5UV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F18 | C12 | sing | 1.35Å | 1.33Å | |
C14 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C12 | C08 | sing | 1.39Å | 1.37Å | Aromatic |
C23 | C21 | sing | 1.53Å | 1.51Å | |
C23 | C24 | sing | 1.53Å | 1.51Å | |
C17 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C21 | C03 | sing | 1.51Å | 1.52Å | |
C24 | C22 | sing | 1.53Å | 1.51Å | |
C08 | CL16 | sing | 1.74Å | 1.73Å | |
C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
C10 | N07 | sing | 1.40Å | 1.42Å | |
C22 | C05 | sing | 1.51Å | 1.51Å | |
C03 | C05 | doub | 1.38Å | 1.47Å | Aromatic |
C03 | C01 | sing | 1.39Å | 1.34Å | Aromatic |
N07 | C01 | sing | 1.39Å | 1.41Å | |
C05 | N04 | sing | 1.32Å | 1.34Å | Aromatic |
C01 | C02 | doub | 1.41Å | 1.39Å | Aromatic |
N04 | C06 | doub | 1.33Å | 1.39Å | Aromatic |
C02 | C06 | sing | 1.42Å | 1.42Å | Aromatic |
C02 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
C06 | C13 | sing | 1.41Å | 1.38Å | Aromatic |
C11 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
C13 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
C15 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
C15 | CL20 | sing | 1.74Å | 1.74Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.08Å | 1.08Å | |
C21 | H3 | sing | 1.09Å | 1.10Å | |
C21 | H4 | sing | 1.09Å | 1.10Å | |
C22 | H5 | sing | 1.09Å | 1.10Å | |
C22 | H6 | sing | 1.09Å | 1.10Å | |
C24 | H7 | sing | 1.09Å | 1.10Å | |
C24 | H8 | sing | 1.09Å | 1.10Å | |
N07 | H9 | sing | 0.97Å | 1.00Å | |
C09 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
C19 | H13 | sing | 1.08Å | 1.08Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C23 | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F18 | C12 | C14 | 120.5° | 119.9° |
F18 | C12 | C08 | 119.0° | 119.9° |
C12 | C14 | C17 | 118.7° | 120.0° |
C14 | C12 | C08 | 120.5° | 120.1° |
C12 | C14 | H12 | 120.6° | 120.0° |
C14 | C17 | C10 | 121.2° | 120.0° |
C14 | C17 | H2 | 119.4° | 120.0° |
C17 | C14 | H12 | 120.6° | 120.0° |
C12 | C08 | CL16 | 117.9° | 120.0° |
C12 | C08 | C09 | 121.2° | 120.0° |
C21 | C23 | C24 | 109.6° | 108.3° |
C23 | C21 | C03 | 111.1° | 110.6° |
C23 | C21 | H3 | 109.1° | 109.3° |
C23 | C21 | H4 | 109.1° | 109.2° |
C21 | C23 | H14 | 109.4° | 109.7° |
C21 | C23 | H15 | 109.4° | 109.7° |
C23 | C24 | C22 | 109.2° | 108.4° |
C23 | C24 | H7 | 109.5° | 109.7° |
C23 | C24 | H8 | 109.5° | 109.7° |
C24 | C23 | H14 | 109.4° | 109.7° |
C24 | C23 | H15 | 109.5° | 109.7° |
C17 | C10 | C09 | 119.8° | 119.9° |
C17 | C10 | N07 | 119.3° | 120.1° |
C10 | C17 | H2 | 119.4° | 120.0° |
C21 | C03 | C05 | 120.6° | 122.8° |
C21 | C03 | C01 | 120.4° | 117.5° |
C03 | C21 | H3 | 109.1° | 109.3° |
C03 | C21 | H4 | 109.1° | 109.3° |
C24 | C22 | C05 | 108.4° | 110.7° |
C24 | C22 | H5 | 109.7° | 109.3° |
C24 | C22 | H6 | 109.7° | 109.2° |
C22 | C24 | H7 | 109.5° | 109.7° |
C22 | C24 | H8 | 109.5° | 109.7° |
CL16 | C08 | C09 | 120.8° | 120.0° |
C08 | C09 | C10 | 118.6° | 120.0° |
C08 | C09 | H10 | 120.7° | 120.0° |
C09 | C10 | N07 | 121.0° | 120.0° |
C10 | C09 | H10 | 120.7° | 120.0° |
C10 | N07 | C01 | 120.7° | 120.0° |
C10 | N07 | H9 | 119.7° | 120.0° |
C22 | C05 | C03 | 122.1° | 122.0° |
C22 | C05 | N04 | 116.5° | 117.0° |
C05 | C22 | H5 | 109.8° | 109.2° |
C05 | C22 | H6 | 109.7° | 109.2° |
C05 | C03 | C01 | 119.0° | 119.6° |
C03 | C05 | N04 | 121.4° | 121.0° |
C03 | C01 | N07 | 119.4° | 120.7° |
C03 | C01 | C02 | 120.3° | 118.5° |
N07 | C01 | C02 | 120.3° | 120.8° |
C01 | N07 | H9 | 119.7° | 120.0° |
C05 | N04 | C06 | 118.9° | 122.6° |
C01 | C02 | C06 | 119.7° | 118.6° |
C01 | C02 | C11 | 120.1° | 121.6° |
N04 | C06 | C02 | 120.7° | 119.7° |
N04 | C06 | C13 | 118.4° | 121.2° |
C06 | C02 | C11 | 120.2° | 119.8° |
C02 | C06 | C13 | 120.9° | 119.1° |
C02 | C11 | C15 | 118.5° | 119.6° |
C02 | C11 | H11 | 120.8° | 120.2° |
C06 | C13 | C19 | 119.2° | 119.8° |
C06 | C13 | H1 | 120.4° | 120.2° |
C11 | C15 | C19 | 121.2° | 120.8° |
C11 | C15 | CL20 | 120.3° | 119.6° |
C15 | C11 | H11 | 120.7° | 120.2° |
C13 | C19 | C15 | 120.0° | 121.1° |
C19 | C13 | H1 | 120.4° | 120.1° |
C13 | C19 | H13 | 120.0° | 119.4° |
C19 | C15 | CL20 | 118.5° | 119.6° |
C15 | C19 | H13 | 120.0° | 119.5° |
H3 | C21 | H4 | 109.5° | 109.2° |
H5 | C22 | H6 | 109.5° | 109.2° |
H7 | C24 | H8 | 109.5° | 109.6° |
H14 | C23 | H15 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F18 | C12 | C14 | C08 | 179.7° | 179.9° |
F18 | C12 | C14 | C17 | 179.9° | 179.8° |
F18 | C12 | C08 | CL16 | 0.8° | 0.0° |
F18 | C12 | C08 | C09 | 179.8° | 179.5° |
F18 | C12 | C14 | H12 | 0.2° | 0.1° |
C12 | C14 | C17 | H12 | 180.0° | 179.7° |
C12 | C14 | C17 | C10 | 0.3° | 0.1° |
C14 | C12 | C08 | CL16 | 179.6° | 180.0° |
C14 | C12 | C08 | C09 | 0.5° | 0.5° |
C12 | C14 | C17 | H2 | 179.7° | 179.9° |
C17 | C14 | C12 | C08 | 0.5° | 0.3° |
C14 | C17 | C10 | H2 | 180.0° | 180.0° |
C14 | C17 | C10 | C09 | 0.1° | 0.1° |
C14 | C17 | C10 | N07 | 179.8° | 179.7° |
C12 | C08 | CL16 | C09 | 179.0° | 179.5° |
C12 | C08 | C09 | C10 | 0.4° | 0.5° |
C12 | C08 | C09 | H10 | 179.6° | 179.5° |
C08 | C12 | C14 | H12 | 179.5° | 180.0° |
C21 | C23 | C24 | H14 | 120.0° | 119.7° |
C21 | C23 | C24 | H15 | 120.0° | 119.7° |
C23 | C21 | C03 | H3 | 120.3° | 120.3° |
C23 | C21 | C03 | H4 | 120.2° | 120.2° |
C21 | C23 | C24 | C22 | 73.3° | 70.2° |
C23 | C21 | C03 | C05 | 13.2° | 17.4° |
C23 | C21 | C03 | C01 | 166.6° | 162.7° |
C23 | C21 | H3 | H4 | 119.3° | 119.4° |
C21 | C23 | C24 | H7 | 46.7° | 170.0° |
C21 | C23 | C24 | H8 | 166.7° | 49.6° |
C21 | C23 | H14 | H15 | 119.9° | 120.6° |
C24 | C23 | C21 | C03 | 48.1° | 51.0° |
C23 | C24 | C22 | H7 | 120.0° | 119.7° |
C23 | C24 | C22 | H8 | 119.9° | 119.8° |
C23 | C24 | C22 | C05 | 56.1° | 51.5° |
C24 | C23 | C21 | H3 | 168.4° | 69.4° |
C24 | C23 | C21 | H4 | 72.1° | 171.2° |
C23 | C24 | C22 | H5 | 175.9° | 171.8° |
C23 | C24 | C22 | H6 | 63.7° | 68.7° |
C23 | C24 | H7 | H8 | 120.1° | 120.5° |
C24 | C23 | H14 | H15 | 120.0° | 120.6° |
C17 | C10 | C09 | C08 | 0.2° | 0.3° |
C17 | C10 | C09 | N07 | 179.6° | 179.7° |
C17 | C10 | N07 | C01 | 148.5° | 6.0° |
C17 | C10 | N07 | H9 | 31.5° | 174.0° |
C17 | C10 | C09 | H10 | 179.8° | 179.7° |
C10 | C17 | C14 | H12 | 179.7° | 179.8° |
C21 | C03 | C05 | C22 | 0.3° | 0.4° |
C21 | C03 | C05 | C01 | 179.7° | 179.9° |
C21 | C03 | C01 | N07 | 0.4° | 0.3° |
C21 | C03 | C05 | N04 | 180.0° | 179.7° |
C21 | C03 | C01 | C02 | 179.8° | 179.7° |
C03 | C21 | H3 | H4 | 119.3° | 119.5° |
C03 | C21 | C23 | H14 | 168.1° | 170.6° |
C03 | C21 | C23 | H15 | 71.9° | 68.7° |
C24 | C22 | C05 | H5 | 119.8° | 120.3° |
C24 | C22 | C05 | H6 | 119.8° | 120.3° |
C24 | C22 | C05 | C03 | 21.0° | 17.8° |
C24 | C22 | C05 | N04 | 158.8° | 162.2° |
C24 | C22 | H5 | H6 | 120.5° | 119.4° |
C22 | C24 | H7 | H8 | 120.1° | 120.5° |
C22 | C24 | C23 | H14 | 166.7° | 170.2° |
C22 | C24 | C23 | H15 | 46.7° | 49.5° |
CL16 | C08 | C09 | C10 | 179.4° | 180.0° |
CL16 | C08 | C09 | H10 | 0.6° | 0.0° |
C08 | C09 | C10 | H10 | 180.0° | 180.0° |
C08 | C09 | C10 | N07 | 179.8° | 179.9° |
C09 | C10 | N07 | C01 | 31.2° | 174.3° |
C09 | C10 | C17 | H2 | 179.8° | 179.9° |
C09 | C10 | N07 | H9 | 148.8° | 5.7° |
C10 | N07 | C01 | C03 | 87.1° | 92.8° |
C10 | N07 | C01 | H9 | 180.0° | 180.0° |
C10 | N07 | C01 | C02 | 93.1° | 87.2° |
N07 | C10 | C17 | H2 | 0.2° | 0.3° |
N07 | C10 | C09 | H10 | 0.2° | 0.0° |
C22 | C05 | C03 | N04 | 179.8° | 180.0° |
C22 | C05 | C03 | C01 | 180.0° | 179.7° |
C22 | C05 | N04 | C06 | 179.9° | 179.8° |
C05 | C22 | H5 | H6 | 120.5° | 119.4° |
C05 | C22 | C24 | H7 | 63.9° | 171.3° |
C05 | C22 | C24 | H8 | 176.0° | 68.3° |
C05 | C03 | C01 | N07 | 179.9° | 179.8° |
C05 | C03 | C01 | C02 | 0.1° | 0.2° |
C03 | C05 | N04 | C06 | 0.1° | 0.2° |
C05 | C03 | C21 | H3 | 133.4° | 102.9° |
C05 | C03 | C21 | H4 | 107.1° | 137.6° |
C03 | C05 | C22 | H5 | 140.8° | 138.1° |
C03 | C05 | C22 | H6 | 98.8° | 102.5° |
C03 | C01 | N07 | C02 | 179.8° | 180.0° |
C01 | C03 | C05 | N04 | 0.2° | 0.3° |
C03 | C01 | C02 | C06 | 0.1° | 0.0° |
C03 | C01 | C02 | C11 | 179.8° | 179.4° |
C01 | C03 | C21 | H3 | 46.3° | 77.0° |
C01 | C03 | C21 | H4 | 73.2° | 42.5° |
C03 | C01 | N07 | H9 | 92.9° | 87.2° |
N07 | C01 | C02 | C06 | 179.7° | 180.0° |
N07 | C01 | C02 | C11 | 0.0° | 0.6° |
C05 | N04 | C06 | C02 | 0.1° | 0.1° |
C05 | N04 | C06 | C13 | 179.8° | 179.9° |
N04 | C05 | C22 | H5 | 38.9° | 41.9° |
N04 | C05 | C22 | H6 | 81.4° | 77.5° |
C01 | C02 | C06 | N04 | 0.2° | 0.0° |
C01 | C02 | C06 | C11 | 179.7° | 179.4° |
C01 | C02 | C06 | C13 | 179.9° | 180.0° |
C01 | C02 | C11 | C15 | 179.8° | 179.7° |
C02 | C01 | N07 | H9 | 86.9° | 92.8° |
C01 | C02 | C11 | H11 | 0.2° | 0.0° |
N04 | C06 | C02 | C13 | 179.7° | 180.0° |
N04 | C06 | C02 | C11 | 179.9° | 179.4° |
N04 | C06 | C13 | C19 | 179.8° | 180.0° |
N04 | C06 | C13 | H1 | 0.2° | 0.3° |
C06 | C02 | C11 | C15 | 0.1° | 0.9° |
C02 | C06 | C13 | C19 | 0.4° | 0.0° |
C02 | C06 | C13 | H1 | 179.5° | 179.7° |
C06 | C02 | C11 | H11 | 179.9° | 179.4° |
C11 | C02 | C06 | C13 | 0.4° | 0.6° |
C02 | C11 | C15 | H11 | 180.0° | 179.7° |
C02 | C11 | C15 | C19 | 0.1° | 0.7° |
C02 | C11 | C15 | CL20 | 179.9° | 179.4° |
C06 | C13 | C19 | H1 | 180.0° | 179.7° |
C06 | C13 | C19 | C15 | 0.2° | 0.2° |
C06 | C13 | C19 | H13 | 179.8° | 179.7° |
C11 | C15 | C19 | C13 | 0.1° | 0.1° |
C11 | C15 | C19 | CL20 | 179.9° | 179.9° |
C11 | C15 | C19 | H13 | 179.9° | 180.0° |
C13 | C19 | C15 | H13 | 180.0° | 179.9° |
C13 | C19 | C15 | CL20 | 180.0° | 180.0° |
C15 | C19 | C13 | H1 | 179.8° | 180.0° |
C19 | C15 | C11 | H11 | 179.9° | 179.7° |
CL20 | C15 | C11 | H11 | 0.1° | 0.3° |
CL20 | C15 | C19 | H13 | 0.0° | 0.0° |
H1 | C13 | C19 | H13 | 0.2° | 0.0° |
H2 | C17 | C14 | H12 | 0.3° | 0.2° |
H3 | C21 | C23 | H14 | 71.6° | 50.3° |
H3 | C21 | C23 | H15 | 48.3° | 170.9° |
H4 | C21 | C23 | H14 | 47.9° | 69.1° |
H4 | C21 | C23 | H15 | 167.8° | 51.5° |
H5 | C22 | C24 | H7 | 56.0° | 68.4° |
H5 | C22 | C24 | H8 | 64.1° | 52.0° |
H6 | C22 | C24 | H7 | 176.3° | 51.0° |
H6 | C22 | C24 | H8 | 56.2° | 171.5° |
H7 | C24 | C23 | H14 | 73.4° | 50.4° |
H7 | C24 | C23 | H15 | 166.7° | 70.3° |
H8 | C24 | C23 | H14 | 46.7° | 70.0° |
H8 | C24 | C23 | H15 | 73.2° | 169.3° |