FMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N10 | sing | 1.46Å | 1.47Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C2 | C30 | sing | 1.53Å | 1.52Å | |
| C3 | N25 | sing | 1.46Å | 1.46Å | |
| C4 | N1 | sing | 1.38Å | 1.36Å | |
| C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | N7 | doub | 1.33Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.39Å | |
| C11 | O14 | doub | 1.22Å | 1.25Å | |
| C11 | N10 | sing | 1.35Å | 1.41Å | |
| C12 | C13 | doub | 1.36Å | 1.40Å | |
| C12 | O15 | sing | 1.36Å | 1.37Å | |
| C13 | C8 | sing | 1.46Å | 1.40Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | O15 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.37Å | 1.41Å | |
| C9 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C19 | F23 | sing | 1.35Å | 1.35Å | |
| N25 | N29 | sing | 1.29Å | 1.39Å | Aromatic |
| N25 | N26 | sing | 1.29Å | 1.39Å | Aromatic |
| N29 | C28 | doub | 1.31Å | 1.35Å | Aromatic |
| C28 | N27 | sing | 1.33Å | 1.36Å | Aromatic |
| N27 | N26 | doub | 1.29Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C16 | 119.8° | 119.9° |
| C20 | C21 | F22 | 119.2° | 120.0° |
| C21 | C20 | C19 | 119.8° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C16 | C21 | F22 | 120.9° | 120.0° |
| C21 | C16 | C17 | 120.0° | 120.0° |
| C21 | C16 | O15 | 122.1° | 120.1° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C20 | C19 | F23 | 120.1° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C24 | N10 | C11 | 119.9° | 119.5° |
| C24 | N10 | C9 | 120.9° | 119.5° |
| N10 | C24 | H24 | 109.5° | 109.5° |
| N10 | C24 | H24A | 109.5° | 109.5° |
| N10 | C24 | H24B | 109.5° | 109.4° |
| C17 | C18 | C19 | 119.8° | 120.1° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C18 | C19 | F23 | 119.6° | 119.9° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C8 | C6 | N7 | 120.1° | 118.4° |
| C6 | C8 | C13 | 121.4° | 122.0° |
| C6 | C8 | C9 | 118.8° | 118.8° |
| C8 | C6 | H6 | 119.9° | 120.8° |
| C6 | N7 | C4 | 120.3° | 121.2° |
| N7 | C6 | H6 | 120.0° | 120.8° |
| C3 | C2 | N1 | 106.0° | 109.4° |
| C3 | C2 | C30 | 110.8° | 109.5° |
| C2 | C3 | N25 | 110.7° | 109.5° |
| C3 | C2 | H2 | 110.9° | 109.4° |
| C2 | C3 | H3 | 109.1° | 109.4° |
| C2 | C3 | H3A | 108.8° | 109.5° |
| N1 | C2 | C30 | 109.6° | 109.5° |
| C2 | N1 | C4 | 121.2° | 119.9° |
| N1 | C2 | H2 | 112.1° | 109.5° |
| C2 | N1 | HN1 | 105.7° | 120.0° |
| C30 | C2 | H2 | 107.4° | 109.5° |
| C2 | C30 | H30 | 109.5° | 109.5° |
| C2 | C30 | H30A | 109.5° | 109.4° |
| C2 | C30 | H30B | 109.4° | 109.5° |
| C3 | N25 | N29 | 123.2° | 125.5° |
| C3 | N25 | N26 | 123.3° | 125.5° |
| N25 | C3 | H3 | 109.1° | 109.5° |
| N25 | C3 | H3A | 108.8° | 109.5° |
| N1 | C4 | N5 | 119.3° | 118.7° |
| N1 | C4 | N7 | 120.2° | 118.8° |
| C4 | N1 | HN1 | 105.8° | 120.0° |
| N5 | C4 | N7 | 120.5° | 122.5° |
| C4 | N5 | C9 | 121.1° | 120.4° |
| C12 | C11 | O14 | 119.7° | 119.1° |
| C12 | C11 | N10 | 120.3° | 121.7° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C11 | C12 | O15 | 118.0° | 120.0° |
| O14 | C11 | N10 | 120.1° | 119.1° |
| C11 | N10 | C9 | 119.2° | 120.9° |
| C13 | C12 | O15 | 122.0° | 120.0° |
| C12 | C13 | C8 | 120.4° | 118.3° |
| C12 | C13 | H13 | 119.8° | 120.9° |
| C12 | O15 | C16 | 123.0° | 118.0° |
| C13 | C8 | C9 | 119.8° | 119.2° |
| C8 | C13 | H13 | 119.8° | 120.8° |
| C17 | C16 | O15 | 117.9° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.1° |
| C8 | C9 | N10 | 120.2° | 119.7° |
| C8 | C9 | N5 | 119.2° | 118.7° |
| N10 | C9 | N5 | 120.6° | 121.6° |
| N29 | N25 | N26 | 113.5° | 109.0° |
| N25 | N29 | C28 | 103.9° | 107.9° |
| N25 | N26 | N27 | 102.0° | 108.8° |
| N29 | C28 | N27 | 110.8° | 106.9° |
| N29 | C28 | H28 | 124.6° | 126.5° |
| C28 | N27 | N26 | 109.9° | 107.3° |
| N27 | C28 | H28 | 124.6° | 126.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H3 | C3 | H3A | 110.4° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C16 | F22 | 179.7° | 179.7° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C20 | C21 | C16 | C17 | 0.3° | 0.0° |
| C20 | C21 | C16 | O15 | 179.9° | 180.0° |
| C21 | C20 | C19 | F23 | 179.8° | 180.0° |
| C16 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C16 | C17 | C18 | 0.3° | 0.1° |
| C21 | C16 | O15 | C12 | 54.6° | 174.3° |
| C21 | C16 | C17 | O15 | 179.8° | 180.0° |
| C16 | C21 | C20 | H20 | 179.8° | 180.0° |
| C21 | C16 | C17 | H17 | 179.7° | 179.9° |
| F22 | C21 | C20 | C19 | 179.9° | 179.8° |
| F22 | C21 | C16 | C17 | 180.0° | 179.8° |
| F22 | C21 | C16 | O15 | 0.2° | 0.3° |
| F22 | C21 | C20 | H20 | 0.1° | 0.3° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C20 | C19 | C18 | F23 | 179.8° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C24 | N10 | C11 | C12 | 179.7° | 180.0° |
| C24 | N10 | C11 | O14 | 0.2° | 0.0° |
| C24 | N10 | C11 | C9 | 180.0° | 179.9° |
| C24 | N10 | C9 | C8 | 179.9° | 180.0° |
| C24 | N10 | C9 | N5 | 0.0° | 0.0° |
| N10 | C24 | H24 | H24A | 120.0° | 120.0° |
| N10 | C24 | H24 | H24B | 120.0° | 120.0° |
| N10 | C24 | H24A | H24B | 120.0° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | O15 | 179.9° | 180.0° |
| C17 | C18 | C19 | F23 | 179.8° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.1° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| C8 | C6 | N7 | H6 | 180.0° | 179.6° |
| C8 | C6 | N7 | C4 | 0.0° | 0.0° |
| C6 | C8 | C13 | C12 | 179.8° | 180.0° |
| C6 | C8 | C13 | C9 | 180.0° | 180.0° |
| C6 | C8 | C9 | N10 | 179.8° | 180.0° |
| C6 | C8 | C9 | N5 | 0.1° | 0.0° |
| C6 | C8 | C13 | H13 | 0.2° | 0.0° |
| C6 | N7 | C4 | N1 | 179.8° | 180.0° |
| C6 | N7 | C4 | N5 | 0.3° | 0.0° |
| N7 | C6 | C8 | C13 | 179.8° | 180.0° |
| N7 | C6 | C8 | C9 | 0.2° | 0.0° |
| C3 | C2 | N1 | C30 | 119.7° | 120.0° |
| C3 | C2 | N1 | H2 | 121.2° | 119.9° |
| C3 | C2 | C30 | H2 | 121.3° | 120.0° |
| C2 | C3 | N25 | H3 | 120.0° | 120.0° |
| C2 | C3 | N25 | H3A | 119.5° | 120.0° |
| C3 | C2 | N1 | C4 | 101.7° | 155.0° |
| C2 | C3 | N25 | N29 | 97.9° | 90.0° |
| C2 | C3 | N25 | N26 | 81.6° | 90.4° |
| C2 | C3 | H3 | H3A | 119.5° | 119.9° |
| C3 | C2 | N1 | HN1 | 18.4° | 25.0° |
| C3 | C2 | C30 | H30 | 68.3° | 180.0° |
| C3 | C2 | C30 | H30A | 51.7° | 60.0° |
| C3 | C2 | C30 | H30B | 171.8° | 60.0° |
| N1 | C2 | C30 | H2 | 122.0° | 120.1° |
| N1 | C2 | C3 | N25 | 66.6° | 65.0° |
| C2 | N1 | C4 | HN1 | 120.0° | 180.0° |
| C2 | N1 | C4 | N5 | 4.0° | 180.0° |
| C2 | N1 | C4 | N7 | 176.5° | 0.0° |
| N1 | C2 | C3 | H3 | 173.4° | 175.0° |
| N1 | C2 | C3 | H3A | 52.9° | 55.1° |
| N1 | C2 | C30 | H30 | 48.4° | 60.0° |
| N1 | C2 | C30 | H30A | 168.4° | 60.0° |
| N1 | C2 | C30 | H30B | 71.6° | 180.0° |
| C30 | C2 | C3 | N25 | 174.5° | 175.0° |
| C30 | C2 | N1 | C4 | 138.7° | 85.0° |
| C30 | C2 | C3 | H3 | 54.5° | 55.0° |
| C30 | C2 | C3 | H3A | 66.0° | 64.9° |
| C30 | C2 | N1 | HN1 | 101.3° | 95.0° |
| C2 | C30 | H30 | H30A | 120.0° | 120.0° |
| C2 | C30 | H30 | H30B | 120.0° | 120.0° |
| C2 | C30 | H30A | H30B | 120.0° | 120.0° |
| C3 | N25 | N29 | N26 | 179.6° | 179.7° |
| C3 | N25 | N29 | C28 | 179.6° | 180.0° |
| C3 | N25 | N26 | N27 | 179.8° | 179.9° |
| N25 | C3 | C2 | H2 | 55.3° | 55.0° |
| N25 | C3 | H3 | H3A | 119.5° | 120.0° |
| N1 | C4 | N5 | N7 | 179.5° | 180.0° |
| N1 | C4 | N5 | C9 | 179.9° | 180.0° |
| C4 | N1 | C2 | H2 | 19.5° | 35.0° |
| C4 | N5 | C9 | C8 | 0.2° | 0.0° |
| C4 | N5 | C9 | N10 | 179.8° | 180.0° |
| N5 | C4 | N1 | HN1 | 116.0° | 0.0° |
| N7 | C4 | N5 | C9 | 0.4° | 0.0° |
| C4 | N7 | C6 | H6 | 180.0° | 179.7° |
| N7 | C4 | N1 | HN1 | 63.5° | 180.0° |
| C12 | C11 | O14 | N10 | 180.0° | 179.9° |
| C11 | C12 | C13 | O15 | 179.7° | 180.0° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | O15 | C16 | 156.1° | 67.1° |
| C12 | C11 | N10 | C9 | 0.3° | 0.1° |
| C11 | C12 | C13 | H13 | 179.4° | 180.0° |
| O14 | C11 | C12 | C13 | 179.4° | 180.0° |
| O14 | C11 | C12 | O15 | 0.3° | 0.1° |
| O14 | C11 | N10 | C9 | 179.8° | 180.0° |
| N10 | C11 | C12 | C13 | 0.6° | 0.0° |
| N10 | C11 | C12 | O15 | 179.7° | 180.0° |
| C11 | N10 | C9 | C8 | 0.1° | 0.1° |
| C11 | N10 | C9 | N5 | 179.9° | 180.0° |
| C11 | N10 | C24 | H24 | 102.7° | 0.0° |
| C11 | N10 | C24 | H24A | 17.3° | 120.1° |
| C11 | N10 | C24 | H24B | 137.3° | 120.0° |
| C12 | C13 | C8 | H13 | 180.0° | 179.9° |
| C13 | C12 | O15 | C16 | 24.2° | 113.0° |
| C12 | C13 | C8 | C9 | 0.2° | 0.0° |
| O15 | C12 | C13 | C8 | 179.7° | 179.9° |
| C12 | O15 | C16 | C17 | 125.6° | 5.7° |
| O15 | C12 | C13 | H13 | 0.3° | 0.0° |
| C13 | C8 | C9 | N10 | 0.1° | 0.0° |
| C13 | C8 | C9 | N5 | 179.9° | 180.0° |
| C13 | C8 | C6 | H6 | 0.2° | 0.3° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| O15 | C16 | C17 | H17 | 0.1° | 0.1° |
| C8 | C9 | N10 | N5 | 179.9° | 180.0° |
| C9 | C8 | C6 | H6 | 179.7° | 179.7° |
| C9 | C8 | C13 | H13 | 179.8° | 180.0° |
| C9 | N10 | C24 | H24 | 77.3° | 180.0° |
| C9 | N10 | C24 | H24A | 162.7° | 60.0° |
| C9 | N10 | C24 | H24B | 42.7° | 60.0° |
| F23 | C19 | C20 | H20 | 0.2° | 0.0° |
| F23 | C19 | C18 | H18 | 0.2° | 0.0° |
| N25 | N29 | C28 | N27 | 0.2° | 0.1° |
| N29 | N25 | N26 | N27 | 0.2° | 0.5° |
| N29 | N25 | C3 | H3 | 142.0° | 30.0° |
| N29 | N25 | C3 | H3A | 21.5° | 149.9° |
| N25 | N29 | C28 | H28 | 179.9° | 180.0° |
| N26 | N25 | N29 | C28 | 0.0° | 0.3° |
| N25 | N26 | N27 | C28 | 0.3° | 0.4° |
| N26 | N25 | C3 | H3 | 38.4° | 149.7° |
| N26 | N25 | C3 | H3A | 159.0° | 29.7° |
| N29 | C28 | N27 | H28 | 180.0° | 179.9° |
| N29 | C28 | N27 | N26 | 0.3° | 0.2° |
| N26 | N27 | C28 | H28 | 179.7° | 179.7° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H18 | C18 | C17 | H17 | 0.2° | 0.0° |
| H2 | C2 | C3 | H3 | 64.7° | 65.0° |
| H2 | C2 | C3 | H3A | 174.8° | 175.1° |
| H2 | C2 | N1 | HN1 | 139.5° | 144.9° |
| H2 | C2 | C30 | H30 | 170.4° | 60.0° |
| H2 | C2 | C30 | H30A | 69.6° | 179.9° |
| H2 | C2 | C30 | H30B | 50.4° | 60.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
