F3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | sing | 1.43Å | 1.36Å | |
| C20 | C06 | sing | 1.55Å | 1.56Å | |
| C20 | C22 | sing | 1.53Å | 1.60Å | |
| C20 | C19 | sing | 1.55Å | 1.37Å | |
| C06 | C07 | sing | 1.54Å | 1.59Å | |
| C06 | O05 | sing | 1.43Å | 1.42Å | |
| C07 | N08 | sing | 1.47Å | 1.33Å | |
| N23 | C22 | sing | 1.47Å | 1.50Å | |
| C19 | N08 | sing | 1.48Å | 1.64Å | |
| C24 | C25 | doub | 1.38Å | 1.54Å | Aromatic |
| C24 | C04 | sing | 1.39Å | 1.53Å | Aromatic |
| O05 | C04 | sing | 1.36Å | 1.43Å | |
| C25 | C26 | sing | 1.40Å | 1.55Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.54Å | Aromatic |
| N08 | S09 | sing | 1.66Å | 1.72Å | |
| C26 | C27 | sing | 1.43Å | 1.53Å | |
| C26 | C01 | doub | 1.40Å | 1.53Å | Aromatic |
| C03 | C01 | sing | 1.38Å | 1.53Å | Aromatic |
| C27 | N28 | trip | 1.14Å | 1.13Å | |
| C01 | F02 | sing | 1.35Å | 1.37Å | |
| S09 | O18 | doub | 1.42Å | 1.46Å | |
| S09 | O17 | doub | 1.42Å | 1.46Å | |
| S09 | C10 | sing | 1.76Å | 1.86Å | |
| C10 | C16 | doub | 1.38Å | 1.54Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.49Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.51Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.51Å | Aromatic |
| C15 | C13 | doub | 1.39Å | 1.50Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.53Å | Aromatic |
| C13 | CL14 | sing | 1.74Å | 1.79Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| N23 | H14 | sing | 1.01Å | 1.00Å | |
| N23 | H15 | sing | 1.01Å | 1.00Å | |
| O21 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C06 | 109.7° | 111.0° |
| O21 | C20 | C22 | 110.0° | 110.9° |
| O21 | C20 | C19 | 109.9° | 111.1° |
| C20 | O21 | H17 | 109.5° | 114.0° |
| C06 | C20 | C22 | 111.5° | 111.0° |
| C06 | C20 | C19 | 105.7° | 101.6° |
| C20 | C06 | C07 | 100.9° | 102.9° |
| C20 | C06 | O05 | 136.3° | 110.7° |
| C20 | C06 | H6 | 108.5° | 110.7° |
| C22 | C20 | C19 | 109.9° | 111.0° |
| C20 | C22 | N23 | 109.2° | 109.5° |
| C20 | C22 | H2 | 109.5° | 109.5° |
| C20 | C22 | H3 | 109.6° | 109.5° |
| C20 | C19 | N08 | 106.9° | 104.8° |
| C20 | C19 | H11 | 110.1° | 110.4° |
| C20 | C19 | H12 | 110.1° | 110.3° |
| C07 | C06 | O05 | 85.2° | 110.7° |
| C06 | C07 | N08 | 101.5° | 107.3° |
| C07 | C06 | H6 | 108.1° | 110.7° |
| C06 | C07 | H7 | 111.4° | 109.9° |
| C06 | C07 | H8 | 111.4° | 109.8° |
| C06 | O05 | C04 | 115.7° | 117.0° |
| O05 | C06 | H6 | 110.5° | 110.8° |
| C07 | N08 | C19 | 102.7° | 108.7° |
| C07 | N08 | S09 | 124.7° | 125.7° |
| N08 | C07 | H7 | 111.4° | 109.9° |
| N08 | C07 | H8 | 111.4° | 109.9° |
| N23 | C22 | H2 | 109.6° | 109.5° |
| N23 | C22 | H3 | 109.5° | 109.5° |
| C22 | N23 | H14 | 109.5° | 111.0° |
| C22 | N23 | H15 | 109.4° | 111.0° |
| C19 | N08 | S09 | 124.6° | 125.6° |
| N08 | C19 | H11 | 110.1° | 110.4° |
| N08 | C19 | H12 | 110.1° | 110.3° |
| C25 | C24 | C04 | 119.5° | 120.2° |
| C24 | C25 | C26 | 120.2° | 119.9° |
| C25 | C24 | H4 | 120.2° | 119.9° |
| C24 | C25 | H13 | 119.9° | 120.1° |
| C24 | C04 | O05 | 122.7° | 119.9° |
| C24 | C04 | C03 | 119.8° | 120.3° |
| C04 | C24 | H4 | 120.2° | 119.9° |
| O05 | C04 | C03 | 117.5° | 119.9° |
| C25 | C26 | C27 | 120.8° | 120.1° |
| C25 | C26 | C01 | 120.0° | 119.8° |
| C26 | C25 | H13 | 119.9° | 120.0° |
| C04 | C03 | C01 | 120.9° | 120.1° |
| C04 | C03 | H5 | 119.5° | 120.0° |
| N08 | S09 | O18 | 111.5° | 106.5° |
| N08 | S09 | O17 | 111.6° | 106.4° |
| N08 | S09 | C10 | 110.1° | 107.2° |
| C27 | C26 | C01 | 119.2° | 120.1° |
| C26 | C27 | N28 | 179.5° | 180.0° |
| C26 | C01 | C03 | 119.5° | 119.8° |
| C26 | C01 | F02 | 120.6° | 120.1° |
| C03 | C01 | F02 | 119.9° | 120.1° |
| C01 | C03 | H5 | 119.6° | 119.9° |
| O18 | S09 | O17 | 101.2° | 123.1° |
| O18 | S09 | C10 | 110.8° | 106.4° |
| O17 | S09 | C10 | 111.3° | 106.4° |
| S09 | C10 | C16 | 119.7° | 119.6° |
| S09 | C10 | N11 | 120.5° | 119.6° |
| C16 | C10 | N11 | 119.8° | 120.8° |
| C10 | C16 | C15 | 120.1° | 119.2° |
| C10 | C16 | H10 | 120.0° | 120.4° |
| C10 | N11 | C12 | 120.4° | 121.7° |
| C16 | C15 | C13 | 120.0° | 118.4° |
| C16 | C15 | H1 | 120.0° | 120.8° |
| C15 | C16 | H10 | 120.0° | 120.4° |
| N11 | C12 | C13 | 119.9° | 120.7° |
| N11 | C12 | H9 | 120.1° | 119.6° |
| C15 | C13 | C12 | 119.9° | 119.1° |
| C15 | C13 | CL14 | 119.8° | 120.5° |
| C13 | C15 | H1 | 120.0° | 120.7° |
| C12 | C13 | CL14 | 120.3° | 120.4° |
| C13 | C12 | H9 | 120.0° | 119.7° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 110.0° |
| H11 | C19 | H12 | 109.5° | 110.4° |
| H14 | N23 | H15 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C06 | C22 | 122.1° | 123.8° |
| O21 | C20 | C06 | C19 | 118.5° | 118.1° |
| O21 | C20 | C22 | C19 | 121.2° | 124.0° |
| O21 | C20 | C06 | C07 | 93.7° | 82.6° |
| O21 | C20 | C06 | O05 | 171.9° | 159.0° |
| O21 | C20 | C22 | N23 | 43.7° | 61.1° |
| O21 | C20 | C19 | N08 | 118.5° | 81.1° |
| O21 | C20 | C22 | H2 | 163.7° | 178.9° |
| O21 | C20 | C22 | H3 | 76.3° | 58.8° |
| O21 | C20 | C06 | H6 | 19.7° | 35.7° |
| O21 | C20 | C19 | H11 | 121.9° | 160.1° |
| O21 | C20 | C19 | H12 | 1.1° | 37.7° |
| C06 | C20 | C22 | C19 | 116.9° | 112.2° |
| C20 | C06 | C07 | O05 | 136.3° | 118.3° |
| C20 | C06 | C07 | H6 | 113.8° | 118.4° |
| C20 | C06 | O05 | H6 | 151.8° | 123.2° |
| C20 | C06 | C07 | N08 | 45.3° | 22.2° |
| C06 | C20 | C22 | N23 | 165.7° | 175.0° |
| C06 | C20 | C19 | N08 | 0.2° | 37.0° |
| C20 | C06 | O05 | C04 | 93.0° | 156.3° |
| C06 | C20 | C22 | H2 | 74.3° | 55.0° |
| C06 | C20 | C22 | H3 | 45.7° | 65.0° |
| C20 | C06 | C07 | H7 | 73.4° | 97.2° |
| C20 | C06 | C07 | H8 | 164.0° | 141.6° |
| C06 | C20 | C19 | H11 | 119.8° | 81.8° |
| C06 | C20 | C19 | H12 | 119.5° | 155.8° |
| C06 | C20 | O21 | H17 | 180.0° | 180.0° |
| C22 | C20 | C06 | C07 | 144.1° | 153.6° |
| C22 | C20 | C06 | O05 | 49.7° | 35.2° |
| C20 | C22 | N23 | H2 | 120.0° | 120.0° |
| C20 | C22 | N23 | H3 | 120.0° | 120.0° |
| C22 | C20 | C19 | N08 | 120.3° | 155.1° |
| C20 | C22 | H2 | H3 | 120.1° | 120.0° |
| C22 | C20 | C06 | H6 | 102.4° | 88.1° |
| C22 | C20 | C19 | H11 | 0.6° | 36.2° |
| C22 | C20 | C19 | H12 | 120.1° | 86.1° |
| C20 | C22 | N23 | H14 | 180.0° | 56.1° |
| C20 | C22 | N23 | H15 | 60.0° | 180.0° |
| C22 | C20 | O21 | H17 | 57.0° | 56.1° |
| C19 | C20 | C06 | C07 | 24.8° | 35.5° |
| C19 | C20 | C06 | O05 | 69.6° | 82.8° |
| C20 | C19 | N08 | C07 | 30.7° | 24.1° |
| C19 | C20 | C22 | N23 | 77.5° | 62.8° |
| C20 | C19 | N08 | H11 | 119.6° | 118.9° |
| C20 | C19 | N08 | H12 | 119.6° | 118.8° |
| C20 | C19 | N08 | S09 | 119.0° | 155.8° |
| C19 | C20 | C22 | H2 | 42.5° | 57.1° |
| C19 | C20 | C22 | H3 | 162.6° | 177.2° |
| C19 | C20 | C06 | H6 | 138.2° | 153.9° |
| C20 | C19 | H11 | H12 | 121.1° | 122.3° |
| C19 | C20 | O21 | H17 | 64.1° | 67.8° |
| C07 | C06 | O05 | H6 | 107.6° | 123.3° |
| C06 | C07 | N08 | H7 | 118.7° | 119.4° |
| C06 | C07 | N08 | H8 | 118.7° | 119.4° |
| C06 | C07 | N08 | C19 | 44.4° | 1.1° |
| C07 | C06 | O05 | C04 | 166.3° | 90.2° |
| C06 | C07 | N08 | S09 | 105.2° | 178.9° |
| C06 | C07 | H7 | H8 | 123.7° | 121.0° |
| O05 | C06 | C07 | N08 | 91.0° | 96.1° |
| C06 | O05 | C04 | C24 | 37.5° | 174.5° |
| C06 | O05 | C04 | C03 | 144.1° | 5.5° |
| O05 | C06 | C07 | H7 | 150.3° | 144.4° |
| O05 | C06 | C07 | H8 | 27.7° | 23.3° |
| C07 | N08 | C19 | S09 | 149.7° | 179.9° |
| C07 | N08 | S09 | O18 | 47.8° | 156.4° |
| C07 | N08 | S09 | O17 | 160.2° | 23.5° |
| C07 | N08 | S09 | C10 | 75.7° | 90.0° |
| N08 | C07 | C06 | H6 | 159.0° | 140.6° |
| N08 | C07 | H7 | H8 | 123.7° | 121.1° |
| C07 | N08 | C19 | H11 | 150.3° | 94.7° |
| C07 | N08 | C19 | H12 | 88.9° | 142.9° |
| N23 | C22 | H2 | H3 | 120.1° | 120.0° |
| C22 | N23 | H14 | H15 | 120.0° | 124.0° |
| C19 | N08 | S09 | O18 | 169.0° | 23.5° |
| C19 | N08 | S09 | O17 | 56.6° | 156.4° |
| C19 | N08 | S09 | C10 | 67.6° | 90.0° |
| C19 | N08 | C07 | H7 | 74.3° | 120.5° |
| C19 | N08 | C07 | H8 | 163.1° | 118.3° |
| N08 | C19 | H11 | H12 | 121.2° | 122.3° |
| C25 | C24 | C04 | H4 | 180.0° | 179.7° |
| C25 | C24 | C04 | O05 | 179.2° | 180.0° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C25 | C24 | C04 | C03 | 0.9° | 0.1° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C26 | C01 | 0.1° | 0.0° |
| C24 | C04 | O05 | C03 | 178.4° | 180.0° |
| C04 | C24 | C25 | C26 | 0.4° | 0.0° |
| C24 | C04 | C03 | C01 | 0.9° | 0.1° |
| C24 | C04 | C03 | H5 | 179.1° | 179.9° |
| C04 | C24 | C25 | H13 | 179.6° | 180.0° |
| O05 | C04 | C03 | C01 | 179.4° | 180.0° |
| O05 | C04 | C24 | H4 | 0.8° | 0.3° |
| O05 | C04 | C03 | H5 | 0.6° | 0.0° |
| C04 | O05 | C06 | H6 | 58.8° | 33.1° |
| C25 | C26 | C27 | C01 | 179.9° | 180.0° |
| C25 | C26 | C01 | C03 | 0.1° | 0.0° |
| C25 | C26 | C27 | N28 | 140.8° | 47.2° |
| C25 | C26 | C01 | F02 | 180.0° | 180.0° |
| C26 | C25 | C24 | H4 | 179.6° | 179.7° |
| C04 | C03 | C01 | C26 | 0.6° | 0.1° |
| C04 | C03 | C01 | H5 | 180.0° | 180.0° |
| C04 | C03 | C01 | F02 | 179.6° | 180.0° |
| C03 | C04 | C24 | H4 | 179.1° | 179.7° |
| N08 | S09 | O18 | O17 | 118.8° | 123.0° |
| N08 | S09 | O18 | C10 | 123.1° | 114.1° |
| N08 | S09 | O17 | C10 | 123.5° | 114.1° |
| N08 | S09 | C10 | C16 | 99.3° | 90.0° |
| N08 | S09 | C10 | N11 | 80.6° | 90.3° |
| S09 | N08 | C07 | H7 | 136.1° | 59.4° |
| S09 | N08 | C07 | H8 | 13.5° | 61.7° |
| S09 | N08 | C19 | H11 | 0.6° | 85.3° |
| S09 | N08 | C19 | H12 | 121.4° | 37.0° |
| C27 | C26 | C01 | C03 | 179.8° | 180.0° |
| C27 | C26 | C01 | F02 | 0.1° | 0.0° |
| C27 | C26 | C25 | H13 | 0.2° | 0.0° |
| C26 | C01 | C03 | F02 | 179.9° | 179.9° |
| C01 | C26 | C27 | N28 | 39.3° | 132.8° |
| C26 | C01 | C03 | H5 | 179.5° | 179.9° |
| C01 | C26 | C25 | H13 | 179.9° | 180.0° |
| F02 | C01 | C03 | H5 | 0.4° | 0.0° |
| O18 | S09 | O17 | C10 | 117.8° | 122.9° |
| O18 | S09 | C10 | C16 | 24.6° | 23.5° |
| O18 | S09 | C10 | N11 | 155.5° | 156.1° |
| O17 | S09 | C10 | C16 | 136.4° | 156.4° |
| O17 | S09 | C10 | N11 | 43.7° | 23.2° |
| S09 | C10 | C16 | N11 | 179.9° | 179.6° |
| S09 | C10 | C16 | C15 | 180.0° | 179.7° |
| S09 | C10 | N11 | C12 | 179.8° | 179.8° |
| S09 | C10 | C16 | H10 | 0.0° | 0.3° |
| C10 | C16 | C15 | H10 | 180.0° | 180.0° |
| C16 | C10 | N11 | C12 | 0.1° | 0.1° |
| C10 | C16 | C15 | C13 | 0.2° | 0.0° |
| C10 | C16 | C15 | H1 | 179.8° | 180.0° |
| N11 | C10 | C16 | C15 | 0.1° | 0.1° |
| C10 | N11 | C12 | C13 | 0.2° | 0.1° |
| C10 | N11 | C12 | H9 | 179.8° | 179.9° |
| N11 | C10 | C16 | H10 | 179.9° | 179.9° |
| C16 | C15 | C13 | H1 | 180.0° | 180.0° |
| C16 | C15 | C13 | C12 | 0.1° | 0.0° |
| C16 | C15 | C13 | CL14 | 179.9° | 180.0° |
| N11 | C12 | C13 | C15 | 0.1° | 0.0° |
| N11 | C12 | C13 | H9 | 180.0° | 180.0° |
| N11 | C12 | C13 | CL14 | 179.9° | 179.9° |
| C15 | C13 | C12 | CL14 | 180.0° | 180.0° |
| C15 | C13 | C12 | H9 | 179.9° | 180.0° |
| C13 | C15 | C16 | H10 | 179.8° | 180.0° |
| C12 | C13 | C15 | H1 | 179.9° | 180.0° |
| CL14 | C13 | C15 | H1 | 0.1° | 0.0° |
| CL14 | C13 | C12 | H9 | 0.1° | 0.0° |
| H1 | C15 | C16 | H10 | 0.2° | 0.0° |
| H2 | C22 | N23 | H14 | 60.1° | 63.9° |
| H2 | C22 | N23 | H15 | 179.9° | 60.0° |
| H3 | C22 | N23 | H14 | 60.0° | 176.0° |
| H3 | C22 | N23 | H15 | 60.0° | 60.0° |
| H4 | C24 | C25 | H13 | 0.4° | 0.3° |
| H6 | C06 | C07 | H7 | 40.3° | 21.1° |
| H6 | C06 | C07 | H8 | 82.3° | 100.0° |
