Z3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C17 | sing | 1.74Å | 1.81Å | |
| C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.34Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.45Å | |
| N12 | C10 | sing | 1.35Å | 1.47Å | |
| C10 | O11 | doub | 1.21Å | 1.16Å | |
| C10 | C09 | sing | 1.51Å | 1.58Å | |
| C21 | C09 | sing | 1.53Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C08 | N07 | sing | 1.47Å | 1.51Å | |
| C23 | N07 | sing | 1.47Å | 1.50Å | |
| N07 | C06 | sing | 1.35Å | 1.51Å | |
| C25 | N05 | sing | 1.47Å | 1.33Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C06 | N05 | sing | 1.35Å | 1.50Å | |
| C06 | O24 | doub | 1.22Å | 1.18Å | |
| N05 | C04 | sing | 1.47Å | 1.36Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C26 | N02 | sing | 1.47Å | 1.43Å | |
| N02 | C03 | sing | 1.47Å | 1.46Å | |
| N02 | C01 | sing | 1.47Å | 1.17Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| N12 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C17 | C19 | 121.0° | 119.9° |
| CL1 | C17 | C15 | 118.8° | 119.9° |
| C17 | C19 | C20 | 119.6° | 120.0° |
| C19 | C17 | C15 | 120.2° | 120.1° |
| C17 | C19 | H12 | 120.2° | 120.0° |
| C19 | C20 | C13 | 120.0° | 120.0° |
| C20 | C19 | H12 | 120.2° | 120.0° |
| C19 | C20 | H13 | 120.0° | 120.0° |
| C17 | C15 | F16 | 119.4° | 120.0° |
| C17 | C15 | C14 | 120.4° | 120.0° |
| C20 | C13 | C14 | 120.2° | 119.9° |
| C20 | C13 | N12 | 118.8° | 120.0° |
| C13 | C20 | H13 | 120.0° | 120.0° |
| F16 | C15 | C14 | 120.2° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C15 | C14 | H11 | 120.2° | 120.0° |
| C14 | C13 | N12 | 121.0° | 120.0° |
| C13 | C14 | H11 | 120.2° | 120.0° |
| C13 | N12 | C10 | 128.0° | 120.0° |
| C13 | N12 | H25 | 116.0° | 120.0° |
| N12 | C10 | O11 | 124.1° | 120.0° |
| N12 | C10 | C09 | 114.0° | 120.0° |
| C10 | N12 | H25 | 116.0° | 120.0° |
| O11 | C10 | C09 | 121.9° | 120.0° |
| C10 | C09 | C21 | 106.5° | 109.5° |
| C10 | C09 | C08 | 117.5° | 109.5° |
| C10 | C09 | H10 | 106.6° | 109.5° |
| C09 | C21 | C22 | 111.5° | 109.6° |
| C21 | C09 | C08 | 111.3° | 109.3° |
| C21 | C09 | H10 | 107.8° | 109.5° |
| C09 | C21 | H14 | 109.0° | 109.4° |
| C09 | C21 | H15 | 109.0° | 109.5° |
| C21 | C22 | C23 | 111.4° | 109.3° |
| C22 | C21 | H14 | 109.0° | 109.5° |
| C22 | C21 | H15 | 109.0° | 109.5° |
| C21 | C22 | H16 | 109.0° | 109.5° |
| C21 | C22 | H17 | 109.0° | 109.5° |
| C09 | C08 | N07 | 100.4° | 108.8° |
| C09 | C08 | H8 | 111.7° | 109.6° |
| C09 | C08 | H9 | 111.7° | 109.7° |
| C08 | C09 | H10 | 106.8° | 109.5° |
| C22 | C23 | N07 | 113.2° | 108.8° |
| C23 | C22 | H16 | 109.0° | 109.5° |
| C23 | C22 | H17 | 109.0° | 109.5° |
| C22 | C23 | H18 | 108.6° | 109.6° |
| C22 | C23 | H19 | 108.6° | 109.6° |
| C08 | N07 | C23 | 108.7° | 118.7° |
| C08 | N07 | C06 | 130.7° | 120.6° |
| N07 | C08 | H8 | 111.7° | 109.6° |
| N07 | C08 | H9 | 111.7° | 109.6° |
| C23 | N07 | C06 | 120.4° | 120.7° |
| N07 | C23 | H18 | 108.5° | 109.6° |
| N07 | C23 | H19 | 108.5° | 109.6° |
| N07 | C06 | N05 | 128.7° | 119.9° |
| N07 | C06 | O24 | 115.9° | 120.0° |
| N05 | C25 | C26 | 103.4° | 108.5° |
| C25 | N05 | C06 | 122.7° | 120.8° |
| C25 | N05 | C04 | 120.3° | 118.3° |
| N05 | C25 | H20 | 111.0° | 109.6° |
| N05 | C25 | H21 | 111.0° | 109.7° |
| C25 | C26 | N02 | 112.3° | 109.4° |
| C26 | C25 | H20 | 111.0° | 109.6° |
| C26 | C25 | H21 | 111.0° | 109.6° |
| C25 | C26 | H22 | 108.7° | 109.5° |
| C25 | C26 | H23 | 108.8° | 109.5° |
| N05 | C06 | O24 | 115.4° | 120.0° |
| C06 | N05 | C04 | 116.9° | 120.9° |
| N05 | C04 | C03 | 108.2° | 108.5° |
| N05 | C04 | H6 | 109.8° | 109.6° |
| N05 | C04 | H7 | 109.8° | 109.8° |
| C04 | C03 | N02 | 114.3° | 109.4° |
| C04 | C03 | H4 | 108.3° | 109.5° |
| C04 | C03 | H5 | 108.3° | 109.5° |
| C03 | C04 | H6 | 109.8° | 109.7° |
| C03 | C04 | H7 | 109.8° | 109.6° |
| C26 | N02 | C03 | 112.4° | 111.3° |
| C26 | N02 | C01 | 110.5° | 111.0° |
| N02 | C26 | H22 | 108.8° | 109.5° |
| N02 | C26 | H23 | 108.8° | 109.5° |
| C03 | N02 | C01 | 110.0° | 111.0° |
| N02 | C03 | H4 | 108.3° | 109.5° |
| N02 | C03 | H5 | 108.2° | 109.5° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.6° |
| H8 | C08 | H9 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.5° | 109.4° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.8° |
| H20 | C25 | H21 | 109.5° | 109.8° |
| H22 | C26 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C17 | C19 | C15 | 179.9° | 180.0° |
| CL1 | C17 | C19 | C20 | 179.9° | 179.7° |
| CL1 | C17 | C15 | F16 | 0.1° | 0.0° |
| CL1 | C17 | C15 | C14 | 179.8° | 180.0° |
| CL1 | C17 | C19 | H12 | 0.1° | 0.1° |
| C17 | C19 | C20 | H12 | 180.0° | 179.8° |
| C17 | C19 | C20 | C13 | 0.2° | 0.5° |
| C19 | C17 | C15 | F16 | 179.9° | 180.0° |
| C19 | C17 | C15 | C14 | 0.0° | 0.0° |
| C17 | C19 | C20 | H13 | 179.8° | 180.0° |
| C20 | C19 | C17 | C15 | 0.0° | 0.3° |
| C19 | C20 | C13 | H13 | 180.0° | 179.4° |
| C19 | C20 | C13 | C14 | 0.5° | 0.5° |
| C19 | C20 | C13 | N12 | 179.6° | 179.7° |
| C17 | C15 | F16 | C14 | 179.9° | 180.0° |
| C17 | C15 | C14 | C13 | 0.3° | 0.0° |
| C17 | C15 | C14 | H11 | 179.7° | 180.0° |
| C15 | C17 | C19 | H12 | 180.0° | 179.9° |
| C20 | C13 | C14 | C15 | 0.5° | 0.2° |
| C20 | C13 | C14 | N12 | 179.2° | 179.8° |
| C20 | C13 | N12 | C10 | 170.1° | 144.5° |
| C20 | C13 | C14 | H11 | 179.5° | 179.7° |
| C13 | C20 | C19 | H12 | 179.8° | 179.7° |
| C20 | C13 | N12 | H25 | 9.9° | 35.6° |
| F16 | C15 | C14 | C13 | 179.8° | 180.0° |
| F16 | C15 | C14 | H11 | 0.2° | 0.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C15 | C14 | C13 | N12 | 179.7° | 180.0° |
| C14 | C13 | N12 | C10 | 10.7° | 35.7° |
| C14 | C13 | C20 | H13 | 179.6° | 179.9° |
| C14 | C13 | N12 | H25 | 169.3° | 144.2° |
| C13 | N12 | C10 | H25 | 180.0° | 180.0° |
| C13 | N12 | C10 | O11 | 1.1° | 4.5° |
| C13 | N12 | C10 | C09 | 179.2° | 175.2° |
| N12 | C13 | C14 | H11 | 0.3° | 0.1° |
| N12 | C13 | C20 | H13 | 0.4° | 0.3° |
| N12 | C10 | O11 | C09 | 177.9° | 179.7° |
| N12 | C10 | C09 | C21 | 76.6° | 179.5° |
| N12 | C10 | C09 | C08 | 157.9° | 59.7° |
| N12 | C10 | C09 | H10 | 38.2° | 60.4° |
| O11 | C10 | C09 | C21 | 101.5° | 0.2° |
| O11 | C10 | C09 | C08 | 24.0° | 120.0° |
| O11 | C10 | C09 | H10 | 143.7° | 119.9° |
| O11 | C10 | N12 | H25 | 178.9° | 175.4° |
| C10 | C09 | C21 | C08 | 129.2° | 119.9° |
| C10 | C09 | C21 | H10 | 114.0° | 120.1° |
| C10 | C09 | C21 | C22 | 169.6° | 178.7° |
| C10 | C09 | C08 | H10 | 119.6° | 120.1° |
| C10 | C09 | C08 | N07 | 166.7° | 174.6° |
| C10 | C09 | C08 | H8 | 74.8° | 54.7° |
| C10 | C09 | C08 | H9 | 48.2° | 65.6° |
| C10 | C09 | C21 | H14 | 49.4° | 58.7° |
| C10 | C09 | C21 | H15 | 70.0° | 61.3° |
| C09 | C10 | N12 | H25 | 0.8° | 4.8° |
| C09 | C21 | C22 | H14 | 120.3° | 120.0° |
| C09 | C21 | C22 | H15 | 120.3° | 120.0° |
| C21 | C09 | C08 | H10 | 117.4° | 120.0° |
| C09 | C21 | C22 | C23 | 46.0° | 61.4° |
| C21 | C09 | C08 | N07 | 70.2° | 54.7° |
| C21 | C09 | C08 | H8 | 48.3° | 65.2° |
| C21 | C09 | C08 | H9 | 171.3° | 174.5° |
| C09 | C21 | H14 | H15 | 119.1° | 119.9° |
| C09 | C21 | C22 | H16 | 74.3° | 58.5° |
| C09 | C21 | C22 | H17 | 166.2° | 178.7° |
| C22 | C21 | C09 | C08 | 61.2° | 61.4° |
| C21 | C22 | C23 | H16 | 120.3° | 119.9° |
| C21 | C22 | C23 | H17 | 120.3° | 120.0° |
| C21 | C22 | C23 | N07 | 46.4° | 54.6° |
| C22 | C21 | C09 | H10 | 55.6° | 58.6° |
| C22 | C21 | H14 | H15 | 119.1° | 120.0° |
| C21 | C22 | H16 | H17 | 119.1° | 120.1° |
| C21 | C22 | C23 | H18 | 166.9° | 174.4° |
| C21 | C22 | C23 | H19 | 74.1° | 65.1° |
| C09 | C08 | N07 | H8 | 118.5° | 119.8° |
| C09 | C08 | N07 | H9 | 118.5° | 119.9° |
| C09 | C08 | N07 | C23 | 67.8° | 53.7° |
| C09 | C08 | N07 | C06 | 107.9° | 126.3° |
| C09 | C08 | H8 | H9 | 124.2° | 120.4° |
| C08 | C09 | C21 | H14 | 178.5° | 178.6° |
| C08 | C09 | C21 | H15 | 59.1° | 58.7° |
| C22 | C23 | N07 | C08 | 60.3° | 53.6° |
| C22 | C23 | N07 | H18 | 120.6° | 119.8° |
| C22 | C23 | N07 | H19 | 120.5° | 119.7° |
| C22 | C23 | N07 | C06 | 115.9° | 126.4° |
| C23 | C22 | C21 | H14 | 166.3° | 178.6° |
| C23 | C22 | C21 | H15 | 74.3° | 58.7° |
| C23 | C22 | H16 | H17 | 119.1° | 120.1° |
| C22 | C23 | H18 | H19 | 118.3° | 120.4° |
| C08 | N07 | C23 | C06 | 176.2° | 180.0° |
| C08 | N07 | C06 | N05 | 3.2° | 163.6° |
| C08 | N07 | C06 | O24 | 177.0° | 16.4° |
| N07 | C08 | H8 | H9 | 124.2° | 120.3° |
| N07 | C08 | C09 | H10 | 47.2° | 65.3° |
| C08 | N07 | C23 | H18 | 179.1° | 173.4° |
| C08 | N07 | C23 | H19 | 60.2° | 66.1° |
| C23 | N07 | C06 | N05 | 178.4° | 16.4° |
| C23 | N07 | C06 | O24 | 1.8° | 163.6° |
| C23 | N07 | C08 | H8 | 50.8° | 66.2° |
| C23 | N07 | C08 | H9 | 173.7° | 173.5° |
| N07 | C23 | C22 | H16 | 73.9° | 65.3° |
| N07 | C23 | C22 | H17 | 166.7° | 174.6° |
| N07 | C23 | H18 | H19 | 118.3° | 120.4° |
| N07 | C06 | N05 | C25 | 1.7° | 164.2° |
| N07 | C06 | N05 | O24 | 179.8° | 180.0° |
| N07 | C06 | N05 | C04 | 177.8° | 15.8° |
| C06 | N07 | C08 | H8 | 133.6° | 113.8° |
| C06 | N07 | C08 | H9 | 10.7° | 6.4° |
| C06 | N07 | C23 | H18 | 4.7° | 6.6° |
| C06 | N07 | C23 | H19 | 123.6° | 113.9° |
| N05 | C25 | C26 | H20 | 119.0° | 119.6° |
| N05 | C25 | C26 | H21 | 119.0° | 119.8° |
| C25 | N05 | C06 | C04 | 176.2° | 180.0° |
| C25 | N05 | C06 | O24 | 178.2° | 15.8° |
| C25 | N05 | C04 | C03 | 59.2° | 51.2° |
| N05 | C25 | C26 | N02 | 58.1° | 53.8° |
| C25 | N05 | C04 | H6 | 60.6° | 170.9° |
| C25 | N05 | C04 | H7 | 179.0° | 68.6° |
| N05 | C25 | H20 | H21 | 122.8° | 120.5° |
| N05 | C25 | C26 | H22 | 62.3° | 66.2° |
| N05 | C25 | C26 | H23 | 178.5° | 173.7° |
| C26 | C25 | N05 | C06 | 109.8° | 128.9° |
| C26 | C25 | N05 | C04 | 66.3° | 51.2° |
| C25 | C26 | N02 | H22 | 120.4° | 119.9° |
| C25 | C26 | N02 | H23 | 120.4° | 120.0° |
| C25 | C26 | N02 | C03 | 50.2° | 63.1° |
| C25 | C26 | N02 | C01 | 173.6° | 172.8° |
| C26 | C25 | H20 | H21 | 122.8° | 120.5° |
| C25 | C26 | H22 | H23 | 118.7° | 120.0° |
| C06 | N05 | C04 | C03 | 117.1° | 128.8° |
| C06 | N05 | C04 | H6 | 123.1° | 9.1° |
| C06 | N05 | C04 | H7 | 2.7° | 111.4° |
| C06 | N05 | C25 | H20 | 9.3° | 111.5° |
| C06 | N05 | C25 | H21 | 131.2° | 9.1° |
| O24 | C06 | N05 | C04 | 2.0° | 164.2° |
| N05 | C04 | C03 | H6 | 119.8° | 119.7° |
| N05 | C04 | C03 | H7 | 119.8° | 119.9° |
| N05 | C04 | C03 | N02 | 41.4° | 53.8° |
| N05 | C04 | C03 | H4 | 162.1° | 173.7° |
| N05 | C04 | C03 | H5 | 79.3° | 66.2° |
| N05 | C04 | H6 | H7 | 120.6° | 120.6° |
| C04 | N05 | C25 | H20 | 174.7° | 68.5° |
| C04 | N05 | C25 | H21 | 52.7° | 170.9° |
| C04 | C03 | N02 | C26 | 41.7° | 63.1° |
| C04 | C03 | N02 | H4 | 120.7° | 119.9° |
| C04 | C03 | N02 | H5 | 120.7° | 120.0° |
| C04 | C03 | N02 | C01 | 165.3° | 172.8° |
| C04 | C03 | H4 | H5 | 117.8° | 120.1° |
| C03 | C04 | H6 | H7 | 120.6° | 120.4° |
| C26 | N02 | C03 | C01 | 123.7° | 124.2° |
| C26 | N02 | C01 | H1 | 180.0° | 60.0° |
| C26 | N02 | C01 | H2 | 60.0° | 180.0° |
| C26 | N02 | C01 | H3 | 60.0° | 60.0° |
| C26 | N02 | C03 | H4 | 162.4° | 177.0° |
| C26 | N02 | C03 | H5 | 79.0° | 56.9° |
| N02 | C26 | C25 | H20 | 177.2° | 65.9° |
| N02 | C26 | C25 | H21 | 60.9° | 173.5° |
| N02 | C26 | H22 | H23 | 118.7° | 120.1° |
| C03 | N02 | C01 | H1 | 55.2° | 175.7° |
| C03 | N02 | C01 | H2 | 64.8° | 55.7° |
| C03 | N02 | C01 | H3 | 175.2° | 64.3° |
| N02 | C03 | H4 | H5 | 117.8° | 120.1° |
| N02 | C03 | C04 | H6 | 78.4° | 173.5° |
| N02 | C03 | C04 | H7 | 161.2° | 66.1° |
| C03 | N02 | C26 | H22 | 70.1° | 56.9° |
| C03 | N02 | C26 | H23 | 170.7° | 177.0° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 73.9° | 52.8° |
| C01 | N02 | C03 | H5 | 44.6° | 67.3° |
| C01 | N02 | C26 | H22 | 53.2° | 67.3° |
| C01 | N02 | C26 | H23 | 65.9° | 52.8° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C03 | C04 | H6 | 42.3° | 66.5° |
| H4 | C03 | C04 | H7 | 78.1° | 53.9° |
| H5 | C03 | C04 | H6 | 160.9° | 53.6° |
| H5 | C03 | C04 | H7 | 40.5° | 173.9° |
| H8 | C08 | C09 | H10 | 165.7° | 174.8° |
| H9 | C08 | C09 | H10 | 71.4° | 54.5° |
| H10 | C09 | C21 | H14 | 64.7° | 61.4° |
| H10 | C09 | C21 | H15 | 175.9° | 178.6° |
| H12 | C19 | C20 | H13 | 0.2° | 0.2° |
| H14 | C21 | C22 | H16 | 46.0° | 61.5° |
| H14 | C21 | C22 | H17 | 73.5° | 58.6° |
| H15 | C21 | C22 | H16 | 165.4° | 178.6° |
| H15 | C21 | C22 | H17 | 45.9° | 61.3° |
| H16 | C22 | C23 | H18 | 46.7° | 54.4° |
| H16 | C22 | C23 | H19 | 165.6° | 174.9° |
| H17 | C22 | C23 | H18 | 72.8° | 65.6° |
| H17 | C22 | C23 | H19 | 46.1° | 54.9° |
| H20 | C25 | C26 | H22 | 56.8° | 174.2° |
| H20 | C25 | C26 | H23 | 62.4° | 54.1° |
| H21 | C25 | C26 | H22 | 178.7° | 53.6° |
| H21 | C25 | C26 | H23 | 59.5° | 66.5° |
