FT7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F32 | C28 | sing | 1.35Å | 1.37Å | |
C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | F31 | sing | 1.35Å | 1.36Å | |
C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C30 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | sing | 1.51Å | 1.54Å | |
C24 | N19 | sing | 1.47Å | 1.46Å | |
C23 | C20 | sing | 1.51Å | 1.53Å | |
N19 | C20 | sing | 1.37Å | 1.33Å | Aromatic |
N19 | C16 | sing | 1.37Å | 1.36Å | Aromatic |
C20 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
C16 | C17 | sing | 1.41Å | 1.37Å | Aromatic |
C15 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
C21 | C17 | sing | 1.47Å | 1.42Å | Aromatic |
C21 | C22 | sing | 1.51Å | 1.53Å | |
C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
C14 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
C18 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.48Å | 1.53Å | |
C11 | O13 | doub | 1.21Å | 1.18Å | |
C11 | N08 | sing | 1.35Å | 1.46Å | |
N08 | C07 | sing | 1.46Å | 1.45Å | |
C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C05 | sing | 1.51Å | 1.53Å | |
C07 | C09 | sing | 1.53Å | 1.53Å | |
C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.53Å | 1.53Å | |
C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
C22 | H5 | sing | 1.09Å | 1.10Å | |
C22 | H6 | sing | 1.09Å | 1.10Å | |
C22 | H7 | sing | 1.09Å | 1.10Å | |
C24 | H8 | sing | 1.09Å | 1.10Å | |
C24 | H9 | sing | 1.09Å | 1.10Å | |
C01 | H10 | sing | 1.08Å | 1.08Å | |
C02 | H11 | sing | 1.08Å | 1.08Å | |
C03 | H12 | sing | 1.08Å | 1.08Å | |
C04 | H13 | sing | 1.08Å | 1.08Å | |
C06 | H14 | sing | 1.08Å | 1.08Å | |
C07 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
C09 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.08Å | 1.08Å | |
C18 | H19 | sing | 1.08Å | 1.08Å | |
C23 | H20 | sing | 1.09Å | 1.10Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C27 | H23 | sing | 1.08Å | 1.08Å | |
C29 | H24 | sing | 1.08Å | 1.08Å | |
C30 | H25 | sing | 1.08Å | 1.08Å | |
N08 | H26 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F32 | C28 | C27 | 120.2° | 120.0° |
F32 | C28 | C29 | 120.0° | 120.0° |
C27 | C28 | C29 | 119.8° | 120.0° |
C28 | C27 | C26 | 120.1° | 120.0° |
C28 | C27 | H23 | 119.9° | 120.0° |
C28 | C29 | C30 | 120.1° | 120.0° |
C28 | C29 | H24 | 120.0° | 120.1° |
C27 | C26 | F31 | 119.7° | 120.0° |
C27 | C26 | C25 | 120.3° | 120.0° |
C26 | C27 | H23 | 120.0° | 120.1° |
C29 | C30 | C25 | 120.4° | 120.0° |
C30 | C29 | H24 | 120.0° | 119.9° |
C29 | C30 | H25 | 119.8° | 120.0° |
F31 | C26 | C25 | 120.0° | 120.0° |
C26 | C25 | C30 | 119.4° | 120.0° |
C26 | C25 | C24 | 120.0° | 120.0° |
C30 | C25 | C24 | 120.6° | 120.0° |
C25 | C30 | H25 | 119.8° | 120.0° |
C25 | C24 | N19 | 112.7° | 109.4° |
C25 | C24 | H8 | 108.6° | 109.5° |
C25 | C24 | H9 | 108.7° | 109.5° |
C24 | N19 | C20 | 125.7° | 125.0° |
C24 | N19 | C16 | 124.8° | 124.9° |
N19 | C24 | H8 | 108.7° | 109.4° |
N19 | C24 | H9 | 108.7° | 109.5° |
C23 | C20 | N19 | 126.3° | 125.0° |
C23 | C20 | C21 | 124.8° | 125.0° |
C20 | C23 | H20 | 109.5° | 109.5° |
C20 | C23 | H21 | 109.5° | 109.5° |
C20 | C23 | H22 | 109.5° | 109.4° |
C20 | N19 | C16 | 109.5° | 110.0° |
N19 | C20 | C21 | 108.9° | 110.0° |
N19 | C16 | C15 | 131.1° | 133.3° |
N19 | C16 | C17 | 109.2° | 107.1° |
C20 | C21 | C17 | 106.4° | 106.9° |
C20 | C21 | C22 | 127.0° | 126.5° |
C15 | C16 | C17 | 119.8° | 119.7° |
C16 | C15 | C14 | 119.9° | 120.2° |
C16 | C15 | H4 | 120.0° | 119.9° |
C16 | C17 | C21 | 106.0° | 106.0° |
C16 | C17 | C18 | 120.4° | 120.0° |
C15 | C14 | C12 | 120.1° | 120.7° |
C14 | C15 | H4 | 120.0° | 119.9° |
C15 | C14 | H18 | 120.0° | 119.7° |
C17 | C21 | C22 | 126.5° | 126.6° |
C21 | C17 | C18 | 133.6° | 134.0° |
C21 | C22 | H5 | 109.5° | 109.4° |
C21 | C22 | H6 | 109.5° | 109.5° |
C21 | C22 | H7 | 109.5° | 109.6° |
C17 | C18 | C12 | 119.7° | 119.4° |
C17 | C18 | H19 | 120.2° | 120.3° |
C14 | C12 | C18 | 120.1° | 120.1° |
C14 | C12 | C11 | 119.4° | 120.0° |
C12 | C14 | H18 | 119.9° | 119.7° |
C18 | C12 | C11 | 120.5° | 119.9° |
C12 | C18 | H19 | 120.1° | 120.3° |
C12 | C11 | O13 | 121.0° | 120.0° |
C12 | C11 | N08 | 118.7° | 120.0° |
O13 | C11 | N08 | 120.3° | 120.0° |
C11 | N08 | C07 | 120.4° | 120.0° |
C11 | N08 | H26 | 119.8° | 120.0° |
N08 | C07 | C05 | 106.1° | 109.5° |
N08 | C07 | C09 | 110.6° | 109.5° |
N08 | C07 | H15 | 111.0° | 109.5° |
C07 | N08 | H26 | 119.8° | 120.0° |
C01 | C06 | C05 | 120.3° | 119.9° |
C06 | C01 | C02 | 119.6° | 120.1° |
C06 | C01 | H10 | 120.2° | 120.0° |
C01 | C06 | H14 | 119.9° | 120.1° |
C06 | C05 | C07 | 119.5° | 120.0° |
C06 | C05 | C04 | 120.1° | 120.0° |
C05 | C06 | H14 | 119.9° | 120.0° |
C01 | C02 | C03 | 120.2° | 120.0° |
C02 | C01 | H10 | 120.2° | 120.0° |
C01 | C02 | H11 | 119.9° | 120.0° |
C05 | C07 | C09 | 109.4° | 109.5° |
C07 | C05 | C04 | 120.4° | 120.0° |
C05 | C07 | H15 | 109.8° | 109.5° |
C07 | C09 | C10 | 113.0° | 109.5° |
C09 | C07 | H15 | 109.9° | 109.5° |
C07 | C09 | H16 | 108.6° | 109.5° |
C07 | C09 | H17 | 108.6° | 109.5° |
C05 | C04 | C03 | 119.8° | 120.0° |
C05 | C04 | H13 | 120.1° | 120.0° |
C02 | C03 | C04 | 120.1° | 120.0° |
C03 | C02 | H11 | 119.9° | 120.0° |
C02 | C03 | H12 | 119.9° | 120.0° |
C09 | C10 | H1 | 109.5° | 109.5° |
C09 | C10 | H2 | 109.5° | 109.5° |
C09 | C10 | H3 | 109.5° | 109.4° |
C10 | C09 | H16 | 108.6° | 109.5° |
C10 | C09 | H17 | 108.6° | 109.4° |
C04 | C03 | H12 | 120.0° | 120.0° |
C03 | C04 | H13 | 120.1° | 120.0° |
H1 | C10 | H2 | 109.5° | 109.5° |
H1 | C10 | H3 | 109.4° | 109.5° |
H2 | C10 | H3 | 109.5° | 109.4° |
H5 | C22 | H6 | 109.5° | 109.4° |
H5 | C22 | H7 | 109.5° | 109.5° |
H6 | C22 | H7 | 109.4° | 109.5° |
H8 | C24 | H9 | 109.5° | 109.5° |
H16 | C09 | H17 | 109.5° | 109.5° |
H20 | C23 | H21 | 109.5° | 109.5° |
H20 | C23 | H22 | 109.5° | 109.5° |
H21 | C23 | H22 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F32 | C28 | C27 | C29 | 179.9° | 180.0° |
F32 | C28 | C27 | C26 | 180.0° | 180.0° |
F32 | C28 | C29 | C30 | 180.0° | 179.7° |
F32 | C28 | C27 | H23 | 0.0° | 0.0° |
F32 | C28 | C29 | H24 | 0.0° | 0.0° |
C28 | C27 | C26 | H23 | 180.0° | 180.0° |
C27 | C28 | C29 | C30 | 0.0° | 0.3° |
C28 | C27 | C26 | F31 | 179.9° | 180.0° |
C28 | C27 | C26 | C25 | 0.3° | 0.3° |
C27 | C28 | C29 | H24 | 180.0° | 180.0° |
C29 | C28 | C27 | C26 | 0.0° | NaN° |
C28 | C29 | C30 | H24 | 180.0° | 179.7° |
C28 | C29 | C30 | C25 | 0.3° | 0.3° |
C29 | C28 | C27 | H23 | 179.9° | 180.0° |
C28 | C29 | C30 | H25 | 179.8° | 180.0° |
C27 | C26 | F31 | C25 | 179.7° | 179.7° |
C27 | C26 | C25 | C30 | 0.5° | 0.3° |
C27 | C26 | C25 | C24 | 179.7° | 179.8° |
C29 | C30 | C25 | C26 | 0.5° | 0.0° |
C29 | C30 | C25 | H25 | 180.0° | 179.7° |
C29 | C30 | C25 | C24 | 179.6° | 179.9° |
F31 | C26 | C25 | C30 | 179.8° | 180.0° |
F31 | C26 | C25 | C24 | 0.7° | 0.1° |
F31 | C26 | C27 | H23 | 0.1° | 0.0° |
C26 | C25 | C30 | C24 | 179.1° | 179.9° |
C26 | C25 | C24 | N19 | 115.5° | 85.1° |
C26 | C25 | C24 | H8 | 124.0° | 155.0° |
C26 | C25 | C24 | H9 | 5.0° | 34.9° |
C25 | C26 | C27 | H23 | 179.8° | 179.7° |
C26 | C25 | C30 | H25 | 179.5° | 179.7° |
C30 | C25 | C24 | N19 | 65.4° | 95.0° |
C30 | C25 | C24 | H8 | 55.1° | 24.9° |
C30 | C25 | C24 | H9 | 174.1° | 145.0° |
C25 | C30 | C29 | H24 | 179.7° | 180.0° |
C25 | C24 | N19 | H8 | 120.5° | 120.0° |
C25 | C24 | N19 | H9 | 120.5° | 120.0° |
C25 | C24 | N19 | C20 | 89.2° | 90.0° |
C25 | C24 | N19 | C16 | 91.7° | 90.0° |
C25 | C24 | H8 | H9 | 118.5° | 120.1° |
C24 | C25 | C30 | H25 | 0.4° | 0.2° |
C24 | N19 | C20 | C23 | 0.5° | 0.1° |
C24 | N19 | C20 | C16 | 179.2° | 180.0° |
C24 | N19 | C20 | C21 | 179.6° | 179.8° |
C24 | N19 | C16 | C15 | 0.7° | 0.0° |
C24 | N19 | C16 | C17 | 179.6° | 180.0° |
N19 | C24 | H8 | H9 | 118.6° | 120.0° |
C23 | C20 | N19 | C21 | 179.9° | 179.7° |
C23 | C20 | N19 | C16 | 179.7° | 179.9° |
C23 | C20 | C21 | C17 | 179.9° | 179.9° |
C23 | C20 | C21 | C22 | 0.1° | 0.0° |
C20 | C23 | H20 | H21 | 120.0° | 120.0° |
C20 | C23 | H20 | H22 | 120.0° | 120.0° |
C20 | C23 | H21 | H22 | 120.0° | 119.9° |
C20 | N19 | C16 | C15 | 179.9° | 180.0° |
C20 | N19 | C16 | C17 | 0.4° | 0.0° |
N19 | C20 | C21 | C17 | 0.2° | 0.2° |
N19 | C20 | C21 | C22 | 179.8° | 179.8° |
C20 | N19 | C24 | H8 | 31.3° | 30.0° |
C20 | N19 | C24 | H9 | 150.3° | 150.0° |
N19 | C20 | C23 | H20 | 90.1° | 89.7° |
N19 | C20 | C23 | H21 | 149.9° | 30.3° |
N19 | C20 | C23 | H22 | 29.9° | 150.2° |
C16 | N19 | C20 | C21 | 0.4° | 0.1° |
N19 | C16 | C15 | C17 | 179.7° | 180.0° |
N19 | C16 | C15 | C14 | 179.7° | 180.0° |
N19 | C16 | C17 | C21 | 0.2° | 0.1° |
N19 | C16 | C17 | C18 | 179.7° | 180.0° |
N19 | C16 | C15 | H4 | 0.3° | 0.3° |
C16 | N19 | C24 | H8 | 147.8° | 150.1° |
C16 | N19 | C24 | H9 | 28.7° | 30.0° |
C20 | C21 | C17 | C16 | 0.0° | 0.2° |
C20 | C21 | C17 | C22 | 180.0° | 179.9° |
C20 | C21 | C17 | C18 | 180.0° | 179.9° |
C20 | C21 | C22 | H5 | 90.0° | 90.1° |
C20 | C21 | C22 | H6 | 150.0° | 150.0° |
C20 | C21 | C22 | H7 | 30.0° | 30.0° |
C21 | C20 | C23 | H20 | 90.1° | 90.0° |
C21 | C20 | C23 | H21 | 29.9° | 150.0° |
C21 | C20 | C23 | H22 | 149.9° | 30.1° |
C16 | C15 | C14 | H4 | 180.0° | 179.7° |
C15 | C16 | C17 | C21 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 0.0° | 0.1° |
C16 | C15 | C14 | C12 | 0.4° | 0.2° |
C16 | C15 | C14 | H18 | 179.6° | 179.7° |
C17 | C16 | C15 | C14 | 0.0° | 0.0° |
C16 | C17 | C21 | C18 | 180.0° | 179.9° |
C16 | C17 | C21 | C22 | 180.0° | 179.8° |
C16 | C17 | C18 | C12 | 0.4° | 0.2° |
C17 | C16 | C15 | H4 | 180.0° | 179.7° |
C16 | C17 | C18 | H19 | 179.7° | 179.8° |
C15 | C14 | C12 | H18 | 180.0° | 179.9° |
C15 | C14 | C12 | C18 | 0.8° | 0.5° |
C15 | C14 | C12 | C11 | 179.5° | 180.0° |
C21 | C17 | C18 | C12 | 179.7° | 179.9° |
C17 | C21 | C22 | H5 | 90.0° | 90.0° |
C17 | C21 | C22 | H6 | 30.0° | 29.9° |
C17 | C21 | C22 | H7 | 150.0° | 150.0° |
C21 | C17 | C18 | H19 | 0.3° | 0.1° |
C22 | C21 | C17 | C18 | 0.0° | 0.1° |
C21 | C22 | H5 | H6 | 120.0° | 120.0° |
C21 | C22 | H5 | H7 | 120.0° | 120.1° |
C21 | C22 | H6 | H7 | 120.0° | 120.1° |
C17 | C18 | C12 | C14 | 0.7° | 0.4° |
C17 | C18 | C12 | H19 | 180.0° | 180.0° |
C17 | C18 | C12 | C11 | 179.4° | 180.0° |
C14 | C12 | C18 | C11 | 178.7° | 179.6° |
C14 | C12 | C11 | O13 | 52.1° | 180.0° |
C14 | C12 | C11 | N08 | 127.0° | 0.0° |
C12 | C14 | C15 | H4 | 179.6° | 180.0° |
C14 | C12 | C18 | H19 | 179.3° | 179.6° |
C18 | C12 | C11 | O13 | 129.2° | 0.4° |
C18 | C12 | C11 | N08 | 51.7° | 179.5° |
C18 | C12 | C14 | H18 | 179.3° | 179.5° |
C12 | C11 | O13 | N08 | 179.1° | 179.9° |
C12 | C11 | N08 | C07 | 178.8° | 180.0° |
C11 | C12 | C14 | H18 | 0.5° | 0.1° |
C11 | C12 | C18 | H19 | 0.6° | 0.0° |
C12 | C11 | N08 | H26 | 1.2° | 0.1° |
O13 | C11 | N08 | C07 | 0.3° | 0.1° |
O13 | C11 | N08 | H26 | 179.8° | 180.0° |
C11 | N08 | C07 | H26 | 180.0° | 179.9° |
C11 | N08 | C07 | C05 | 99.8° | 155.0° |
C11 | N08 | C07 | C09 | 141.7° | 85.0° |
C11 | N08 | C07 | H15 | 19.4° | 35.0° |
N08 | C07 | C05 | C06 | 20.4° | 40.3° |
N08 | C07 | C05 | C09 | 119.3° | 120.0° |
N08 | C07 | C05 | H15 | 120.0° | 120.0° |
N08 | C07 | C09 | H15 | 122.9° | 120.0° |
N08 | C07 | C05 | C04 | 159.1° | 140.0° |
N08 | C07 | C09 | C10 | 96.1° | 65.0° |
N08 | C07 | C09 | H16 | 143.4° | 55.0° |
N08 | C07 | C09 | H17 | 24.4° | 175.0° |
C01 | C06 | C05 | H14 | 180.0° | 179.4° |
C06 | C01 | C02 | H10 | 180.0° | 179.7° |
C01 | C06 | C05 | C07 | 179.9° | 179.7° |
C01 | C06 | C05 | C04 | 0.4° | 0.6° |
C06 | C01 | C02 | C03 | 0.0° | 0.3° |
C06 | C01 | C02 | H11 | 180.0° | 179.8° |
C05 | C06 | C01 | C02 | 0.2° | 0.6° |
C06 | C05 | C07 | C04 | 179.5° | 179.7° |
C06 | C05 | C07 | C09 | 139.7° | 79.7° |
C06 | C05 | C04 | C03 | 0.5° | 0.3° |
C05 | C06 | C01 | H10 | 179.8° | 179.7° |
C06 | C05 | C04 | H13 | 179.5° | 179.7° |
C06 | C05 | C07 | H15 | 99.6° | 160.3° |
C01 | C02 | C03 | H11 | 180.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.1° | 0.0° |
C01 | C02 | C03 | H12 | 179.9° | 180.0° |
C02 | C01 | C06 | H14 | 179.8° | 180.0° |
C05 | C07 | C09 | H15 | 120.6° | 120.0° |
C05 | C07 | C09 | C10 | 147.3° | 175.0° |
C07 | C05 | C04 | C03 | 180.0° | 180.0° |
C07 | C05 | C04 | H13 | 0.0° | 0.0° |
C07 | C05 | C06 | H14 | 0.1° | 0.3° |
C05 | C07 | C09 | H16 | 26.8° | 65.0° |
C05 | C07 | C09 | H17 | 92.1° | 55.0° |
C05 | C07 | N08 | H26 | 80.2° | 25.0° |
C09 | C07 | C05 | C04 | 39.7° | 100.0° |
C07 | C09 | C10 | H16 | 120.5° | 120.0° |
C07 | C09 | C10 | H17 | 120.6° | 120.0° |
C07 | C09 | C10 | H1 | 180.0° | 60.0° |
C07 | C09 | C10 | H2 | 60.0° | 180.0° |
C07 | C09 | C10 | H3 | 60.0° | 60.0° |
C07 | C09 | H16 | H17 | 118.4° | 120.0° |
C09 | C07 | N08 | H26 | 38.3° | 95.0° |
C05 | C04 | C03 | C02 | 0.4° | 0.0° |
C05 | C04 | C03 | H13 | 180.0° | 180.0° |
C05 | C04 | C03 | H12 | 179.6° | 180.0° |
C04 | C05 | C06 | H14 | 179.6° | 180.0° |
C04 | C05 | C07 | H15 | 80.9° | 20.0° |
C02 | C03 | C04 | H12 | 180.0° | 180.0° |
C03 | C02 | C01 | H10 | 180.0° | 180.0° |
C02 | C03 | C04 | H13 | 179.6° | 180.0° |
C09 | C10 | H1 | H2 | 120.0° | 120.0° |
C09 | C10 | H1 | H3 | 120.0° | 120.0° |
C09 | C10 | H2 | H3 | 120.0° | 120.0° |
C10 | C09 | C07 | H15 | 26.7° | 55.0° |
C10 | C09 | H16 | H17 | 118.4° | 120.0° |
C04 | C03 | C02 | H11 | 179.9° | 179.9° |
H1 | C10 | H2 | H3 | 120.0° | 120.0° |
H1 | C10 | C09 | H16 | 59.5° | 180.0° |
H1 | C10 | C09 | H17 | 59.4° | 60.0° |
H2 | C10 | C09 | H16 | 179.5° | 59.9° |
H2 | C10 | C09 | H17 | 60.6° | 60.0° |
H3 | C10 | C09 | H16 | 60.5° | 60.0° |
H3 | C10 | C09 | H17 | 179.4° | 180.0° |
H4 | C15 | C14 | H18 | 0.4° | 0.0° |
H5 | C22 | H6 | H7 | 120.0° | 120.0° |
H10 | C01 | C02 | H11 | 0.0° | 0.1° |
H10 | C01 | C06 | H14 | 0.2° | 0.3° |
H11 | C02 | C03 | H12 | 0.1° | 0.1° |
H12 | C03 | C04 | H13 | 0.3° | 0.0° |
H15 | C07 | C09 | H16 | 93.8° | 175.0° |
H15 | C07 | C09 | H17 | 147.3° | 65.0° |
H15 | C07 | N08 | H26 | 160.6° | 144.9° |
H20 | C23 | H21 | H22 | 120.0° | 120.1° |
H24 | C29 | C30 | H25 | 0.2° | 0.3° |