11 | C12 | H14 | 108.9° | 109.4° |
| N11 | C10 | O27 | 120.9° | 120.0° |
| N11 | C10 | C08 | 113.4° | 120.0° |
| C10 | N11 | H12 | 121.0° | 120.0° |
| O27 | C10 | C08 | 125.6° | 120.0° |
| C10 | C08 | O09 | 110.9° | 109.5° |
| C10 | C08 | C05 | 113.3° | 109.5° |
| C10 | C08 | H10 | 106.0° | 109.5° |
| O09 | C08 | C05 | 112.9° | 109.5° |
| O09 | C08 | H10 | 107.5° | 109.5° |
| C08 | O09 | H11 | 109.5° | 114.0° |
| C08 | C05 | C04 | 111.8° | 109.5° |
| C08 | C05 | C07 | 106.9° | 109.5° |
| C08 | C05 | C06 | 111.4° | 109.5° |
| C05 | C08 | H10 | 105.8° | 109.5° |
| O28 | P02 | O03 | 107.8° | 109.5° |
| O28 | P02 | O01 | 107.6° | 109.5° |
| O28 | P02 | H27 | 108.8° | 109.5° |
| C04 | O03 | P02 | 119.0° | 123.0° |
| O03 | C04 | C05 | 115.2° | 109.5° |
| O03 | C04 | H2 | 108.0° | 109.4° |
| O03 | C04 | H3 | 108.0° | 109.4° |
| O03 | P02 | O01 | 116.7° | 109.5° |
| O03 | P02 | H27 | 107.9° | 109.5° |
| C04 | C05 | C07 | 107.7° | 109.5° |
| C04 | C05 | C06 | 107.6° | 109.5° |
| C05 | C04 | H2 | 108.0° | 109.5° |
| C05 | C04 | H3 | 108.0° | 109.5° |
| C07 | C05 | C06 | 111.4° | 109.5° |
| C05 | C07 | H7 | 109.5° | 109.5° |
| C05 | C07 | H8 | 109.5° | 109.5° |
| C05 | C07 | H9 | 109.5° | 109.4° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.4° | 109.5° |
| C05 | C06 | H6 | 109.5° | 109.5° |
| P02 | O01 | H1 | 109.5° | 114.0° |
| O01 | P02 | H27 | 107.9° | 109.4° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.4° |
| H4 | C06 | H6 | 109.4° | 109.4° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H9 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.4° | 109.5° |
| H20 | C17 | H21 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H23 | 180.0° | 179.6° |
| C22 | C23 | N24 | H24 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.4° | 0.1° |
| C22 | C23 | N24 | C20 | 0.7° | 0.5° |
| C23 | C22 | C21 | H22 | 179.6° | 179.9° |
| C22 | C23 | N24 | H25 | 179.3° | 179.9° |
| C21 | C22 | C23 | N24 | 0.7° | 0.3° |
| C22 | C21 | C20 | H22 | 180.0° | 180.0° |
| C22 | C21 | C20 | N24 | 0.0° | 0.2° |
| C22 | C21 | C20 | C19 | 178.5° | 179.9° |
| C21 | C22 | C23 | H24 | 179.3° | 180.0° |
| C23 | N24 | C20 | C21 | 0.4° | 0.4° |
| C23 | N24 | C20 | H25 | 180.0° | 179.6° |
| C23 | N24 | C20 | C19 | 179.1° | 179.9° |
| N24 | C23 | C22 | H23 | 179.3° | 179.9° |
| C21 | C20 | N24 | C19 | 178.7° | 179.7° |
| C21 | C20 | C19 | S18 | 166.8° | 180.0° |
| C21 | C20 | C19 | O25 | 16.6° | 0.0° |
| C20 | C21 | C22 | H23 | 179.5° | 179.7° |
| C21 | C20 | N24 | H25 | 179.6° | 180.0° |
| N24 | C20 | C19 | S18 | 14.8° | 0.4° |
| N24 | C20 | C19 | O25 | 165.0° | 179.7° |
| N24 | C20 | C21 | H22 | 180.0° | 179.8° |
| C20 | N24 | C23 | H24 | 179.3° | 179.9° |
| C20 | C19 | S18 | O25 | 154.2° | 179.9° |
| C20 | C19 | S18 | C17 | 171.2° | 180.0° |
| C19 | C20 | C21 | H22 | 1.5° | 0.1° |
| C19 | C20 | N24 | H25 | 0.9° | 0.3° |
| C19 | S18 | C17 | C16 | 61.7° | 180.0° |
| C19 | S18 | C17 | H20 | 58.8° | 60.0° |
| C19 | S18 | C17 | H21 | 177.8° | 59.9° |
| C17 | S18 | C19 | O25 | 17.0° | 0.0° |
| S18 | C17 | C16 | H20 | 120.5° | 120.0° |
| S18 | C17 | C16 | H21 | 120.5° | 120.0° |
| S18 | C17 | C16 | N15 | 162.8° | 180.0° |
| S18 | C17 | C16 | H18 | 42.5° | 60.0° |
| S18 | C17 | C16 | H19 | 76.8° | 60.0° |
| S18 | C17 | H20 | H21 | 118.6° | 120.0° |
| C17 | C16 | N15 | H18 | 120.3° | 120.0° |
| C17 | C16 | N15 | H19 | 120.3° | 120.0° |
| C17 | C16 | N15 | C14 | 151.7° | 180.0° |
| C17 | C16 | N15 | H17 | 28.3° | 0.0° |
| C17 | C16 | H18 | H19 | 119.0° | 120.0° |
| C16 | C17 | H20 | H21 | 118.6° | 120.0° |
| C16 | N15 | C14 | H17 | 180.0° | 180.0° |
| C16 | N15 | C14 | O26 | 1.7° | 0.0° |
| C16 | N15 | C14 | C13 | 176.0° | 180.0° |
| N15 | C16 | H18 | H19 | 119.0° | 120.1° |
| N15 | C16 | C17 | H20 | 76.7° | 60.0° |
| N15 | C16 | C17 | H21 | 42.4° | 60.0° |
| N15 | C14 | O26 | C13 | 177.4° | 180.0° |
| N15 | C14 | C13 | C12 | 153.7° | 180.0° |
| N15 | C14 | C13 | H15 | 33.1° | 60.0° |
| N15 | C14 | C13 | H16 | 85.9° | 60.0° |
| C14 | N15 | C16 | H18 | 31.3° | 60.0° |
| C14 | N15 | C16 | H19 | 88.0° | 60.0° |
| O26 | C14 | C13 | C12 | 28.6° | 0.0° |
| O26 | C14 | C13 | H15 | 149.2° | 120.0° |
| O26 | C14 | C13 | H16 | 91.8° | 120.0° |
| O26 | C14 | N15 | H17 | 178.3° | 180.0° |
| C14 | C13 | C12 | H15 | 120.5° | 120.0° |
| C14 | C13 | C12 | H16 | 120.5° | 119.9° |
| C14 | C13 | C12 | N11 | 153.9° | 180.0° |
| C14 | C13 | C12 | H13 | 33.5° | 60.0° |
| C14 | C13 | C12 | H14 | 85.7° | 60.0° |
| C14 | C13 | H15 | H16 | 118.4° | 120.0° |
| C13 | C14 | N15 | H17 | 4.0° | 0.0° |
| C13 | C12 | N11 | H13 | 120.4° | 120.1° |
| C13 | C12 | N11 | H14 | 120.4° | 120.0° |
| C13 | C12 | N11 | C10 | 91.8° | 180.0° |
| C13 | C12 | N11 | H12 | 88.2° | 0.0° |
| C13 | C12 | H13 | H14 | 118.9° | 120.1° |
| C12 | C13 | H15 | H16 | 118.4° | 120.0° |
| C12 | N11 | C10 | H12 | 180.0° | 180.0° |
| C12 | N11 | C10 | O27 | 2.0° | 4.8° |
| C12 | N11 | C10 | C08 | 178.8° | 175.2° |
| N11 | C12 | H13 | H14 | 118.9° | 119.9° |
| N11 | C12 | C13 | H15 | 85.6° | 60.0° |
| N11 | C12 | C13 | H16 | 33.4° | 60.0° |
| N11 | C10 | O27 | C08 | 176.3° | 180.0° |
| N11 | C10 | C08 | O09 | 8.2° | 169.2° |
| N11 | C10 | C08 | C05 | 119.9° | 70.8° |
| N11 | C10 | C08 | H10 | 124.6° | 49.2° |
| C10 | N11 | C12 | H13 | 28.6° | 59.9° |
| C10 | N11 | C12 | H14 | 147.9° | 60.0° |
| O27 | C10 | C08 | O09 | 175.2° | 10.8° |
| O27 | C10 | C08 | C05 | 56.7° | 109.2° |
| O27 | C10 | C08 | H10 | 58.9° | 130.8° |
| O27 | C10 | N11 | H12 | 178.0° | 175.2° |
| C10 | C08 | O09 | C05 | 128.4° | 120.0° |
| C10 | C08 | O09 | H10 | 115.4° | 120.0° |
| C10 | C08 | C05 | H10 | 115.7° | 120.0° |
| C10 | C08 | C05 | C04 | 67.7° | 54.3° |
| C10 | C08 | C05 | C07 | 174.7° | 174.3° |
| C10 | C08 | C05 | C06 | 52.7° | 65.7° |
| C10 | C08 | O09 | H11 | 180.0° | 60.0° |
| C08 | C10 | N11 | H12 | 1.3° | 4.8° |
| O09 | C08 | C05 | H10 | 117.3° | 120.0° |
| O09 | C08 | C05 | C04 | 165.3° | 65.7° |
| O09 | C08 | C05 | C07 | 47.6° | 54.3° |
| O09 | C08 | C05 | C06 | 74.3° | 174.3° |
| C08 | C05 | C04 | O03 | 55.4° | 180.0° |
| C08 | C05 | C04 | C07 | 117.2° | 120.0° |
| C08 | C05 | C04 | C06 | 122.6° | 120.0° |
| C08 | C05 | C07 | C06 | 121.9° | 120.0° |
| C08 | C05 | C04 | H2 | 176.3° | 60.0° |
| C08 | C05 | C04 | H3 | 65.4° | 60.0° |
| C08 | C05 | C06 | H4 | 180.0° | 174.7° |
| C08 | C05 | C06 | H5 | 60.0° | 54.7° |
| C08 | C05 | C06 | H6 | 60.0° | 65.4° |
| C08 | C05 | C07 | H7 | 180.0° | 66.7° |
| C08 | C05 | C07 | H8 | 60.0° | 53.3° |
| C08 | C05 | C07 | H9 | 60.0° | 173.2° |
| C05 | C08 | O09 | H11 | 51.7° | 60.0° |
| O28 | P02 | O03 | C04 | 157.6° | 45.0° |
| O28 | P02 | O03 | O01 | 121.1° | 120.1° |
| O28 | P02 | O03 | H27 | 117.3° | 120.0° |
| O28 | P02 | O01 | H27 | 117.2° | 120.0° |
| O28 | P02 | O01 | H1 | 0.0° | 59.9° |
| O03 | C04 | C05 | H2 | 120.9° | 120.0° |
| O03 | C04 | C05 | H3 | 120.8° | 120.0° |
| O03 | C04 | C05 | C07 | 61.7° | 60.0° |
| O03 | C04 | C05 | C06 | 178.0° | 60.0° |
| C04 | O03 | P02 | O01 | 36.5° | 165.0° |
| O03 | C04 | H2 | H3 | 117.4° | 119.9° |
| C04 | O03 | P02 | H27 | 85.1° | 75.0° |
| P02 | O03 | C04 | C05 | 153.7° | 180.0° |
| O03 | P02 | O01 | H27 | 121.6° | 120.0° |
| O03 | P02 | O01 | H1 | 121.2° | 180.0° |
| P02 | O03 | C04 | H2 | 32.9° | 60.0° |
| P02 | O03 | C04 | H3 | 85.4° | 60.0° |
| C04 | C05 | C07 | C06 | 117.8° | 120.0° |
| C05 | C04 | H2 | H3 | 117.4° | 120.0° |
| C04 | C05 | C06 | H4 | 57.2° | 65.3° |
| C04 | C05 | C06 | H5 | 62.9° | 174.7° |
| C04 | C05 | C06 | H6 | 177.1° | 54.6° |
| C04 | C05 | C07 | H7 | 59.7° | 53.3° |
| C04 | C05 | C07 | H8 | 179.7° | 173.3° |
| C04 | C05 | C07 | H9 | 60.3° | 66.8° |
| C04 | C05 | C08 | H10 | 48.0° | 174.3° |
| C07 | C05 | C04 | H2 | 59.1° | 60.0° |
| C07 | C05 | C04 | H3 | 177.4° | 180.0° |
| C07 | C05 | C06 | H4 | 60.7° | 54.7° |
| C07 | C05 | C06 | H5 | 179.2° | 65.3° |
| C07 | C05 | C06 | H6 | 59.3° | 174.6° |
| C05 | C07 | H7 | H8 | 120.0° | 120.0° |
| C05 | C07 | H7 | H9 | 120.0° | 120.0° |
| C05 | C07 | H8 | H9 | 120.0° | 119.9° |
| C07 | C05 | C08 | H10 | 69.7° | 65.7° |
| C06 | C05 | C04 | H2 | 61.1° | 180.0° |
| C06 | C05 | C04 | H3 | 57.2° | 60.0° |
| C05 | C06 | H4 | H5 | 120.0° | 120.0° |
| C05 | C06 | H4 | H6 | 120.0° | 120.0° |
| C05 | C06 | H5 | H6 | 120.0° | 120.1° |
| C06 | C05 | C07 | H7 | 58.1° | 173.3° |
| C06 | C05 | C07 | H8 | 61.9° | 66.7° |
| C06 | C05 | C07 | H9 | 178.1° | 53.2° |
| C06 | C05 | C08 | H10 | 168.4° | 54.3° |
| H1 | O01 | P02 | H27 | 117.2° | 60.1° |
| H4 | C06 | H5 | H6 | 120.0° | 119.9° |
| H7 | C07 | H8 | H9 | 120.0° | 120.0° |
| H10 | C08 | O09 | H11 | 64.6° | 180.0° |
| H12 | N11 | C12 | H13 | 151.4° | 120.1° |
| H12 | N11 | C12 | H14 | 32.1° | 120.0° |
| H13 | C12 | C13 | H15 | 154.1° | 180.0° |
| H13 | C12 | C13 | H16 | 86.9° | 60.0° |
| H14 | C12 | C13 | H15 | 34.8° | 60.0° |
| H14 | C12 | C13 | H16 | 153.8° | 180.0° |
| H17 | N15 | C16 | H18 | 148.7° | 120.0° |
| H17 | N15 | C16 | H19 | 92.0° | 119.9° |
| H18 | C16 | C17 | H20 | 163.0° | 180.0° |
| H18 | C16 | C17 | H21 | 78.0° | 60.0° |
| H19 | C16 | C17 | H20 | 43.6° | 60.0° |
| H19 | C16 | C17 | H21 | 162.7° | 180.0° |
| H22 | C21 | C22 | H23 | 0.4° | 0.3° |
| H23 | C22 | C23 | H24 | 0.7° | 0.4° |
| H24 | C23 | N24 | H25 | 0.7° | 0.3° |
