E7T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C31 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | C32 | sing | 1.53Å | 1.54Å | |
| C8 | N10 | sing | 1.47Å | 1.47Å | |
| C8 | C23 | sing | 1.51Å | 1.52Å | |
| N10 | C11 | sing | 1.39Å | 1.39Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C22 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.38Å | 1.38Å | |
| C15 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| N16 | C18 | sing | 1.35Å | 1.35Å | |
| C18 | O19 | doub | 1.22Å | 1.23Å | |
| C18 | C20 | sing | 1.41Å | 1.42Å | |
| C20 | C21 | doub | 1.36Å | 1.36Å | |
| C21 | C22 | sing | 1.42Å | 1.43Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | F26 | sing | 1.35Å | 1.35Å | |
| C25 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.35Å | |
| C27 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.35Å | |
| C29 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | F33 | sing | 1.40Å | 1.40Å | |
| C32 | F34 | sing | 1.40Å | 1.39Å | |
| C32 | F35 | sing | 1.40Å | 1.40Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 107.6° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.4° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| C1 | C2 | H21C | 109.9° | 109.4° |
| C1 | C2 | H22C | 109.9° | 109.5° |
| C2 | C3 | C5 | 107.4° | 109.3° |
| C2 | C3 | C31 | 113.3° | 109.3° |
| C3 | C2 | H21C | 109.9° | 109.5° |
| C3 | C2 | H22C | 109.9° | 109.5° |
| C2 | C3 | H3 | 107.5° | 109.3° |
| C5 | C3 | C31 | 113.3° | 110.6° |
| C3 | C5 | C6 | 113.5° | 108.4° |
| C5 | C3 | H3 | 107.6° | 109.2° |
| C3 | C5 | H51C | 108.5° | 109.6° |
| C3 | C5 | H52C | 108.5° | 109.7° |
| C3 | C31 | C23 | 122.0° | 122.6° |
| C3 | C31 | C29 | 119.2° | 117.7° |
| C31 | C3 | H3 | 107.6° | 109.2° |
| C5 | C6 | O7 | 110.8° | 109.7° |
| C5 | C6 | C8 | 107.8° | 108.4° |
| C5 | C6 | C32 | 108.7° | 109.7° |
| C6 | C5 | H51C | 108.4° | 109.7° |
| C6 | C5 | H52C | 108.4° | 109.7° |
| O7 | C6 | C8 | 110.1° | 109.7° |
| O7 | C6 | C32 | 106.5° | 109.7° |
| C6 | O7 | H7 | 109.5° | 114.0° |
| C8 | C6 | C32 | 113.0° | 109.7° |
| C6 | C8 | N10 | 105.0° | 109.2° |
| C6 | C8 | C23 | 109.0° | 110.6° |
| C6 | C8 | H8 | 110.8° | 109.3° |
| C6 | C32 | F33 | 108.9° | 109.4° |
| C6 | C32 | F34 | 111.2° | 109.5° |
| C6 | C32 | F35 | 110.9° | 109.5° |
| N10 | C8 | C23 | 108.6° | 109.3° |
| C8 | N10 | C11 | 124.1° | 119.9° |
| N10 | C8 | H8 | 111.9° | 109.3° |
| C8 | N10 | H10 | 105.7° | 120.0° |
| C8 | C23 | C24 | 118.0° | 117.7° |
| C8 | C23 | C31 | 122.2° | 122.5° |
| C23 | C8 | H8 | 111.2° | 109.3° |
| N10 | C11 | C12 | 121.7° | 120.3° |
| N10 | C11 | C22 | 118.2° | 120.2° |
| C11 | N10 | H10 | 105.7° | 120.0° |
| C12 | C11 | C22 | 120.0° | 119.5° |
| C11 | C12 | C13 | 120.1° | 120.4° |
| C11 | C12 | H12 | 120.0° | 119.8° |
| C11 | C22 | C15 | 118.9° | 119.6° |
| C11 | C22 | C21 | 121.8° | 120.9° |
| C12 | C13 | C14 | 120.5° | 120.8° |
| C13 | C12 | H12 | 119.9° | 119.8° |
| C12 | C13 | H13 | 119.7° | 119.6° |
| C13 | C14 | C15 | 120.7° | 120.1° |
| C14 | C13 | H13 | 119.7° | 119.6° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C14 | C15 | N16 | 120.8° | 120.7° |
| C14 | C15 | C22 | 119.7° | 119.6° |
| C15 | C14 | H14 | 119.7° | 119.9° |
| N16 | C15 | C22 | 119.5° | 119.7° |
| C15 | N16 | C18 | 120.9° | 120.4° |
| C15 | N16 | H16 | 119.6° | 119.8° |
| C15 | C22 | C21 | 119.3° | 119.4° |
| N16 | C18 | O19 | 119.2° | 119.5° |
| N16 | C18 | C20 | 120.6° | 120.9° |
| C18 | N16 | H16 | 119.5° | 119.7° |
| O19 | C18 | C20 | 120.2° | 119.5° |
| C18 | C20 | C21 | 120.5° | 120.3° |
| C18 | C20 | H20 | 119.7° | 119.9° |
| C20 | C21 | C22 | 119.2° | 119.2° |
| C21 | C20 | H20 | 119.7° | 119.8° |
| C20 | C21 | H21 | 120.4° | 120.5° |
| C22 | C21 | H21 | 120.4° | 120.4° |
| C24 | C23 | C31 | 119.6° | 119.8° |
| C23 | C24 | C25 | 120.9° | 120.7° |
| C23 | C24 | H24 | 119.6° | 119.7° |
| C23 | C31 | C29 | 118.6° | 119.7° |
| C24 | C25 | F26 | 121.2° | 120.2° |
| C24 | C25 | C27 | 120.0° | 119.7° |
| C25 | C24 | H24 | 119.5° | 119.6° |
| F26 | C25 | C27 | 118.8° | 120.1° |
| C25 | C27 | F28 | 118.9° | 120.2° |
| C25 | C27 | C29 | 120.0° | 119.7° |
| F28 | C27 | C29 | 121.1° | 120.1° |
| C27 | C29 | O30 | 117.7° | 119.8° |
| C27 | C29 | C31 | 120.8° | 120.4° |
| O30 | C29 | C31 | 121.5° | 119.8° |
| C29 | O30 | H30 | 109.5° | 114.0° |
| F33 | C32 | F34 | 107.3° | 109.5° |
| F33 | C32 | F35 | 109.6° | 109.5° |
| F34 | C32 | F35 | 108.8° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H21C | 119.7° | 120.0° |
| C1 | C2 | C3 | H22C | 119.7° | 120.0° |
| C1 | C2 | C3 | C5 | 98.8° | 58.1° |
| C1 | C2 | C3 | C31 | 135.4° | 179.2° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | H21C | H22C | 120.9° | 120.0° |
| C1 | C2 | C3 | H3 | 16.6° | 61.3° |
| C2 | C3 | C5 | C31 | 125.8° | 120.3° |
| C2 | C3 | C5 | H3 | 115.4° | 119.5° |
| C2 | C3 | C31 | H3 | 118.7° | 119.5° |
| C2 | C3 | C5 | C6 | 157.9° | 171.3° |
| C2 | C3 | C31 | C23 | 121.7° | 137.8° |
| C2 | C3 | C31 | C29 | 63.9° | 42.2° |
| C3 | C2 | C1 | H11C | 180.0° | 55.3° |
| C3 | C2 | C1 | H12C | 60.0° | 175.4° |
| C3 | C2 | C1 | H13C | 60.0° | 64.6° |
| C3 | C2 | H21C | H22C | 120.9° | 120.0° |
| C2 | C3 | C5 | H51C | 37.3° | 51.7° |
| C2 | C3 | C5 | H52C | 81.5° | 68.9° |
| C5 | C3 | C31 | H3 | 118.7° | 120.2° |
| C3 | C5 | C6 | H51C | 120.6° | 119.7° |
| C3 | C5 | C6 | H52C | 120.6° | 119.8° |
| C3 | C5 | C6 | O7 | 57.8° | 49.8° |
| C3 | C5 | C6 | C8 | 62.7° | 69.9° |
| C3 | C5 | C6 | C32 | 174.5° | 170.4° |
| C5 | C3 | C31 | C23 | 0.9° | 17.5° |
| C5 | C3 | C31 | C29 | 173.5° | 162.5° |
| C5 | C3 | C2 | H21C | 141.5° | 178.1° |
| C5 | C3 | C2 | H22C | 20.9° | 61.9° |
| C3 | C5 | H51C | H52C | 118.2° | 120.6° |
| C31 | C3 | C5 | C6 | 32.1° | 51.0° |
| C3 | C31 | C23 | C8 | 2.5° | 0.3° |
| C3 | C31 | C23 | C24 | 177.2° | 179.7° |
| C3 | C31 | C23 | C29 | 174.5° | 180.0° |
| C3 | C31 | C29 | C27 | 178.2° | 179.8° |
| C3 | C31 | C29 | O30 | 3.8° | 0.2° |
| C31 | C3 | C2 | H21C | 15.7° | 60.8° |
| C31 | C3 | C2 | H22C | 104.9° | 59.2° |
| C31 | C3 | C5 | H51C | 88.5° | 68.6° |
| C31 | C3 | C5 | H52C | 152.7° | 170.8° |
| C5 | C6 | O7 | C8 | 119.1° | 118.9° |
| C5 | C6 | O7 | C32 | 118.0° | 120.6° |
| C5 | C6 | C8 | C32 | 120.0° | 119.7° |
| C5 | C6 | C8 | N10 | 174.5° | 171.4° |
| C5 | C6 | C8 | C23 | 58.2° | 51.1° |
| C5 | C6 | C32 | F33 | 51.5° | 60.0° |
| C5 | C6 | C32 | F34 | 169.6° | 180.0° |
| C5 | C6 | C32 | F35 | 69.2° | 60.0° |
| C6 | C5 | C3 | H3 | 86.7° | 69.2° |
| C6 | C5 | H51C | H52C | 118.2° | 120.5° |
| C5 | C6 | O7 | H7 | 180.0° | 60.0° |
| C5 | C6 | C8 | H8 | 64.4° | 69.2° |
| O7 | C6 | C8 | C32 | 119.0° | 120.5° |
| O7 | C6 | C8 | N10 | 53.5° | 51.6° |
| O7 | C6 | C8 | C23 | 62.8° | 68.7° |
| O7 | C6 | C32 | F33 | 67.9° | 60.6° |
| O7 | C6 | C32 | F34 | 50.1° | 59.4° |
| O7 | C6 | C32 | F35 | 171.4° | 179.5° |
| O7 | C6 | C5 | H51C | 178.4° | 169.5° |
| O7 | C6 | C5 | H52C | 62.8° | 70.0° |
| O7 | C6 | C8 | H8 | 174.6° | 171.1° |
| C6 | C8 | N10 | C23 | 116.6° | 121.1° |
| C6 | C8 | N10 | H8 | 120.3° | 119.4° |
| C6 | C8 | C23 | H8 | 122.4° | 120.3° |
| C6 | C8 | N10 | C11 | 133.6° | 155.0° |
| C6 | C8 | C23 | C24 | 146.8° | 162.5° |
| C6 | C8 | C23 | C31 | 28.0° | 17.5° |
| C8 | C6 | C32 | F33 | 171.1° | 178.9° |
| C8 | C6 | C32 | F34 | 70.9° | 61.1° |
| C8 | C6 | C32 | F35 | 50.4° | 58.9° |
| C8 | C6 | C5 | H51C | 57.9° | 49.7° |
| C8 | C6 | C5 | H52C | 176.7° | 170.3° |
| C8 | C6 | O7 | H7 | 60.9° | 178.9° |
| C6 | C8 | N10 | H10 | 11.6° | 25.0° |
| C32 | C6 | C8 | N10 | 65.5° | 68.9° |
| C32 | C6 | C8 | C23 | 178.2° | 170.8° |
| C6 | C32 | F33 | F34 | 120.4° | 120.0° |
| C6 | C32 | F33 | F35 | 121.5° | 120.0° |
| C6 | C32 | F34 | F35 | 122.5° | 120.0° |
| C32 | C6 | C5 | H51C | 64.9° | 70.0° |
| C32 | C6 | C5 | H52C | 54.0° | 50.6° |
| C32 | C6 | O7 | H7 | 62.0° | 60.6° |
| C32 | C6 | C8 | H8 | 55.6° | 50.5° |
| N10 | C8 | C23 | H8 | 123.6° | 119.5° |
| C8 | N10 | C11 | H10 | 122.0° | 180.0° |
| C8 | N10 | C11 | C12 | 18.1° | 0.0° |
| C8 | N10 | C11 | C22 | 164.6° | 179.8° |
| N10 | C8 | C23 | C24 | 32.9° | 42.2° |
| N10 | C8 | C23 | C31 | 142.0° | 137.8° |
| C23 | C8 | N10 | C11 | 109.9° | 83.9° |
| C8 | C23 | C24 | C31 | 175.0° | 180.0° |
| C8 | C23 | C24 | C25 | 174.7° | 179.7° |
| C8 | C23 | C31 | C29 | 172.0° | 179.7° |
| C23 | C8 | N10 | H10 | 128.2° | 96.1° |
| C8 | C23 | C24 | H24 | 5.3° | 0.2° |
| N10 | C11 | C12 | C22 | 177.2° | 179.8° |
| N10 | C11 | C12 | C13 | 177.5° | 179.9° |
| N10 | C11 | C22 | C15 | 175.7° | 179.7° |
| N10 | C11 | C22 | C21 | 4.5° | 0.4° |
| C11 | N10 | C8 | H8 | 13.3° | 35.6° |
| N10 | C11 | C12 | H12 | 2.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 2.0° | 0.1° |
| C12 | C11 | C22 | C15 | 1.6° | 0.5° |
| C12 | C11 | C22 | C21 | 178.2° | 179.8° |
| C12 | C11 | N10 | H10 | 140.1° | 180.0° |
| C11 | C12 | C13 | H13 | 177.9° | 180.0° |
| C22 | C11 | C12 | C13 | 0.3° | 0.2° |
| C11 | C22 | C15 | C14 | 1.8° | 0.5° |
| C11 | C22 | C15 | N16 | 178.8° | 179.8° |
| C11 | C22 | C15 | C21 | 179.8° | 179.3° |
| C11 | C22 | C21 | C20 | 179.8° | 179.7° |
| C22 | C11 | N10 | H10 | 42.7° | 0.3° |
| C22 | C11 | C12 | H12 | 179.7° | 179.7° |
| C11 | C22 | C21 | H21 | 0.2° | 0.4° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.8° | 0.1° |
| C12 | C13 | C14 | H14 | 178.2° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 179.5° | 179.9° |
| C13 | C14 | C15 | C22 | 0.1° | 0.2° |
| C14 | C13 | C12 | H12 | 178.0° | 180.0° |
| C14 | C15 | N16 | C22 | 179.4° | 179.7° |
| C14 | C15 | N16 | C18 | 178.3° | 180.0° |
| C14 | C15 | C22 | C21 | 178.0° | 179.8° |
| C15 | C14 | C13 | H13 | 178.2° | 179.9° |
| C14 | C15 | N16 | H16 | 1.7° | 0.1° |
| C15 | N16 | C18 | H16 | 180.0° | 179.9° |
| C15 | N16 | C18 | O19 | 179.9° | 180.0° |
| C15 | N16 | C18 | C20 | 0.2° | 0.1° |
| N16 | C15 | C22 | C21 | 1.4° | 0.4° |
| N16 | C15 | C14 | H14 | 0.5° | 0.1° |
| C22 | C15 | N16 | C18 | 1.1° | 0.3° |
| C15 | C22 | C21 | C20 | 0.4° | 0.4° |
| C22 | C15 | C14 | H14 | 179.8° | 179.8° |
| C22 | C15 | N16 | H16 | 178.9° | 179.8° |
| C15 | C22 | C21 | H21 | 179.6° | 179.8° |
| N16 | C18 | O19 | C20 | 179.7° | 179.9° |
| N16 | C18 | C20 | C21 | 1.2° | 0.1° |
| N16 | C18 | C20 | H20 | 178.8° | 179.9° |
| O19 | C18 | C20 | C21 | 179.1° | 180.0° |
| O19 | C18 | N16 | H16 | 0.1° | 0.0° |
| O19 | C18 | C20 | H20 | 0.9° | 0.0° |
| C18 | C20 | C21 | H20 | 180.0° | 180.0° |
| C18 | C20 | C21 | C22 | 0.9° | 0.2° |
| C20 | C18 | N16 | H16 | 179.8° | 180.0° |
| C18 | C20 | C21 | H21 | 179.1° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C22 | C21 | C20 | H20 | 179.1° | 179.8° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | F26 | 179.6° | 179.9° |
| C23 | C24 | C25 | C27 | 1.5° | 0.1° |
| C24 | C23 | C31 | C29 | 2.8° | 0.3° |
| C24 | C23 | C8 | H8 | 90.7° | 77.3° |
| C31 | C23 | C24 | C25 | 0.3° | 0.3° |
| C23 | C31 | C29 | C27 | 3.6° | 0.2° |
| C23 | C31 | C29 | O30 | 178.4° | 179.8° |
| C23 | C31 | C3 | H3 | 119.6° | 102.7° |
| C31 | C23 | C8 | H8 | 94.4° | 102.7° |
| C31 | C23 | C24 | H24 | 179.7° | 179.8° |
| C24 | C25 | F26 | C27 | 178.1° | 180.0° |
| C24 | C25 | C27 | F28 | 179.5° | 179.9° |
| C24 | C25 | C27 | C29 | 0.8° | 0.0° |
| F26 | C25 | C27 | F28 | 1.4° | 0.1° |
| F26 | C25 | C27 | C29 | 178.9° | 179.9° |
| F26 | C25 | C24 | H24 | 0.4° | 0.0° |
| C25 | C27 | F28 | C29 | 179.7° | 180.0° |
| C25 | C27 | C29 | O30 | 179.9° | 180.0° |
| C25 | C27 | C29 | C31 | 1.8° | 0.0° |
| C27 | C25 | C24 | H24 | 178.5° | 180.0° |
| F28 | C27 | C29 | O30 | 0.2° | 0.0° |
| F28 | C27 | C29 | C31 | 177.9° | 180.0° |
| C27 | C29 | O30 | C31 | 178.1° | 180.0° |
| C27 | C29 | O30 | H30 | 180.0° | 94.9° |
| C29 | C31 | C3 | H3 | 54.8° | 77.3° |
| C31 | C29 | O30 | H30 | 1.9° | 85.1° |
| F33 | C32 | F34 | F35 | 118.6° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H11C | C1 | C2 | H21C | 60.3° | 175.3° |
| H11C | C1 | C2 | H22C | 60.3° | 64.7° |
| H12C | C1 | C2 | H21C | 59.7° | 64.6° |
| H12C | C1 | C2 | H22C | 179.7° | 55.4° |
| H13C | C1 | C2 | H21C | 179.7° | 55.4° |
| H13C | C1 | C2 | H22C | 59.7° | 175.4° |
| H21C | C2 | C3 | H3 | 103.1° | 58.6° |
| H22C | C2 | C3 | H3 | 136.3° | 178.6° |
| H3 | C3 | C5 | H51C | 152.7° | 171.1° |
| H3 | C3 | C5 | H52C | 33.9° | 50.6° |
| H8 | C8 | N10 | H10 | 108.7° | 144.4° |
| H12 | C12 | C13 | H13 | 2.1° | 0.1° |
| H13 | C13 | C14 | H14 | 1.8° | 0.1° |
| H20 | C20 | C21 | H21 | 0.8° | 0.0° |
