8EN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F31 | C30 | sing | 1.40Å | 1.36Å | |
| F33 | C30 | sing | 1.40Å | 1.35Å | |
| F32 | C30 | sing | 1.40Å | 1.36Å | |
| C30 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.51Å | |
| O10 | C8 | doub | 1.22Å | 1.22Å | |
| C8 | N7 | sing | 1.35Å | 1.36Å | |
| N7 | C4 | sing | 1.40Å | 1.42Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C17 | sing | 1.48Å | 1.51Å | |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.35Å | Aromatic |
| C17 | C22 | sing | 1.41Å | 1.49Å | Aromatic |
| C1 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | N19 | sing | 1.36Å | 1.31Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.33Å | Aromatic |
| N19 | C23 | sing | 1.37Å | 1.31Å | Aromatic |
| N19 | C20 | sing | 1.37Å | 1.31Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.36Å | Aromatic |
| O29 | C27 | doub | 1.21Å | 1.22Å | |
| C21 | C20 | sing | 1.41Å | 1.46Å | Aromatic |
| C20 | N25 | doub | 1.33Å | 1.24Å | Aromatic |
| C24 | N25 | sing | 1.34Å | 1.43Å | Aromatic |
| C24 | N26 | sing | 1.40Å | 1.34Å | |
| C27 | N26 | sing | 1.35Å | 1.35Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| N7 | H18 | sing | 0.97Å | 1.00Å | |
| N26 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F31 | C30 | F33 | 107.7° | 109.4° |
| F31 | C30 | F32 | 110.2° | 109.5° |
| F31 | C30 | C14 | 111.7° | 109.5° |
| F33 | C30 | F32 | 106.7° | 109.5° |
| F33 | C30 | C14 | 110.8° | 109.4° |
| F32 | C30 | C14 | 109.6° | 109.5° |
| C30 | C14 | C13 | 121.5° | 119.9° |
| C30 | C14 | C15 | 119.7° | 119.9° |
| C13 | C14 | C15 | 118.8° | 120.1° |
| C14 | C13 | C12 | 121.1° | 120.3° |
| C14 | C13 | H4 | 119.5° | 119.8° |
| C14 | C15 | C9 | 120.7° | 119.9° |
| C14 | C15 | H5 | 119.6° | 120.1° |
| C13 | C12 | C11 | 119.7° | 120.2° |
| C13 | C12 | H3 | 120.2° | 119.9° |
| C12 | C13 | H4 | 119.4° | 119.9° |
| C15 | C9 | C11 | 119.7° | 119.7° |
| C15 | C9 | C8 | 118.5° | 120.2° |
| C9 | C15 | H5 | 119.7° | 120.1° |
| C12 | C11 | C9 | 119.9° | 119.8° |
| C12 | C11 | H2 | 120.0° | 120.1° |
| C11 | C12 | H3 | 120.2° | 119.9° |
| C11 | C9 | C8 | 121.5° | 120.1° |
| C9 | C11 | H2 | 120.1° | 120.1° |
| C9 | C8 | O10 | 116.4° | 120.0° |
| C9 | C8 | N7 | 119.1° | 120.0° |
| O10 | C8 | N7 | 124.5° | 120.0° |
| C8 | N7 | C4 | 125.2° | 120.0° |
| C8 | N7 | H18 | 117.4° | 120.0° |
| N7 | C4 | C5 | 119.7° | 120.0° |
| N7 | C4 | C3 | 121.1° | 120.0° |
| C4 | N7 | H18 | 117.4° | 120.0° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C4 | C5 | H16 | 119.9° | 119.9° |
| C4 | C3 | C2 | 121.0° | 119.8° |
| C4 | C3 | H1 | 119.5° | 120.1° |
| C5 | C6 | C1 | 121.0° | 120.2° |
| C6 | C5 | H16 | 119.9° | 119.9° |
| C5 | C6 | H17 | 119.5° | 119.9° |
| C3 | C2 | C17 | 115.1° | 120.1° |
| C3 | C2 | C1 | 120.7° | 119.8° |
| C2 | C3 | H1 | 119.5° | 120.1° |
| C17 | C2 | C1 | 124.0° | 120.1° |
| C2 | C17 | C18 | 121.5° | 120.0° |
| C2 | C17 | C22 | 117.4° | 120.0° |
| C2 | C1 | C6 | 117.9° | 120.1° |
| C2 | C1 | C16 | 123.3° | 120.0° |
| C6 | C1 | C16 | 118.8° | 120.0° |
| C1 | C6 | H17 | 119.5° | 120.0° |
| C18 | C17 | C22 | 121.1° | 120.0° |
| C17 | C18 | N19 | 118.1° | 120.5° |
| C17 | C18 | H9 | 121.0° | 119.8° |
| C17 | C22 | C21 | 119.5° | 119.6° |
| C17 | C22 | H11 | 120.3° | 120.2° |
| C1 | C16 | H6 | 109.5° | 109.5° |
| C1 | C16 | H7 | 109.5° | 109.5° |
| C1 | C16 | H8 | 109.5° | 109.5° |
| C18 | N19 | C23 | 126.6° | 132.4° |
| C18 | N19 | C20 | 123.5° | 120.5° |
| N19 | C18 | H9 | 120.9° | 119.7° |
| C22 | C21 | C20 | 114.4° | 119.5° |
| C22 | C21 | H10 | 122.8° | 120.3° |
| C21 | C22 | H11 | 120.2° | 120.2° |
| C23 | N19 | C20 | 109.8° | 107.1° |
| N19 | C23 | C24 | 107.8° | 107.1° |
| N19 | C23 | H12 | 126.1° | 126.5° |
| N19 | C20 | C21 | 123.4° | 119.8° |
| N19 | C20 | N25 | 110.4° | 108.1° |
| C23 | C24 | N25 | 103.5° | 108.4° |
| C23 | C24 | N26 | 133.6° | 125.8° |
| C24 | C23 | H12 | 126.1° | 126.4° |
| O29 | C27 | N26 | 122.9° | 120.0° |
| O29 | C27 | C28 | 120.1° | 120.0° |
| C21 | C20 | N25 | 126.2° | 132.1° |
| C20 | C21 | H10 | 122.8° | 120.2° |
| C20 | N25 | C24 | 108.4° | 109.2° |
| N25 | C24 | N26 | 122.8° | 125.8° |
| C24 | N26 | C27 | 126.5° | 120.0° |
| C24 | N26 | H19 | 116.7° | 120.0° |
| N26 | C27 | C28 | 117.0° | 120.0° |
| C27 | N26 | H19 | 116.8° | 120.0° |
| C27 | C28 | H13 | 109.5° | 109.5° |
| C27 | C28 | H14 | 109.5° | 109.4° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.4° | 109.4° |
| H6 | C16 | H8 | 109.4° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H13 | C28 | H15 | 109.5° | 109.6° |
| H14 | C28 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F31 | C30 | F33 | F32 | 118.3° | 120.0° |
| F31 | C30 | F33 | C14 | 122.4° | 120.0° |
| F31 | C30 | F32 | C14 | 123.3° | 120.1° |
| F31 | C30 | C14 | C13 | 9.9° | 0.1° |
| F31 | C30 | C14 | C15 | 167.3° | 180.0° |
| F33 | C30 | F32 | C14 | 120.0° | 120.0° |
| F33 | C30 | C14 | C13 | 110.2° | 120.0° |
| F33 | C30 | C14 | C15 | 72.6° | 60.0° |
| F32 | C30 | C14 | C13 | 132.3° | 120.0° |
| F32 | C30 | C14 | C15 | 44.9° | 60.0° |
| C30 | C14 | C13 | C15 | 177.2° | 180.0° |
| C30 | C14 | C13 | C12 | 178.6° | 180.0° |
| C30 | C14 | C15 | C9 | 177.8° | 179.8° |
| C30 | C14 | C13 | H4 | 1.4° | 0.0° |
| C30 | C14 | C15 | H5 | 2.2° | 0.0° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | C9 | 0.5° | 0.2° |
| C14 | C13 | C12 | C11 | 4.1° | 0.0° |
| C14 | C13 | C12 | H3 | 176.0° | 180.0° |
| C13 | C14 | C15 | H5 | 179.5° | 180.0° |
| C15 | C14 | C13 | C12 | 4.1° | 0.1° |
| C14 | C15 | C9 | H5 | 180.0° | 179.8° |
| C14 | C15 | C9 | C11 | 3.1° | 0.4° |
| C14 | C15 | C9 | C8 | 177.1° | 180.0° |
| C15 | C14 | C13 | H4 | 175.9° | 180.0° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | C9 | 0.3° | 0.2° |
| C13 | C12 | C11 | H2 | 179.7° | 180.0° |
| C15 | C9 | C11 | C12 | 3.2° | 0.4° |
| C15 | C9 | C11 | C8 | 173.8° | 179.6° |
| C15 | C9 | C8 | O10 | 21.4° | 0.1° |
| C15 | C9 | C8 | N7 | 156.5° | 180.0° |
| C15 | C9 | C11 | H2 | 176.8° | 179.8° |
| C12 | C11 | C9 | H2 | 180.0° | 179.8° |
| C12 | C11 | C9 | C8 | 177.0° | 180.0° |
| C11 | C12 | C13 | H4 | 176.0° | 180.0° |
| C11 | C9 | C8 | O10 | 164.7° | 179.5° |
| C11 | C9 | C8 | N7 | 17.3° | 0.4° |
| C9 | C11 | C12 | H3 | 179.7° | 179.7° |
| C11 | C9 | C15 | H5 | 176.9° | 179.8° |
| C9 | C8 | O10 | N7 | 177.8° | 179.9° |
| C9 | C8 | N7 | C4 | 175.0° | 175.4° |
| C8 | C9 | C11 | H2 | 3.0° | 0.2° |
| C8 | C9 | C15 | H5 | 2.9° | 0.1° |
| C9 | C8 | N7 | H18 | 4.9° | 4.5° |
| O10 | C8 | N7 | C4 | 2.7° | 4.7° |
| O10 | C8 | N7 | H18 | 177.3° | 175.4° |
| C8 | N7 | C4 | H18 | 180.0° | 179.9° |
| C8 | N7 | C4 | C5 | 123.4° | 144.9° |
| C8 | N7 | C4 | C3 | 53.7° | 35.4° |
| N7 | C4 | C5 | C3 | 177.2° | 179.8° |
| N7 | C4 | C5 | C6 | 178.0° | 180.0° |
| N7 | C4 | C3 | C2 | 175.8° | 179.8° |
| N7 | C4 | C3 | H1 | 4.2° | 0.3° |
| N7 | C4 | C5 | H16 | 2.0° | 0.3° |
| C4 | C5 | C6 | H16 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 1.4° | 0.0° |
| C4 | C5 | C6 | C1 | 2.1° | 0.6° |
| C5 | C4 | C3 | H1 | 178.6° | 179.9° |
| C4 | C5 | C6 | H17 | 177.9° | 180.0° |
| C5 | C4 | N7 | H18 | 56.5° | 35.1° |
| C3 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C17 | 177.1° | 180.0° |
| C4 | C3 | C2 | C1 | 2.2° | 0.0° |
| C3 | C4 | C5 | H16 | 179.3° | 179.9° |
| C3 | C4 | N7 | H18 | 126.3° | 144.7° |
| C5 | C6 | C1 | C2 | 1.3° | 0.5° |
| C5 | C6 | C1 | H17 | 180.0° | 179.4° |
| C5 | C6 | C1 | C16 | 179.6° | 179.7° |
| C3 | C2 | C17 | C1 | 174.7° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 0.3° |
| C3 | C2 | C17 | C18 | 125.2° | 74.9° |
| C3 | C2 | C17 | C22 | 55.0° | 105.2° |
| C3 | C2 | C1 | C16 | 177.4° | 180.0° |
| C17 | C2 | C1 | C6 | 175.2° | 179.7° |
| C2 | C17 | C18 | C22 | 179.8° | 179.8° |
| C17 | C2 | C1 | C16 | 3.0° | 0.0° |
| C2 | C17 | C18 | N19 | 178.5° | 180.0° |
| C2 | C17 | C22 | C21 | 179.7° | 180.0° |
| C17 | C2 | C3 | H1 | 2.9° | 0.0° |
| C2 | C17 | C18 | H9 | 1.5° | 0.0° |
| C2 | C17 | C22 | H11 | 0.3° | 0.1° |
| C2 | C1 | C6 | C16 | 178.3° | 179.7° |
| C1 | C2 | C17 | C18 | 60.1° | 105.0° |
| C1 | C2 | C17 | C22 | 119.7° | 74.8° |
| C1 | C2 | C3 | H1 | 177.8° | 179.9° |
| C2 | C1 | C16 | H6 | 89.0° | 90.0° |
| C2 | C1 | C16 | H7 | 151.0° | 150.0° |
| C2 | C1 | C16 | H8 | 31.0° | 30.0° |
| C2 | C1 | C6 | H17 | 178.7° | 180.0° |
| C6 | C1 | C16 | H6 | 89.2° | 89.7° |
| C6 | C1 | C16 | H7 | 30.8° | 30.2° |
| C6 | C1 | C16 | H8 | 150.9° | 150.2° |
| C1 | C6 | C5 | H16 | 177.9° | 179.8° |
| C17 | C18 | N19 | H9 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.2° |
| C17 | C18 | N19 | C23 | 176.1° | 180.0° |
| C17 | C18 | N19 | C20 | 1.0° | 0.0° |
| C18 | C17 | C22 | H11 | 179.9° | 179.7° |
| C22 | C17 | C18 | N19 | 1.3° | 0.2° |
| C17 | C22 | C21 | H11 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 1.2° | 0.1° |
| C22 | C17 | C18 | H9 | 178.7° | 179.8° |
| C17 | C22 | C21 | H10 | 178.8° | 180.0° |
| C1 | C16 | H6 | H7 | 120.0° | 120.0° |
| C1 | C16 | H6 | H8 | 120.0° | 120.0° |
| C1 | C16 | H7 | H8 | 120.0° | 120.0° |
| C16 | C1 | C6 | H17 | 0.4° | 0.3° |
| C18 | N19 | C23 | C20 | 177.4° | 180.0° |
| C18 | N19 | C23 | C24 | 178.7° | 180.0° |
| C18 | N19 | C20 | C21 | 0.5° | 0.3° |
| C18 | N19 | C20 | N25 | 177.1° | 179.9° |
| C18 | N19 | C23 | H12 | 1.3° | 0.1° |
| C22 | C21 | C20 | N19 | 1.6° | 0.3° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | N25 | 175.7° | 180.0° |
| N19 | C23 | C24 | H12 | 180.0° | 179.9° |
| C23 | N19 | C20 | C21 | 178.0° | 179.7° |
| C23 | N19 | C20 | N25 | 0.3° | 0.1° |
| N19 | C23 | C24 | N25 | 2.2° | 0.1° |
| N19 | C23 | C24 | N26 | 178.6° | 180.0° |
| C23 | N19 | C18 | H9 | 3.9° | 0.0° |
| C20 | N19 | C23 | C24 | 1.3° | 0.0° |
| N19 | C20 | C21 | N25 | 177.3° | 179.7° |
| N19 | C20 | N25 | C24 | 1.8° | 0.1° |
| C20 | N19 | C18 | H9 | 179.0° | 180.0° |
| N19 | C20 | C21 | H10 | 178.4° | 179.8° |
| C20 | N19 | C23 | H12 | 178.7° | 179.9° |
| C23 | C24 | N25 | C20 | 2.5° | 0.1° |
| C23 | C24 | N25 | N26 | 176.9° | 179.9° |
| C23 | C24 | N26 | C27 | 11.9° | 0.1° |
| C23 | C24 | N26 | H19 | 168.1° | 180.0° |
| O29 | C27 | N26 | C24 | 1.4° | 0.1° |
| O29 | C27 | N26 | C28 | 179.8° | 179.9° |
| O29 | C27 | C28 | H13 | 0.0° | 89.9° |
| O29 | C27 | C28 | H14 | 120.0° | 30.0° |
| O29 | C27 | C28 | H15 | 120.0° | 150.0° |
| O29 | C27 | N26 | H19 | 178.6° | 179.9° |
| C21 | C20 | N25 | C24 | 179.4° | 179.7° |
| C20 | C21 | C22 | H11 | 178.8° | 180.0° |
| C20 | N25 | C24 | N26 | 179.4° | 179.9° |
| N25 | C20 | C21 | H10 | 4.3° | 0.1° |
| N25 | C24 | N26 | C27 | 172.3° | 180.0° |
| N25 | C24 | C23 | H12 | 177.8° | 180.0° |
| N25 | C24 | N26 | H19 | 7.7° | 0.1° |
| C24 | N26 | C27 | H19 | 180.0° | 179.9° |
| C24 | N26 | C27 | C28 | 178.4° | 180.0° |
| N26 | C24 | C23 | H12 | 1.4° | 0.1° |
| N26 | C27 | C28 | H13 | 179.8° | 90.0° |
| N26 | C27 | C28 | H14 | 60.2° | 150.0° |
| N26 | C27 | C28 | H15 | 59.8° | 30.1° |
| C27 | C28 | H13 | H14 | 120.0° | 119.9° |
| C27 | C28 | H13 | H15 | 120.0° | 120.1° |
| C27 | C28 | H14 | H15 | 120.0° | 119.9° |
| C28 | C27 | N26 | H19 | 1.6° | 0.1° |
| H2 | C11 | C12 | H3 | 0.3° | 0.0° |
| H3 | C12 | C13 | H4 | 4.0° | 0.1° |
| H6 | C16 | H7 | H8 | 120.0° | 120.0° |
| H10 | C21 | C22 | H11 | 1.2° | 0.1° |
| H13 | C28 | H14 | H15 | 120.0° | 120.1° |
| H16 | C5 | C6 | H17 | 2.1° | 0.3° |
