EU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C25 | sing | 1.40Å | 1.37Å | |
| F26 | C25 | sing | 1.40Å | 1.37Å | |
| C25 | F28 | sing | 1.40Å | 1.36Å | |
| C25 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C13 | sing | 1.48Å | 1.52Å | |
| C13 | N12 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.31Å | 1.35Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C10 | sing | 1.42Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.46Å | 1.43Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.43Å | 1.53Å | |
| C09 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | trip | 1.17Å | 1.19Å | |
| N05 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| N05 | N04 | sing | 1.40Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.43Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | N04 | sing | 1.47Å | 1.44Å | |
| C06 | C29 | sing | 1.47Å | 1.45Å | Aromatic |
| N04 | C30 | sing | 1.36Å | 1.35Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.38Å | Aromatic |
| C29 | C34 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | N31 | sing | 1.33Å | 1.36Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.44Å | |
| C34 | N33 | doub | 1.33Å | 1.33Å | Aromatic |
| N31 | C32 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N33 | C32 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| N35 | H18 | sing | 0.97Å | 1.00Å | |
| N35 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C25 | F26 | 109.4° | 109.5° |
| F27 | C25 | F28 | 109.5° | 109.5° |
| F27 | C25 | C21 | 109.5° | 109.5° |
| F26 | C25 | F28 | 109.5° | 109.4° |
| F26 | C25 | C21 | 109.4° | 109.4° |
| F28 | C25 | C21 | 109.6° | 109.4° |
| C25 | C21 | C22 | 120.3° | 120.0° |
| C25 | C21 | C20 | 119.8° | 119.9° |
| C21 | C22 | C23 | 120.0° | 120.3° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C21 | C22 | H3 | 120.0° | 119.8° |
| C22 | C23 | C24 | 120.0° | 120.1° |
| C23 | C22 | H3 | 120.0° | 119.9° |
| C22 | C23 | H16 | 120.0° | 119.9° |
| C21 | C20 | C19 | 120.1° | 119.9° |
| C21 | C20 | H2 | 120.0° | 120.0° |
| C23 | C24 | C19 | 119.8° | 119.8° |
| C23 | C24 | H4 | 120.1° | 120.1° |
| C24 | C23 | H16 | 120.0° | 119.9° |
| C20 | C19 | C24 | 120.1° | 119.8° |
| C20 | C19 | C13 | 119.5° | 120.1° |
| C19 | C20 | H2 | 119.9° | 120.1° |
| C24 | C19 | C13 | 120.4° | 120.1° |
| C19 | C24 | H4 | 120.1° | 120.1° |
| C19 | C13 | N12 | 120.2° | 119.3° |
| C19 | C13 | C14 | 119.5° | 119.3° |
| N12 | C13 | C14 | 120.3° | 121.4° |
| C13 | N12 | C11 | 120.7° | 122.6° |
| C13 | C14 | C15 | 120.2° | 118.5° |
| C13 | C14 | H13 | 119.9° | 120.8° |
| N12 | C11 | C10 | 120.2° | 120.1° |
| N12 | C11 | H12 | 119.9° | 119.9° |
| C14 | C15 | C10 | 119.0° | 118.2° |
| C14 | C15 | C16 | 120.8° | 122.2° |
| C15 | C14 | H13 | 119.9° | 120.8° |
| C11 | C10 | C15 | 119.7° | 119.1° |
| C11 | C10 | C09 | 120.4° | 122.1° |
| C10 | C11 | H12 | 119.9° | 119.9° |
| C10 | C15 | C16 | 120.2° | 119.6° |
| C15 | C10 | C09 | 119.9° | 118.8° |
| C15 | C16 | C17 | 119.9° | 120.5° |
| C15 | C16 | H14 | 120.0° | 119.7° |
| C10 | C09 | C08 | 120.9° | 120.8° |
| C10 | C09 | C18 | 119.8° | 118.5° |
| C01 | C02 | C03 | 111.4° | 109.5° |
| C01 | C02 | N04 | 109.1° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.4° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 108.7° | 109.4° |
| C16 | C17 | C18 | 120.0° | 121.9° |
| C16 | C17 | H1 | 120.0° | 119.0° |
| C17 | C16 | H14 | 120.1° | 119.7° |
| C08 | C09 | C18 | 119.3° | 120.7° |
| C09 | C08 | C07 | 178.4° | 180.0° |
| C09 | C18 | C17 | 120.2° | 120.7° |
| C09 | C18 | H15 | 119.9° | 119.7° |
| C08 | C07 | C06 | 177.7° | 179.9° |
| C06 | N05 | N04 | 108.6° | 109.8° |
| N05 | C06 | C07 | 124.4° | 126.4° |
| N05 | C06 | C29 | 108.1° | 107.3° |
| N05 | N04 | C02 | 124.1° | 125.2° |
| N05 | N04 | C30 | 111.0° | 109.5° |
| C07 | C06 | C29 | 127.6° | 126.4° |
| C03 | C02 | N04 | 109.0° | 109.5° |
| C03 | C02 | H8 | 108.7° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | N04 | C30 | 124.9° | 125.3° |
| N04 | C02 | H8 | 109.9° | 109.5° |
| C06 | C29 | C30 | 105.1° | 106.4° |
| C06 | C29 | C34 | 137.9° | 135.0° |
| N04 | C30 | C29 | 107.2° | 107.0° |
| N04 | C30 | N31 | 132.8° | 134.4° |
| C30 | C29 | C34 | 117.1° | 118.6° |
| C29 | C30 | N31 | 120.0° | 118.6° |
| C29 | C34 | N35 | 120.2° | 120.8° |
| C29 | C34 | N33 | 120.0° | 118.4° |
| C30 | N31 | C32 | 120.7° | 120.7° |
| N35 | C34 | N33 | 119.7° | 120.8° |
| C34 | N35 | H18 | 109.5° | 120.0° |
| C34 | N35 | H19 | 109.4° | 120.0° |
| C34 | N33 | C32 | 120.7° | 121.0° |
| N31 | C32 | N33 | 121.6° | 122.7° |
| N31 | C32 | H17 | 119.2° | 118.7° |
| C18 | C17 | H1 | 120.0° | 119.1° |
| C17 | C18 | H15 | 119.9° | 119.6° |
| N33 | C32 | H17 | 119.2° | 118.6° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.5° | 109.4° |
| H10 | C03 | H11 | 109.4° | 109.5° |
| H18 | N35 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C25 | F26 | F28 | 120.0° | 120.0° |
| F27 | C25 | F26 | C21 | 119.9° | 120.1° |
| F27 | C25 | F28 | C21 | 120.1° | 120.1° |
| F27 | C25 | C21 | C22 | 76.1° | 149.9° |
| F27 | C25 | C21 | C20 | 103.7° | 30.0° |
| F26 | C25 | F28 | C21 | 120.0° | 119.9° |
| F26 | C25 | C21 | C22 | 43.7° | 29.9° |
| F26 | C25 | C21 | C20 | 136.4° | 150.0° |
| F28 | C25 | C21 | C22 | 163.8° | 90.0° |
| F28 | C25 | C21 | C20 | 16.4° | 90.1° |
| C25 | C21 | C22 | C20 | 179.9° | 179.9° |
| C25 | C21 | C22 | C23 | 180.0° | 180.0° |
| C25 | C21 | C20 | C19 | 179.8° | 180.0° |
| C25 | C21 | C20 | H2 | 0.2° | 0.3° |
| C25 | C21 | C22 | H3 | 0.1° | 0.1° |
| C21 | C22 | C23 | H3 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.3° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H2 | 179.9° | 179.8° |
| C21 | C22 | C23 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C22 | C23 | C24 | H16 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.3° | 0.6° |
| C22 | C23 | C24 | H4 | 179.8° | 180.0° |
| C21 | C20 | C19 | H2 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.3° | 0.3° |
| C21 | C20 | C19 | C13 | 179.8° | 179.7° |
| C20 | C21 | C22 | H3 | 179.9° | 180.0° |
| C23 | C24 | C19 | C20 | 0.4° | 0.6° |
| C23 | C24 | C19 | H4 | 180.0° | 179.4° |
| C23 | C24 | C19 | C13 | 179.9° | 179.5° |
| C24 | C23 | C22 | H3 | 180.0° | 179.8° |
| C20 | C19 | C24 | C13 | 179.5° | 180.0° |
| C20 | C19 | C13 | N12 | 48.1° | 0.1° |
| C20 | C19 | C13 | C14 | 131.7° | 179.7° |
| C20 | C19 | C24 | H4 | 179.6° | 180.0° |
| C24 | C19 | C13 | N12 | 132.4° | 180.0° |
| C24 | C19 | C13 | C14 | 47.8° | 0.4° |
| C24 | C19 | C20 | H2 | 179.7° | 180.0° |
| C19 | C24 | C23 | H16 | 179.7° | 179.8° |
| C19 | C13 | N12 | C14 | 179.8° | 179.6° |
| C19 | C13 | N12 | C11 | 179.9° | 180.0° |
| C19 | C13 | C14 | C15 | 179.8° | 179.9° |
| C13 | C19 | C20 | H2 | 0.2° | 0.0° |
| C13 | C19 | C24 | H4 | 0.2° | 0.1° |
| C19 | C13 | C14 | H13 | 0.2° | 0.4° |
| N12 | C13 | C14 | C15 | 0.0° | 0.4° |
| C13 | N12 | C11 | C10 | 0.1° | 0.1° |
| C13 | N12 | C11 | H12 | 179.9° | 179.9° |
| N12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C14 | C13 | N12 | C11 | 0.1° | 0.4° |
| C13 | C14 | C15 | H13 | 180.0° | 179.6° |
| C13 | C14 | C15 | C10 | 0.1° | 0.1° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| N12 | C11 | C10 | H12 | 180.0° | 180.0° |
| N12 | C11 | C10 | C15 | 0.1° | 0.2° |
| N12 | C11 | C10 | C09 | 179.9° | 180.0° |
| C14 | C15 | C10 | C11 | 0.0° | 0.2° |
| C14 | C15 | C10 | C16 | 179.9° | 179.9° |
| C14 | C15 | C10 | C09 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | H14 | 0.0° | 0.2° |
| C11 | C10 | C15 | C09 | 180.0° | 179.7° |
| C11 | C10 | C15 | C16 | 179.9° | 179.7° |
| C11 | C10 | C09 | C08 | 0.2° | 0.3° |
| C11 | C10 | C09 | C18 | 180.0° | 179.8° |
| C10 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C10 | C09 | C08 | 179.8° | 179.9° |
| C15 | C10 | C09 | C18 | 0.0° | 0.0° |
| C15 | C10 | C11 | H12 | 179.9° | 179.8° |
| C10 | C15 | C14 | H13 | 179.9° | 179.7° |
| C10 | C15 | C16 | H14 | 179.8° | 179.9° |
| C16 | C15 | C10 | C09 | 0.1° | 0.1° |
| C15 | C16 | C17 | H14 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H1 | 179.8° | 179.9° |
| C16 | C15 | C14 | H13 | 0.0° | 0.4° |
| C10 | C09 | C08 | C18 | 179.8° | 179.9° |
| C10 | C09 | C08 | C07 | 162.6° | 17.0° |
| C10 | C09 | C18 | C17 | 0.0° | 0.1° |
| C09 | C10 | C11 | H12 | 0.1° | 0.0° |
| C10 | C09 | C18 | H15 | 180.0° | 180.0° |
| C01 | C02 | N04 | N05 | 106.7° | 59.8° |
| C01 | C02 | C03 | N04 | 120.5° | 120.1° |
| C01 | C02 | C03 | H8 | 119.8° | 119.9° |
| C01 | C02 | N04 | H8 | 119.1° | 119.9° |
| C01 | C02 | N04 | C30 | 73.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 180.0° | 60.0° |
| C01 | C02 | C03 | H10 | 60.0° | 180.0° |
| C01 | C02 | C03 | H11 | 60.0° | 60.0° |
| C16 | C17 | C18 | C09 | 0.1° | 0.1° |
| C16 | C17 | C18 | H1 | 180.0° | 180.0° |
| C16 | C17 | C18 | H15 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 77.5° | 137.3° |
| C08 | C09 | C18 | C17 | 179.8° | 180.0° |
| C08 | C09 | C18 | H15 | 0.2° | 0.1° |
| C18 | C09 | C08 | C07 | 17.5° | 163.0° |
| C09 | C18 | C17 | H15 | 180.0° | 179.9° |
| C09 | C18 | C17 | H1 | 179.9° | 180.0° |
| C08 | C07 | C06 | N05 | 7.9° | 120.1° |
| C08 | C07 | C06 | C29 | 172.0° | 59.7° |
| N05 | C06 | C07 | C29 | 180.0° | 179.7° |
| C06 | N05 | N04 | C02 | 179.8° | 179.8° |
| C06 | N05 | N04 | C30 | 0.1° | 0.4° |
| N05 | C06 | C29 | C30 | 0.0° | 0.2° |
| N05 | C06 | C29 | C34 | 179.9° | 179.7° |
| N04 | N05 | C06 | C07 | 179.9° | 179.8° |
| N05 | N04 | C02 | C03 | 15.2° | 60.3° |
| N05 | N04 | C02 | C30 | 179.7° | 179.8° |
| N04 | N05 | C06 | C29 | 0.0° | 0.4° |
| N05 | N04 | C30 | C29 | 0.2° | 0.3° |
| N05 | N04 | C30 | N31 | 179.9° | 179.7° |
| N05 | N04 | C02 | H8 | 134.3° | 179.7° |
| C07 | C06 | C29 | C30 | 180.0° | 180.0° |
| C07 | C06 | C29 | C34 | 0.1° | 0.0° |
| C03 | C02 | N04 | H8 | 119.0° | 120.0° |
| C03 | C02 | N04 | C30 | 165.1° | 120.0° |
| C03 | C02 | C01 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | N04 | C30 | C29 | 179.9° | 179.9° |
| C02 | N04 | C30 | N31 | 0.2° | 0.1° |
| N04 | C02 | C01 | H5 | 59.6° | 59.9° |
| N04 | C02 | C01 | H6 | 60.4° | 60.0° |
| N04 | C02 | C01 | H7 | 179.6° | 180.0° |
| N04 | C02 | C03 | H9 | 59.5° | 60.1° |
| N04 | C02 | C03 | H10 | 179.5° | 60.0° |
| N04 | C02 | C03 | H11 | 60.5° | 180.0° |
| C06 | C29 | C30 | N04 | 0.1° | 0.0° |
| C06 | C29 | C30 | C34 | 179.9° | 180.0° |
| C06 | C29 | C30 | N31 | 180.0° | 180.0° |
| C06 | C29 | C34 | N35 | 0.0° | 0.0° |
| C06 | C29 | C34 | N33 | 179.9° | 180.0° |
| N04 | C30 | C29 | N31 | 179.9° | 180.0° |
| N04 | C30 | C29 | C34 | 179.9° | 180.0° |
| N04 | C30 | N31 | C32 | 179.9° | 180.0° |
| C30 | N04 | C02 | H8 | 46.1° | 0.0° |
| C30 | C29 | C34 | N35 | 179.9° | 180.0° |
| C30 | C29 | C34 | N33 | 0.0° | 0.0° |
| C29 | C30 | N31 | C32 | 0.0° | 0.0° |
| C34 | C29 | C30 | N31 | 0.0° | 0.0° |
| C29 | C34 | N35 | N33 | 180.0° | 180.0° |
| C29 | C34 | N33 | C32 | 0.0° | 0.1° |
| C29 | C34 | N35 | H18 | 180.0° | 0.0° |
| C29 | C34 | N35 | H19 | 60.0° | 180.0° |
| C30 | N31 | C32 | N33 | 0.0° | 0.1° |
| C30 | N31 | C32 | H17 | 180.0° | 180.0° |
| N35 | C34 | N33 | C32 | 179.9° | 180.0° |
| C34 | N35 | H18 | H19 | 120.0° | 180.0° |
| C34 | N33 | C32 | N31 | 0.0° | 0.1° |
| C34 | N33 | C32 | H17 | 180.0° | 179.9° |
| N33 | C34 | N35 | H18 | 0.0° | 179.9° |
| N33 | C34 | N35 | H19 | 120.0° | 0.0° |
| N31 | C32 | N33 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | H14 | 179.9° | 179.9° |
| H1 | C17 | C16 | H14 | 0.2° | 0.1° |
| H1 | C17 | C18 | H15 | 0.1° | 0.0° |
| H3 | C22 | C23 | H16 | 0.0° | 0.1° |
| H4 | C24 | C23 | H16 | 0.2° | 0.4° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 60.2° | 60.0° |
| H6 | C01 | C02 | H8 | 179.8° | 180.0° |
| H7 | C01 | C02 | H8 | 59.8° | 60.0° |
| H8 | C02 | C03 | H9 | 60.3° | 179.9° |
| H8 | C02 | C03 | H10 | 59.8° | 60.0° |
| H8 | C02 | C03 | H11 | 179.7° | 60.0° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
