FFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | H01C | sing | 1.08Å | 1.08Å | |
| C02 | C03 | sing | 1.38Å | 1.42Å | Aromatic |
| C02 | H02C | sing | 1.08Å | 1.08Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | S11 | sing | 1.76Å | 1.82Å | |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H04C | sing | 1.08Å | 1.08Å | |
| C05 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | H05C | sing | 1.08Å | 1.08Å | |
| C06 | C07 | sing | 1.48Å | 1.53Å | |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| C07 | N09 | sing | 1.35Å | 1.44Å | |
| N09 | C10 | sing | 1.46Å | 1.49Å | |
| N09 | H09N | sing | 0.97Å | 1.00Å | |
| C10 | C15 | sing | 1.51Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| S11 | NP2 | sing | 1.66Å | 1.66Å | |
| S11 | O13 | doub | 1.42Å | 1.45Å | |
| S11 | O14 | doub | 1.42Å | 1.46Å | |
| NP2 | HNP1 | sing | 0.97Å | 1.00Å | |
| NP2 | HNP2 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C16 | F21 | sing | 1.35Å | 1.34Å | |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | F22 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | F23 | sing | 1.35Å | 1.34Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | F24 | sing | 1.35Å | 1.34Å | |
| C20 | F25 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 121.8° | 119.9° |
| C02 | C01 | H01C | 119.1° | 120.1° |
| C01 | C02 | C03 | 120.4° | 120.2° |
| C01 | C02 | H02C | 119.8° | 119.9° |
| C06 | C01 | H01C | 119.1° | 120.1° |
| C01 | C06 | C05 | 117.1° | 119.7° |
| C01 | C06 | C07 | 123.9° | 120.2° |
| C03 | C02 | H02C | 119.8° | 119.9° |
| C02 | C03 | C04 | 116.3° | 120.3° |
| C02 | C03 | S11 | 119.5° | 119.9° |
| C04 | C03 | S11 | 124.2° | 119.9° |
| C03 | C04 | C05 | 121.9° | 120.1° |
| C03 | C04 | H04C | 119.1° | 119.9° |
| C03 | S11 | NP2 | 108.8° | 107.2° |
| C03 | S11 | O13 | 101.4° | 106.4° |
| C03 | S11 | O14 | 105.2° | 106.4° |
| C05 | C04 | H04C | 119.1° | 120.0° |
| C04 | C05 | C06 | 122.5° | 119.9° |
| C04 | C05 | H05C | 118.7° | 120.1° |
| C06 | C05 | H05C | 118.8° | 120.0° |
| C05 | C06 | C07 | 119.0° | 120.2° |
| C06 | C07 | O08 | 112.7° | 120.0° |
| C06 | C07 | N09 | 130.3° | 120.0° |
| O08 | C07 | N09 | 117.1° | 120.0° |
| C07 | N09 | C10 | 113.6° | 120.0° |
| C07 | N09 | H09N | 123.2° | 120.0° |
| C10 | N09 | H09N | 123.2° | 120.0° |
| N09 | C10 | C15 | 124.6° | 109.5° |
| N09 | C10 | H101 | 105.6° | 109.5° |
| N09 | C10 | H102 | 105.6° | 109.5° |
| C15 | C10 | H101 | 105.5° | 109.5° |
| C15 | C10 | H102 | 105.6° | 109.5° |
| C10 | C15 | C16 | 120.3° | 120.0° |
| C10 | C15 | C20 | 119.3° | 120.0° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| NP2 | S11 | O13 | 116.8° | 106.4° |
| NP2 | S11 | O14 | 112.9° | 106.4° |
| S11 | NP2 | HNP1 | 109.5° | 120.0° |
| S11 | NP2 | HNP2 | 109.5° | 120.0° |
| O13 | S11 | O14 | 110.6° | 123.2° |
| HNP1 | NP2 | HNP2 | 109.5° | 120.0° |
| C16 | C15 | C20 | 120.3° | 120.0° |
| C15 | C16 | C17 | 118.5° | 120.0° |
| C15 | C16 | F21 | 121.2° | 120.0° |
| C15 | C20 | C19 | 119.9° | 120.0° |
| C15 | C20 | F25 | 121.8° | 120.0° |
| C17 | C16 | F21 | 120.3° | 120.0° |
| C16 | C17 | C18 | 120.2° | 119.9° |
| C16 | C17 | F22 | 119.9° | 120.0° |
| C18 | C17 | F22 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C17 | C18 | F23 | 120.0° | 120.0° |
| C19 | C18 | F23 | 119.3° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | F24 | 120.6° | 120.0° |
| C20 | C19 | F24 | 119.0° | 120.0° |
| C19 | C20 | F25 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H01C | 180.0° | 179.7° |
| C01 | C02 | C03 | H02C | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | S11 | 179.5° | 180.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C02 | C01 | C06 | C07 | 179.8° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C06 | C01 | C02 | H02C | 179.7° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | C07 | 179.8° | 180.0° |
| C01 | C06 | C05 | H05C | 179.8° | 180.0° |
| C01 | C06 | C07 | O08 | 179.8° | 0.0° |
| C01 | C06 | C07 | N09 | 0.1° | 180.0° |
| H01C | C01 | C02 | C03 | 179.7° | 179.7° |
| H01C | C01 | C02 | H02C | 0.3° | 0.3° |
| H01C | C01 | C06 | C05 | 180.0° | 179.7° |
| H01C | C01 | C06 | C07 | 0.2° | 0.3° |
| C02 | C03 | C04 | S11 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | H04C | 179.9° | 180.0° |
| C02 | C03 | S11 | NP2 | 53.4° | 90.0° |
| C02 | C03 | S11 | O13 | 177.0° | 156.5° |
| C02 | C03 | S11 | O14 | 67.8° | 23.5° |
| H02C | C02 | C03 | C04 | 179.7° | 180.0° |
| H02C | C02 | C03 | S11 | 0.5° | 0.0° |
| C03 | C04 | C05 | H04C | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | H05C | 179.8° | 179.9° |
| C04 | C03 | S11 | NP2 | 126.4° | 90.0° |
| C04 | C03 | S11 | O13 | 2.8° | 23.5° |
| C04 | C03 | S11 | O14 | 112.4° | 156.5° |
| S11 | C03 | C04 | C05 | 179.8° | 180.0° |
| S11 | C03 | C04 | H04C | 0.3° | 0.0° |
| C03 | S11 | NP2 | O13 | 113.9° | 113.5° |
| C03 | S11 | NP2 | O14 | 116.3° | 113.5° |
| C03 | S11 | O13 | O14 | 111.2° | 123.0° |
| C03 | S11 | NP2 | HNP1 | 180.0° | 150.0° |
| C03 | S11 | NP2 | HNP2 | 60.0° | 30.0° |
| C04 | C05 | C06 | H05C | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| H04C | C04 | C05 | C06 | 179.8° | 180.0° |
| H04C | C04 | C05 | H05C | 0.2° | 0.0° |
| C05 | C06 | C07 | O08 | 0.0° | 180.0° |
| C05 | C06 | C07 | N09 | 179.7° | 0.0° |
| H05C | C05 | C06 | C07 | 0.4° | 0.0° |
| C06 | C07 | O08 | N09 | 179.8° | 180.0° |
| C06 | C07 | N09 | C10 | 179.9° | 180.0° |
| C06 | C07 | N09 | H09N | 0.1° | 0.0° |
| O08 | C07 | N09 | C10 | 0.2° | 0.0° |
| O08 | C07 | N09 | H09N | 179.8° | 180.0° |
| C07 | N09 | C10 | H09N | 180.0° | 180.0° |
| C07 | N09 | C10 | C15 | 98.3° | 180.0° |
| C07 | N09 | C10 | H101 | 139.7° | 60.0° |
| C07 | N09 | C10 | H102 | 23.8° | 59.9° |
| N09 | C10 | C15 | H101 | 122.0° | 120.0° |
| N09 | C10 | C15 | H102 | 122.1° | 120.1° |
| N09 | C10 | H101 | H102 | 113.2° | 120.0° |
| N09 | C10 | C15 | C16 | 178.4° | 89.9° |
| N09 | C10 | C15 | C20 | 1.3° | 90.3° |
| H09N | N09 | C10 | C15 | 81.7° | 0.0° |
| H09N | N09 | C10 | H101 | 40.3° | 120.0° |
| H09N | N09 | C10 | H102 | 156.2° | 120.0° |
| C15 | C10 | H101 | H102 | 113.2° | 120.0° |
| C10 | C15 | C16 | C20 | 179.7° | 179.8° |
| C10 | C15 | C16 | C17 | 179.5° | 180.0° |
| C10 | C15 | C16 | F21 | 0.2° | 0.1° |
| C10 | C15 | C20 | C19 | 179.7° | 179.6° |
| C10 | C15 | C20 | F25 | 0.4° | 0.0° |
| H101 | C10 | C15 | C16 | 59.6° | 30.1° |
| H101 | C10 | C15 | C20 | 120.8° | 149.7° |
| H102 | C10 | C15 | C16 | 56.3° | 150.0° |
| H102 | C10 | C15 | C20 | 123.3° | 29.8° |
| NP2 | S11 | O13 | O14 | 130.9° | 123.0° |
| S11 | NP2 | HNP1 | HNP2 | 120.0° | 179.9° |
| O13 | S11 | NP2 | HNP1 | 66.1° | 36.5° |
| O13 | S11 | NP2 | HNP2 | 53.9° | 143.5° |
| O14 | S11 | NP2 | HNP1 | 63.7° | 96.4° |
| O14 | S11 | NP2 | HNP2 | 176.3° | 83.5° |
| C15 | C16 | C17 | F21 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C15 | C16 | C17 | F22 | 179.9° | 180.0° |
| C16 | C15 | C20 | C19 | 0.0° | 0.5° |
| C16 | C15 | C20 | F25 | 179.9° | 179.8° |
| C20 | C15 | C16 | C17 | 0.1° | 0.2° |
| C20 | C15 | C16 | F21 | 179.9° | 179.7° |
| C15 | C20 | C19 | C18 | 0.1° | 0.6° |
| C15 | C20 | C19 | F25 | 179.9° | 179.7° |
| C15 | C20 | C19 | F24 | 179.9° | 179.8° |
| C16 | C17 | C18 | F22 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | F23 | 180.0° | 180.0° |
| F21 | C16 | C17 | C18 | 179.9° | 180.0° |
| F21 | C16 | C17 | F22 | 0.1° | 0.1° |
| C17 | C18 | C19 | F23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C17 | C18 | C19 | F24 | 179.9° | 180.0° |
| F22 | C17 | C18 | C19 | 180.0° | 179.9° |
| F22 | C17 | C18 | F23 | 0.0° | 0.0° |
| C18 | C19 | C20 | F24 | 180.0° | 179.6° |
| C18 | C19 | C20 | F25 | 179.9° | 179.7° |
| F23 | C18 | C19 | C20 | 179.9° | 179.7° |
| F23 | C18 | C19 | F24 | 0.1° | 0.1° |
| F24 | C19 | C20 | F25 | 0.0° | 0.1° |
