FCV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.36Å | |
| C26 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.36Å | |
| C21 | S18 | sing | 1.76Å | 1.82Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| O19 | S18 | doub | 1.42Å | 1.46Å | |
| C03 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| S18 | O20 | doub | 1.42Å | 1.47Å | |
| S18 | N17 | sing | 1.66Å | 1.70Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| N16 | N17 | sing | 1.40Å | 1.40Å | |
| N16 | C14 | sing | 1.35Å | 1.45Å | |
| C04 | C14 | sing | 1.48Å | 1.52Å | |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | O15 | doub | 1.22Å | 1.19Å | |
| C06 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C08 | sing | 1.48Å | 1.38Å | |
| C09 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | N13 | sing | 1.33Å | 1.32Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N13 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| N17 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C24 | C25 | C26 | 120.2° | 119.9° |
| C25 | C24 | H10 | 120.0° | 120.0° |
| C24 | C25 | H11 | 119.9° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.1° |
| C24 | C23 | H9 | 120.0° | 120.0° |
| C23 | C24 | H10 | 119.9° | 120.0° |
| C25 | C26 | F27 | 119.8° | 120.0° |
| C25 | C26 | C21 | 119.9° | 120.0° |
| C26 | C25 | H11 | 119.9° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H4 | 120.1° | 120.0° |
| C22 | C23 | H9 | 120.0° | 120.0° |
| F27 | C26 | C21 | 120.3° | 120.0° |
| C26 | C21 | C22 | 119.9° | 120.0° |
| C26 | C21 | S18 | 120.3° | 120.0° |
| C22 | C21 | S18 | 119.8° | 120.0° |
| C21 | C22 | H4 | 120.0° | 120.0° |
| F01 | C02 | C03 | 119.8° | 119.9° |
| F01 | C02 | C07 | 120.4° | 119.9° |
| C21 | S18 | O19 | 111.7° | 106.4° |
| C21 | S18 | O20 | 111.6° | 106.4° |
| C21 | S18 | N17 | 109.5° | 107.2° |
| C03 | C02 | C07 | 119.8° | 120.2° |
| C02 | C03 | C04 | 119.9° | 120.1° |
| C02 | C03 | H5 | 120.0° | 120.0° |
| C02 | C07 | C06 | 119.8° | 120.2° |
| C02 | C07 | H7 | 120.1° | 119.9° |
| O19 | S18 | O20 | 101.6° | 123.2° |
| O19 | S18 | N17 | 111.5° | 106.4° |
| C03 | C04 | C14 | 119.2° | 120.1° |
| C03 | C04 | C05 | 120.5° | 119.8° |
| C04 | C03 | H5 | 120.0° | 120.0° |
| O20 | S18 | N17 | 110.8° | 106.4° |
| S18 | N17 | N16 | 117.7° | 120.0° |
| S18 | N17 | H13 | 107.4° | 120.0° |
| C07 | C06 | C05 | 120.2° | 119.9° |
| C07 | C06 | C08 | 121.6° | 120.0° |
| C06 | C07 | H7 | 120.1° | 119.9° |
| N17 | N16 | C14 | 122.2° | 120.0° |
| N17 | N16 | H12 | 118.9° | 120.0° |
| N16 | N17 | H13 | 107.4° | 120.0° |
| N16 | C14 | C04 | 115.8° | 120.0° |
| N16 | C14 | O15 | 122.3° | 120.0° |
| C14 | N16 | H12 | 118.9° | 120.0° |
| C14 | C04 | C05 | 120.3° | 120.1° |
| C04 | C14 | O15 | 121.9° | 120.0° |
| C04 | C05 | C06 | 119.8° | 119.8° |
| C04 | C05 | H6 | 120.1° | 120.1° |
| C05 | C06 | C08 | 118.2° | 120.1° |
| C06 | C05 | H6 | 120.1° | 120.1° |
| C06 | C08 | C09 | 118.4° | 119.7° |
| C06 | C08 | N13 | 120.5° | 119.7° |
| C08 | C09 | C10 | 120.2° | 119.1° |
| C09 | C08 | N13 | 121.1° | 120.5° |
| C08 | C09 | H8 | 119.9° | 120.5° |
| C09 | C10 | C11 | 117.1° | 118.5° |
| C09 | C10 | H1 | 121.4° | 120.7° |
| C10 | C09 | H8 | 119.9° | 120.4° |
| C08 | N13 | C12 | 120.6° | 121.7° |
| C10 | C11 | C12 | 119.8° | 119.4° |
| C11 | C10 | H1 | 121.4° | 120.7° |
| C10 | C11 | H2 | 120.1° | 120.3° |
| N13 | C12 | C11 | 121.1° | 120.9° |
| N13 | C12 | H3 | 119.5° | 119.6° |
| C12 | C11 | H2 | 120.1° | 120.3° |
| C11 | C12 | H3 | 119.4° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H10 | 180.0° | 179.7° |
| C24 | C25 | C26 | H11 | 180.0° | 179.8° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C24 | C25 | C26 | F27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C21 | 0.2° | 0.5° |
| C25 | C24 | C23 | H9 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C24 | C23 | C22 | H9 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.1° |
| C24 | C23 | C22 | H4 | 180.0° | 180.0° |
| C23 | C24 | C25 | H11 | 179.9° | 180.0° |
| C25 | C26 | F27 | C21 | 179.8° | 179.5° |
| C25 | C26 | C21 | C22 | 0.2° | 0.6° |
| C25 | C26 | C21 | S18 | 180.0° | 179.8° |
| C26 | C25 | C24 | H10 | 179.9° | 180.0° |
| C23 | C22 | C21 | C26 | 0.1° | 0.3° |
| C23 | C22 | C21 | H4 | 180.0° | 179.9° |
| C23 | C22 | C21 | S18 | 180.0° | 180.0° |
| C22 | C23 | C24 | H10 | 180.0° | 179.7° |
| F27 | C26 | C21 | C22 | 180.0° | 179.9° |
| F27 | C26 | C21 | S18 | 0.2° | 0.3° |
| F27 | C26 | C25 | H11 | 0.0° | 0.2° |
| C26 | C21 | C22 | S18 | 179.9° | 179.7° |
| C26 | C21 | S18 | O19 | 52.7° | 48.2° |
| C26 | C21 | S18 | O20 | 165.6° | 178.8° |
| C26 | C21 | S18 | N17 | 71.3° | 65.3° |
| C26 | C21 | C22 | H4 | 179.9° | 179.8° |
| C21 | C26 | C25 | H11 | 179.8° | 179.7° |
| C22 | C21 | S18 | O19 | 127.5° | 131.4° |
| C22 | C21 | S18 | O20 | 14.5° | 1.5° |
| C22 | C21 | S18 | N17 | 108.5° | 115.0° |
| C21 | C22 | C23 | H9 | 180.0° | 180.0° |
| F01 | C02 | C03 | C07 | 180.0° | 179.7° |
| F01 | C02 | C03 | C04 | 179.6° | 179.7° |
| F01 | C02 | C07 | C06 | 179.6° | 179.7° |
| F01 | C02 | C03 | H5 | 0.4° | 0.3° |
| F01 | C02 | C07 | H7 | 0.3° | 0.3° |
| C21 | S18 | O19 | O20 | 119.1° | 123.0° |
| C21 | S18 | O19 | N17 | 122.8° | 114.1° |
| C21 | S18 | O20 | N17 | 122.3° | 114.1° |
| C21 | S18 | N17 | N16 | 74.9° | 60.0° |
| S18 | C21 | C22 | H4 | 0.0° | 0.1° |
| C21 | S18 | N17 | H13 | 164.0° | 120.1° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C03 | C02 | C07 | C06 | 0.4° | 0.1° |
| C02 | C03 | C04 | C14 | 179.2° | 179.9° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | C07 | H7 | 179.6° | 180.0° |
| C07 | C02 | C03 | C04 | 0.5° | 0.0° |
| C02 | C07 | C06 | H7 | 180.0° | 179.9° |
| C02 | C07 | C06 | C05 | 0.4° | 0.0° |
| C02 | C07 | C06 | C08 | 179.1° | 179.9° |
| C07 | C02 | C03 | H5 | 179.5° | 179.9° |
| O19 | S18 | O20 | N17 | 118.6° | 123.0° |
| O19 | S18 | N17 | N16 | 49.2° | 53.5° |
| O19 | S18 | N17 | H13 | 72.0° | 126.4° |
| C03 | C04 | C14 | N16 | 46.1° | 0.1° |
| C03 | C04 | C14 | C05 | 178.6° | 179.9° |
| C03 | C04 | C14 | O15 | 135.1° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C03 | C04 | C05 | H6 | 179.3° | 180.0° |
| O20 | S18 | N17 | N16 | 161.6° | 173.5° |
| O20 | S18 | N17 | H13 | 40.4° | 6.5° |
| S18 | N17 | N16 | H13 | 121.2° | 180.0° |
| S18 | N17 | N16 | C14 | 94.8° | 125.0° |
| S18 | N17 | N16 | H12 | 85.2° | 55.0° |
| C07 | C06 | C05 | C04 | 0.6° | 0.0° |
| C07 | C06 | C05 | C08 | 178.7° | 180.0° |
| C07 | C06 | C08 | C09 | 48.8° | 0.9° |
| C07 | C06 | C08 | N13 | 133.2° | 180.0° |
| C07 | C06 | C05 | H6 | 179.4° | 180.0° |
| N17 | N16 | C14 | H12 | 180.0° | 180.0° |
| N17 | N16 | C14 | C04 | 180.0° | 180.0° |
| N17 | N16 | C14 | O15 | 1.3° | 0.0° |
| N16 | C14 | C04 | O15 | 178.7° | 180.0° |
| N16 | C14 | C04 | C05 | 132.4° | 180.0° |
| C14 | N16 | N17 | H13 | 26.3° | 55.0° |
| C14 | C04 | C05 | C06 | 179.2° | 180.0° |
| C14 | C04 | C03 | H5 | 0.9° | 0.1° |
| C14 | C04 | C05 | H6 | 0.8° | 0.1° |
| C04 | C14 | N16 | H12 | 0.1° | 0.1° |
| C05 | C04 | C14 | O15 | 46.3° | 0.1° |
| C04 | C05 | C06 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | C08 | 179.3° | 180.0° |
| C05 | C04 | C03 | H5 | 179.4° | 180.0° |
| O15 | C14 | N16 | H12 | 178.6° | 180.0° |
| C05 | C06 | C08 | C09 | 129.9° | 179.2° |
| C05 | C06 | C08 | N13 | 48.1° | 0.0° |
| C05 | C06 | C07 | H7 | 179.6° | 180.0° |
| C06 | C08 | C09 | N13 | 178.0° | 179.1° |
| C06 | C08 | C09 | C10 | 179.0° | 179.7° |
| C06 | C08 | N13 | C12 | 179.3° | 180.0° |
| C08 | C06 | C05 | H6 | 0.7° | 0.0° |
| C08 | C06 | C07 | H7 | 0.9° | 0.0° |
| C06 | C08 | C09 | H8 | 1.1° | 0.9° |
| C08 | C09 | C10 | H8 | 180.0° | 179.4° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C09 | C08 | N13 | C12 | 1.3° | 0.9° |
| C08 | C09 | C10 | H1 | 179.8° | 179.7° |
| C10 | C09 | C08 | N13 | 1.0° | 0.6° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C09 | C10 | C11 | H2 | 179.7° | 179.8° |
| C08 | N13 | C12 | C11 | 0.9° | 0.6° |
| C08 | N13 | C12 | H3 | 179.1° | 179.4° |
| N13 | C08 | C09 | H8 | 179.0° | 180.0° |
| C10 | C11 | C12 | N13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | H3 | 179.9° | 180.0° |
| C11 | C10 | C09 | H8 | 179.8° | 179.4° |
| N13 | C12 | C11 | H3 | 180.0° | 180.0° |
| N13 | C12 | C11 | H2 | 179.9° | 179.9° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| H1 | C10 | C11 | H2 | 0.3° | 0.1° |
| H1 | C10 | C09 | H8 | 0.2° | 0.3° |
| H2 | C11 | C12 | H3 | 0.1° | 0.1° |
| H4 | C22 | C23 | H9 | 0.1° | 0.1° |
| H9 | C23 | C24 | H10 | 0.0° | 0.3° |
| H10 | C24 | C25 | H11 | 0.1° | 0.2° |
| H12 | N16 | N17 | H13 | 153.6° | 125.0° |
