7JF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F27 | C24 | sing | 1.35Å | 1.34Å | |
C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
C24 | C25 | sing | 1.39Å | 1.36Å | Aromatic |
C22 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
C09 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
F13 | C10 | sing | 1.35Å | 1.36Å | |
C08 | C07 | sing | 1.40Å | 1.37Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
C14 | C02 | sing | 1.48Å | 1.48Å | |
C07 | C03 | sing | 1.48Å | 1.48Å | |
C07 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
C02 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
C02 | C01 | sing | 1.40Å | 1.37Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
F06 | C01 | sing | 1.35Å | 1.35Å | |
C03 | C16 | sing | 1.40Å | 1.44Å | Aromatic |
C01 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.47Å | 1.44Å | |
C16 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
C04 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
C04 | O05 | sing | 1.36Å | 1.33Å | |
O21 | C17 | doub | 1.22Å | 1.23Å | |
C17 | N18 | sing | 1.35Å | 1.36Å | |
C15 | N20 | sing | 1.36Å | 1.39Å | |
N18 | C19 | sing | 1.36Å | 1.35Å | |
N20 | C19 | doub | 1.30Å | 1.30Å | |
C22 | H1 | sing | 1.08Å | 1.08Å | |
C26 | H2 | sing | 1.08Å | 1.08Å | |
O05 | H3 | sing | 0.97Å | 0.95Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
N18 | H8 | sing | 0.97Å | 1.00Å | |
C19 | H9 | sing | 1.08Å | 1.08Å | |
C23 | H10 | sing | 1.08Å | 1.08Å | |
C25 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F27 | C24 | C23 | 120.4° | 119.9° |
F27 | C24 | C25 | 119.4° | 119.9° |
C24 | C23 | C22 | 121.1° | 120.1° |
C23 | C24 | C25 | 120.2° | 120.2° |
C24 | C23 | H10 | 119.4° | 119.9° |
C23 | C22 | C14 | 120.8° | 119.9° |
C23 | C22 | H1 | 119.6° | 120.1° |
C22 | C23 | H10 | 119.4° | 119.9° |
C24 | C25 | C26 | 118.7° | 120.1° |
C24 | C25 | H11 | 120.7° | 120.0° |
C22 | C14 | C26 | 117.7° | 119.8° |
C22 | C14 | C02 | 121.3° | 120.1° |
C14 | C22 | H1 | 119.6° | 120.0° |
C08 | C09 | C10 | 120.2° | 120.2° |
C09 | C08 | C07 | 120.2° | 119.9° |
C09 | C08 | H4 | 119.9° | 120.0° |
C08 | C09 | H5 | 119.9° | 119.9° |
C09 | C10 | F13 | 120.7° | 119.9° |
C09 | C10 | C11 | 121.4° | 120.2° |
C10 | C09 | H5 | 119.9° | 119.9° |
F13 | C10 | C11 | 117.9° | 119.9° |
C08 | C07 | C03 | 124.0° | 120.1° |
C08 | C07 | C12 | 117.5° | 119.7° |
C07 | C08 | H4 | 119.9° | 120.1° |
C10 | C11 | C12 | 116.9° | 120.1° |
C10 | C11 | H6 | 121.6° | 119.9° |
C25 | C26 | C14 | 121.5° | 119.9° |
C25 | C26 | H2 | 119.3° | 120.0° |
C26 | C25 | H11 | 120.7° | 119.9° |
C26 | C14 | C02 | 120.9° | 120.1° |
C14 | C26 | H2 | 119.2° | 120.1° |
C14 | C02 | C03 | 121.9° | 120.0° |
C14 | C02 | C01 | 119.6° | 119.9° |
C03 | C07 | C12 | 118.3° | 120.2° |
C07 | C03 | C02 | 117.4° | 120.3° |
C07 | C03 | C16 | 123.1° | 120.4° |
C07 | C12 | C11 | 123.7° | 119.9° |
C07 | C12 | H7 | 118.2° | 120.0° |
C03 | C02 | C01 | 118.4° | 120.2° |
C02 | C03 | C16 | 119.5° | 119.3° |
C02 | C01 | F06 | 120.3° | 119.6° |
C02 | C01 | C04 | 125.5° | 120.7° |
C12 | C11 | H6 | 121.5° | 119.9° |
C11 | C12 | H7 | 118.2° | 120.1° |
F06 | C01 | C04 | 114.2° | 119.6° |
C03 | C16 | C17 | 123.5° | 121.8° |
C03 | C16 | C15 | 118.6° | 120.2° |
C01 | C04 | C15 | 116.1° | 120.0° |
C01 | C04 | O05 | 124.8° | 120.0° |
C17 | C16 | C15 | 117.5° | 118.1° |
C16 | C17 | O21 | 126.7° | 121.3° |
C16 | C17 | N18 | 114.6° | 117.5° |
C16 | C15 | C04 | 121.9° | 119.6° |
C16 | C15 | N20 | 122.3° | 119.0° |
C15 | C04 | O05 | 119.0° | 120.0° |
C04 | C15 | N20 | 115.8° | 121.4° |
C04 | O05 | H3 | 109.5° | 114.0° |
O21 | C17 | N18 | 118.7° | 121.2° |
C17 | N18 | C19 | 125.5° | 120.5° |
C17 | N18 | H8 | 117.3° | 119.7° |
C15 | N20 | C19 | 117.9° | 121.6° |
N18 | C19 | N20 | 121.9° | 123.3° |
C19 | N18 | H8 | 117.2° | 119.8° |
N18 | C19 | H9 | 119.1° | 118.4° |
N20 | C19 | H9 | 119.0° | 118.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F27 | C24 | C23 | C25 | 179.4° | 179.7° |
F27 | C24 | C23 | C22 | 179.1° | 179.7° |
F27 | C24 | C25 | C26 | 180.0° | 180.0° |
F27 | C24 | C23 | H10 | 0.9° | 0.3° |
F27 | C24 | C25 | H11 | 0.0° | 0.3° |
C24 | C23 | C22 | H10 | 180.0° | 180.0° |
C24 | C23 | C22 | C14 | 1.3° | 0.0° |
C23 | C24 | C25 | C26 | 0.7° | 0.3° |
C24 | C23 | C22 | H1 | 178.7° | 179.7° |
C23 | C24 | C25 | H11 | 179.4° | 180.0° |
C22 | C23 | C24 | C25 | 0.2° | 0.0° |
C23 | C22 | C14 | H1 | 180.0° | 179.7° |
C23 | C22 | C14 | C26 | 1.5° | 0.3° |
C23 | C22 | C14 | C02 | 178.1° | 179.7° |
C24 | C25 | C26 | H11 | 180.0° | 179.8° |
C24 | C25 | C26 | C14 | 0.5° | 0.5° |
C24 | C25 | C26 | H2 | 179.5° | 180.0° |
C25 | C24 | C23 | H10 | 179.8° | 180.0° |
C22 | C14 | C26 | C25 | 0.6° | 0.5° |
C22 | C14 | C26 | C02 | 179.6° | 180.0° |
C22 | C14 | C02 | C03 | 56.9° | 115.0° |
C22 | C14 | C02 | C01 | 121.7° | 65.3° |
C22 | C14 | C26 | H2 | 179.4° | 180.0° |
C14 | C22 | C23 | H10 | 178.7° | 180.0° |
C08 | C09 | C10 | H5 | 180.0° | 180.0° |
C08 | C09 | C10 | F13 | 177.4° | 179.7° |
C09 | C08 | C07 | H4 | 180.0° | 180.0° |
C08 | C09 | C10 | C11 | 1.2° | 0.0° |
C09 | C08 | C07 | C03 | 175.0° | 180.0° |
C09 | C08 | C07 | C12 | 0.3° | 0.0° |
C09 | C10 | F13 | C11 | 178.6° | 179.7° |
C10 | C09 | C08 | C07 | 1.1° | 0.0° |
C09 | C10 | C11 | C12 | 0.2° | 0.0° |
C10 | C09 | C08 | H4 | 178.9° | 180.0° |
C09 | C10 | C11 | H6 | 179.8° | 180.0° |
F13 | C10 | C11 | C12 | 178.8° | 179.7° |
F13 | C10 | C09 | H5 | 2.6° | 0.3° |
F13 | C10 | C11 | H6 | 1.2° | 0.3° |
C08 | C07 | C03 | C12 | 175.3° | 180.0° |
C08 | C07 | C03 | C02 | 105.7° | 65.0° |
C08 | C07 | C12 | C11 | 1.8° | 0.0° |
C08 | C07 | C03 | C16 | 76.7° | 114.7° |
C07 | C08 | C09 | H5 | 178.9° | 180.0° |
C08 | C07 | C12 | H7 | 178.2° | 179.9° |
C10 | C11 | C12 | C07 | 1.7° | 0.0° |
C10 | C11 | C12 | H6 | 180.0° | 180.0° |
C11 | C10 | C09 | H5 | 178.8° | 180.0° |
C10 | C11 | C12 | H7 | 178.3° | 180.0° |
C25 | C26 | C14 | H2 | 180.0° | 179.5° |
C25 | C26 | C14 | C02 | 179.0° | 179.4° |
C26 | C14 | C02 | C03 | 123.5° | 65.0° |
C26 | C14 | C02 | C01 | 57.9° | 114.7° |
C26 | C14 | C22 | H1 | 178.5° | 180.0° |
C14 | C26 | C25 | H11 | 179.6° | 179.7° |
C14 | C02 | C03 | C07 | 3.4° | 0.2° |
C14 | C02 | C03 | C01 | 178.6° | 179.7° |
C14 | C02 | C01 | F06 | 1.1° | 0.0° |
C14 | C02 | C03 | C16 | 178.8° | 180.0° |
C14 | C02 | C01 | C04 | 178.8° | 180.0° |
C02 | C14 | C22 | H1 | 1.9° | 0.0° |
C02 | C14 | C26 | H2 | 1.0° | 0.0° |
C07 | C03 | C02 | C16 | 177.8° | 179.7° |
C07 | C03 | C02 | C01 | 178.0° | 180.0° |
C03 | C07 | C12 | C11 | 173.8° | 180.0° |
C07 | C03 | C16 | C17 | 3.1° | 0.3° |
C07 | C03 | C16 | C15 | 176.1° | 179.8° |
C03 | C07 | C08 | H4 | 5.0° | 0.0° |
C03 | C07 | C12 | H7 | 6.2° | 0.1° |
C12 | C07 | C03 | C02 | 69.6° | 115.0° |
C07 | C12 | C11 | H7 | 180.0° | 179.9° |
C12 | C07 | C03 | C16 | 108.0° | 65.2° |
C12 | C07 | C08 | H4 | 179.7° | 180.0° |
C07 | C12 | C11 | H6 | 178.3° | 180.0° |
C03 | C02 | C01 | F06 | 179.7° | 179.7° |
C03 | C02 | C01 | C04 | 0.2° | 0.3° |
C02 | C03 | C16 | C17 | 174.5° | 180.0° |
C02 | C03 | C16 | C15 | 1.5° | 0.0° |
C02 | C01 | F06 | C04 | 179.9° | 180.0° |
C01 | C02 | C03 | C16 | 0.2° | 0.3° |
C02 | C01 | C04 | C15 | 1.6° | 0.0° |
C02 | C01 | C04 | O05 | 177.2° | 180.0° |
F06 | C01 | C04 | C15 | 178.5° | 180.0° |
F06 | C01 | C04 | O05 | 2.9° | 0.0° |
C03 | C16 | C17 | C15 | 173.1° | 180.0° |
C03 | C16 | C15 | C04 | 3.5° | 0.2° |
C03 | C16 | C17 | O21 | 0.0° | 0.2° |
C03 | C16 | C17 | N18 | 178.6° | 179.9° |
C03 | C16 | C15 | N20 | 176.6° | 180.0° |
C01 | C04 | C15 | C16 | 3.4° | 0.3° |
C01 | C04 | C15 | O05 | 175.9° | 180.0° |
C01 | C04 | C15 | N20 | 176.7° | 180.0° |
C01 | C04 | O05 | H3 | 180.0° | 90.1° |
C17 | C16 | C15 | C04 | 176.9° | 179.7° |
C16 | C17 | O21 | N18 | 178.6° | 179.7° |
C17 | C16 | C15 | N20 | 3.2° | 0.0° |
C16 | C17 | N18 | C19 | 3.6° | 0.3° |
C16 | C17 | N18 | H8 | 176.4° | 180.0° |
C16 | C15 | C04 | N20 | 179.9° | 179.7° |
C16 | C15 | C04 | O05 | 179.3° | 179.8° |
C15 | C16 | C17 | O21 | 173.1° | 179.7° |
C15 | C16 | C17 | N18 | 5.5° | 0.0° |
C16 | C15 | N20 | C19 | 1.7° | 0.2° |
C04 | C15 | N20 | C19 | 178.2° | 179.9° |
C15 | C04 | O05 | H3 | 4.5° | 89.9° |
O05 | C04 | C15 | N20 | 0.8° | 0.0° |
O21 | C17 | N18 | C19 | 175.1° | 180.0° |
O21 | C17 | N18 | H8 | 4.9° | 0.3° |
C17 | N18 | C19 | H8 | 180.0° | 179.7° |
C17 | N18 | C19 | N20 | 1.4° | 0.5° |
C17 | N18 | C19 | H9 | 178.6° | 180.0° |
C15 | N20 | C19 | N18 | 4.1° | 0.5° |
C15 | N20 | C19 | H9 | 175.9° | 180.0° |
N18 | C19 | N20 | H9 | 180.0° | 179.5° |
N20 | C19 | N18 | H8 | 178.6° | 179.8° |
H1 | C22 | C23 | H10 | 1.3° | 0.3° |
H2 | C26 | C25 | H11 | 0.4° | 0.2° |
H4 | C08 | C09 | H5 | 1.1° | 0.0° |
H6 | C11 | C12 | H7 | 1.7° | 0.1° |
H8 | N18 | C19 | H9 | 1.4° | 0.3° |