5FB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.40Å | 1.45Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C21 | C22 | sing | 1.43Å | 1.53Å | |
| C22 | N23 | trip | 1.14Å | 1.13Å | |
| C25 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| F27 | C26 | sing | 1.40Å | 1.36Å | |
| F29 | C26 | sing | 1.40Å | 1.37Å | |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| C26 | F28 | sing | 1.40Å | 1.36Å | |
| O02 | C01 | sing | 1.43Å | 1.42Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| C16 | C03 | doub | 1.39Å | 1.46Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.46Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.45Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C14 | C05 | sing | 1.38Å | 1.45Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C12 | C07 | sing | 1.51Å | 1.44Å | |
| C07 | S08 | sing | 1.83Å | 1.62Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C09 | S08 | sing | 1.77Å | 1.66Å | |
| N11 | C09 | sing | 1.34Å | 1.41Å | |
| C09 | O10 | doub | 1.22Å | 1.19Å | |
| C12 | N11 | sing | 1.32Å | 1.53Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| O13 | C12 | doub | 1.21Å | 1.19Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | O17 | sing | 1.36Å | 1.40Å | |
| O17 | C18 | sing | 1.36Å | 1.41Å | |
| C25 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 118.9° | 120.0° |
| C14 | C15 | H15 | 120.6° | 120.0° |
| C15 | C14 | C05 | 119.2° | 120.1° |
| C15 | C14 | H14 | 120.4° | 119.9° |
| C16 | C15 | H15 | 120.6° | 120.0° |
| C15 | C16 | C03 | 122.4° | 119.8° |
| C15 | C16 | O17 | 118.3° | 120.1° |
| C21 | C20 | C19 | 120.0° | 119.9° |
| C21 | C20 | H20 | 120.0° | 120.1° |
| C20 | C21 | C24 | 121.5° | 119.8° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | C18 | 118.1° | 120.1° |
| C20 | C19 | H19 | 121.0° | 119.9° |
| C24 | C21 | C22 | 118.4° | 120.1° |
| C21 | C24 | C25 | 118.8° | 119.9° |
| C21 | C24 | H24 | 120.6° | 120.0° |
| C21 | C22 | N23 | 178.4° | 180.0° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | C26 | 121.9° | 120.0° |
| C24 | C25 | C18 | 119.9° | 120.1° |
| F27 | C26 | F29 | 110.7° | 109.5° |
| F27 | C26 | C25 | 108.8° | 109.5° |
| F27 | C26 | F28 | 105.6° | 109.5° |
| F29 | C26 | C25 | 108.4° | 109.5° |
| F29 | C26 | F28 | 111.4° | 109.4° |
| C25 | C26 | F28 | 111.8° | 109.5° |
| C26 | C25 | C18 | 118.1° | 119.9° |
| O02 | C01 | H01 | 109.5° | 109.4° |
| O02 | C01 | H01A | 109.5° | 109.4° |
| O02 | C01 | H01B | 109.4° | 109.5° |
| C01 | O02 | C03 | 120.4° | 117.0° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| O02 | C03 | C16 | 119.3° | 120.1° |
| O02 | C03 | C04 | 121.6° | 120.1° |
| C16 | C03 | C04 | 119.1° | 119.9° |
| C03 | C16 | O17 | 119.3° | 120.1° |
| C03 | C04 | C05 | 117.5° | 120.0° |
| C03 | C04 | H04 | 121.3° | 120.0° |
| C05 | C04 | H04 | 121.3° | 120.0° |
| C04 | C05 | C14 | 123.1° | 120.2° |
| C04 | C05 | C06 | 120.7° | 119.9° |
| C14 | C05 | C06 | 116.0° | 119.9° |
| C05 | C14 | H14 | 120.4° | 120.0° |
| C05 | C06 | C07 | 119.3° | 109.5° |
| C05 | C06 | H06 | 106.3° | 109.4° |
| C05 | C06 | H06A | 106.3° | 109.4° |
| C07 | C06 | H06 | 106.3° | 109.5° |
| C07 | C06 | H06A | 106.3° | 109.5° |
| C06 | C07 | C12 | 119.8° | 110.7° |
| C06 | C07 | S08 | 126.1° | 110.7° |
| C06 | C07 | H07 | 77.0° | 110.6° |
| H06 | C06 | H06A | 112.4° | 109.5° |
| C12 | C07 | S08 | 110.0° | 103.0° |
| C12 | C07 | H07 | 115.1° | 110.9° |
| C07 | C12 | N11 | 107.8° | 113.8° |
| C07 | C12 | O13 | 123.2° | 123.1° |
| S08 | C07 | H07 | 100.5° | 110.7° |
| C07 | S08 | C09 | 99.7° | 94.3° |
| S08 | C09 | N11 | 108.9° | 107.7° |
| S08 | C09 | O10 | 128.0° | 126.2° |
| N11 | C09 | O10 | 122.1° | 126.2° |
| C09 | N11 | C12 | 110.6° | 121.3° |
| C09 | N11 | HN11 | 124.7° | 119.4° |
| C12 | N11 | HN11 | 124.7° | 119.4° |
| N11 | C12 | O13 | 124.8° | 123.1° |
| C16 | O17 | C18 | 110.9° | 118.0° |
| O17 | C18 | C25 | 115.9° | 119.9° |
| O17 | C18 | C19 | 122.2° | 119.9° |
| C25 | C18 | C19 | 121.7° | 120.2° |
| C18 | C19 | H19 | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | C03 | 0.3° | 0.2° |
| C15 | C14 | C05 | C04 | 0.5° | 0.5° |
| C15 | C14 | C05 | H14 | 180.0° | 180.0° |
| C15 | C14 | C05 | C06 | 175.3° | 179.7° |
| C14 | C15 | C16 | O17 | 177.2° | 179.7° |
| C15 | C16 | C03 | O02 | 179.5° | 180.0° |
| C15 | C16 | C03 | O17 | 176.9° | 179.9° |
| C15 | C16 | C03 | C04 | 0.6° | 0.0° |
| C16 | C15 | C14 | C05 | 0.2° | 0.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C16 | O17 | C18 | 66.0° | 99.0° |
| H15 | C15 | C16 | C03 | 179.7° | 180.0° |
| H15 | C15 | C14 | C05 | 179.8° | 179.7° |
| H15 | C15 | C14 | H14 | 0.2° | 0.3° |
| H15 | C15 | C16 | O17 | 2.7° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.7° |
| C20 | C21 | C24 | C22 | 179.9° | 180.0° |
| C20 | C21 | C22 | N23 | 131.3° | 172.9° |
| C20 | C21 | C24 | C25 | 0.1° | 0.0° |
| C20 | C21 | C24 | H24 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.4° |
| C21 | C20 | C19 | H19 | 179.7° | 179.8° |
| C19 | C20 | C21 | C24 | 0.3° | 0.3° |
| C19 | C20 | C21 | C22 | 179.8° | 179.7° |
| C20 | C19 | C18 | O17 | 175.6° | 179.9° |
| C20 | C19 | C18 | C25 | 0.1° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| H20 | C20 | C21 | C24 | 179.7° | 180.0° |
| H20 | C20 | C21 | C22 | 0.2° | 0.0° |
| H20 | C20 | C19 | C18 | 179.7° | 179.9° |
| H20 | C20 | C19 | H19 | 0.3° | 0.1° |
| C24 | C21 | C22 | N23 | 48.7° | 7.1° |
| C21 | C24 | C25 | H24 | 180.0° | 180.0° |
| C21 | C24 | C25 | C26 | 177.4° | 180.0° |
| C21 | C24 | C25 | C18 | 0.3° | 0.3° |
| C22 | C21 | C24 | C25 | 179.8° | 180.0° |
| C22 | C21 | C24 | H24 | 0.2° | 0.0° |
| C24 | C25 | C26 | F27 | 115.3° | 119.9° |
| C24 | C25 | C26 | F29 | 5.2° | 120.0° |
| C24 | C25 | C26 | C18 | 177.2° | 179.8° |
| C24 | C25 | C26 | F28 | 128.5° | 0.0° |
| C24 | C25 | C18 | O17 | 176.2° | 179.7° |
| C24 | C25 | C18 | C19 | 0.3° | 0.2° |
| H24 | C24 | C25 | C26 | 2.5° | 0.0° |
| H24 | C24 | C25 | C18 | 179.6° | 179.7° |
| F27 | C26 | F29 | C25 | 119.3° | 120.0° |
| F27 | C26 | F29 | F28 | 117.2° | 120.0° |
| F27 | C26 | C25 | F28 | 116.3° | 120.0° |
| F27 | C26 | C25 | C18 | 61.9° | 60.3° |
| F29 | C26 | C25 | F28 | 123.2° | 120.0° |
| F29 | C26 | C25 | C18 | 177.6° | 59.8° |
| C26 | C25 | C18 | O17 | 6.6° | 0.0° |
| C26 | C25 | C18 | C19 | 177.5° | 180.0° |
| F28 | C26 | C25 | C18 | 54.4° | 179.7° |
| O02 | C01 | H01 | H01A | 120.0° | 119.9° |
| O02 | C01 | H01 | H01B | 120.0° | 120.0° |
| O02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | O02 | C03 | C16 | 145.4° | 180.0° |
| C01 | O02 | C03 | C04 | 35.7° | 0.0° |
| H01 | C01 | H01A | H01B | 120.0° | 120.1° |
| H01 | C01 | O02 | C03 | 180.0° | 60.0° |
| H01A | C01 | O02 | C03 | 60.0° | 59.9° |
| H01B | C01 | O02 | C03 | 60.0° | 180.0° |
| O02 | C03 | C16 | C04 | 178.9° | 180.0° |
| O02 | C03 | C04 | C05 | 179.2° | 179.5° |
| O02 | C03 | C04 | H04 | 0.8° | 0.0° |
| O02 | C03 | C16 | O17 | 3.6° | 0.1° |
| C16 | C03 | C04 | C05 | 0.3° | 0.5° |
| C16 | C03 | C04 | H04 | 179.7° | 180.0° |
| C03 | C16 | O17 | C18 | 117.0° | 80.9° |
| C03 | C04 | C05 | H04 | 180.0° | 179.5° |
| C03 | C04 | C05 | C14 | 0.2° | 0.7° |
| C03 | C04 | C05 | C06 | 174.8° | 180.0° |
| C04 | C03 | C16 | O17 | 177.5° | 179.9° |
| C04 | C05 | C14 | C06 | 174.8° | 179.2° |
| C04 | C05 | C06 | C07 | 60.2° | 90.0° |
| C04 | C05 | C06 | H06 | 59.8° | 150.0° |
| C04 | C05 | C06 | H06A | 179.8° | 30.1° |
| C04 | C05 | C14 | H14 | 179.5° | 179.5° |
| H04 | C04 | C05 | C14 | 179.8° | 179.7° |
| H04 | C04 | C05 | C06 | 5.2° | 0.5° |
| C14 | C05 | C06 | C07 | 114.7° | 89.2° |
| C14 | C05 | C06 | H06 | 125.3° | 30.8° |
| C14 | C05 | C06 | H06A | 5.3° | 150.7° |
| C05 | C06 | C07 | H06 | 120.0° | 120.0° |
| C05 | C06 | C07 | H06A | 120.0° | 120.0° |
| C05 | C06 | H06 | H06A | 115.9° | 119.9° |
| C05 | C06 | C07 | C12 | 174.3° | 180.0° |
| C05 | C06 | C07 | S08 | 31.0° | 66.5° |
| C05 | C06 | C07 | H07 | 62.6° | 56.7° |
| C06 | C05 | C14 | H14 | 4.7° | 0.3° |
| C07 | C06 | H06 | H06A | 116.0° | 120.1° |
| C06 | C07 | C12 | S08 | 158.5° | 118.4° |
| C06 | C07 | C12 | H07 | 89.0° | 123.2° |
| C06 | C07 | S08 | H07 | 81.5° | 123.1° |
| C06 | C07 | S08 | C09 | 150.0° | 118.4° |
| C06 | C07 | C12 | N11 | 143.5° | 118.4° |
| C06 | C07 | C12 | O13 | 14.5° | 61.6° |
| H06 | C06 | C07 | C12 | 65.7° | 60.1° |
| H06 | C06 | C07 | S08 | 89.0° | 53.5° |
| H06 | C06 | C07 | H07 | 177.4° | 176.6° |
| H06A | C06 | C07 | C12 | 54.3° | 60.0° |
| H06A | C06 | C07 | S08 | 150.9° | 173.5° |
| H06A | C06 | C07 | H07 | 57.4° | 63.3° |
| C12 | C07 | S08 | H07 | 121.7° | 118.6° |
| C12 | C07 | S08 | C09 | 6.8° | 0.0° |
| C07 | C12 | N11 | C09 | 18.4° | 0.1° |
| C07 | C12 | N11 | O13 | 157.6° | 179.9° |
| C07 | C12 | N11 | HN11 | 161.6° | 180.0° |
| C07 | S08 | C09 | N11 | 4.4° | 0.0° |
| C07 | S08 | C09 | O10 | 173.3° | 180.0° |
| S08 | C07 | C12 | N11 | 14.9° | 0.1° |
| S08 | C07 | C12 | O13 | 173.0° | 180.0° |
| H07 | C07 | S08 | C09 | 128.6° | 118.5° |
| H07 | C07 | C12 | N11 | 127.5° | 118.4° |
| H07 | C07 | C12 | O13 | 74.5° | 61.5° |
| S08 | C09 | N11 | O10 | 169.7° | 180.0° |
| S08 | C09 | N11 | C12 | 13.6° | 0.1° |
| S08 | C09 | N11 | HN11 | 166.4° | 180.0° |
| C09 | N11 | C12 | HN11 | 180.0° | 179.9° |
| C09 | N11 | C12 | O13 | 176.0° | 180.0° |
| O10 | C09 | N11 | C12 | 176.7° | 180.0° |
| O10 | C09 | N11 | HN11 | 3.3° | 0.0° |
| HN11 | N11 | C12 | O13 | 4.0° | 0.1° |
| C16 | O17 | C18 | C25 | 149.0° | 174.4° |
| C16 | O17 | C18 | C19 | 35.1° | 5.6° |
| O17 | C18 | C25 | C19 | 175.9° | 180.0° |
| O17 | C18 | C19 | H19 | 4.4° | 0.1° |
| C25 | C18 | C19 | H19 | 179.9° | 180.0° |
