E6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C27 | sing | 1.43Å | 1.44Å | |
| O38 | C26 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| C27 | C22 | sing | 1.54Å | 1.55Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | BR | sing | 1.97Å | 2.02Å | |
| C26 | C25 | sing | 1.47Å | 1.51Å | |
| C6 | C22 | sing | 1.53Å | 1.57Å | |
| C6 | C1 | sing | 1.51Å | 1.53Å | |
| C18 | C13 | sing | 1.41Å | 1.48Å | Aromatic |
| C18 | C4 | sing | 1.47Å | 1.50Å | |
| C13 | C1 | sing | 1.47Å | 1.51Å | |
| C4 | O20 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C1 | O19 | doub | 1.21Å | 1.22Å | |
| C25 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.50Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.52Å | |
| C23 | O40 | doub | 1.21Å | 1.23Å | |
| C24 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H1 | sing | 1.08Å | 1.08Å | |
| C36 | H2 | sing | 1.08Å | 1.08Å | |
| C35 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| O41 | H6 | sing | 0.97Å | 0.95Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C27 | C26 | 111.2° | 109.6° |
| O41 | C27 | C22 | 113.0° | 109.8° |
| O41 | C27 | H5 | 107.1° | 109.9° |
| C27 | O41 | H6 | 109.5° | 114.0° |
| O38 | C26 | C27 | 121.4° | 120.7° |
| O38 | C26 | C25 | 119.4° | 120.8° |
| C15 | C16 | C17 | 121.2° | 120.6° |
| C16 | C15 | C14 | 121.9° | 120.6° |
| C15 | C16 | H11 | 119.4° | 119.7° |
| C16 | C15 | H12 | 119.1° | 119.7° |
| C16 | C17 | C18 | 118.4° | 119.7° |
| C16 | C17 | H10 | 120.8° | 120.2° |
| C17 | C16 | H11 | 119.3° | 119.7° |
| C15 | C14 | C13 | 119.0° | 119.7° |
| C14 | C15 | H12 | 119.0° | 119.8° |
| C15 | C14 | H13 | 120.5° | 120.2° |
| C26 | C27 | C22 | 113.1° | 108.4° |
| C27 | C26 | C25 | 119.1° | 118.6° |
| C26 | C27 | H5 | 106.1° | 109.6° |
| C27 | C22 | C6 | 108.4° | 109.7° |
| C27 | C22 | C23 | 111.3° | 108.3° |
| C22 | C27 | H5 | 105.9° | 109.6° |
| C27 | C22 | H7 | 106.2° | 109.6° |
| C17 | C18 | C13 | 120.8° | 119.7° |
| C17 | C18 | C4 | 123.7° | 120.9° |
| C18 | C17 | H10 | 120.8° | 120.2° |
| C14 | C13 | C18 | 118.5° | 119.7° |
| C14 | C13 | C1 | 125.0° | 121.0° |
| C13 | C14 | H13 | 120.5° | 120.1° |
| C6 | C5 | C4 | 115.1° | 108.5° |
| C6 | C5 | BR | 112.4° | 109.7° |
| C5 | C6 | C22 | 112.0° | 109.7° |
| C5 | C6 | C1 | 111.3° | 108.5° |
| C5 | C6 | H8 | 103.5° | 109.8° |
| C6 | C5 | H9 | 107.9° | 109.6° |
| C4 | C5 | BR | 108.0° | 109.6° |
| C5 | C4 | C18 | 120.0° | 118.5° |
| C5 | C4 | O20 | 121.1° | 120.7° |
| C4 | C5 | H9 | 108.7° | 109.6° |
| BR | C5 | H9 | 104.0° | 109.8° |
| C26 | C25 | C34 | 122.3° | 120.9° |
| C26 | C25 | C24 | 118.4° | 119.3° |
| C22 | C6 | C1 | 120.3° | 109.6° |
| C6 | C22 | C23 | 118.0° | 110.0° |
| C6 | C22 | H7 | 106.0° | 109.7° |
| C22 | C6 | H8 | 103.6° | 109.6° |
| C6 | C1 | C13 | 118.3° | 118.6° |
| C6 | C1 | O19 | 122.7° | 120.7° |
| C1 | C6 | H8 | 104.0° | 109.6° |
| C13 | C18 | C4 | 115.4° | 119.3° |
| C18 | C13 | C1 | 116.4° | 119.3° |
| C18 | C4 | O20 | 118.9° | 120.8° |
| C13 | C1 | O19 | 119.0° | 120.7° |
| C22 | C23 | C24 | 120.0° | 118.5° |
| C22 | C23 | O40 | 123.1° | 120.8° |
| C23 | C22 | H7 | 106.3° | 109.5° |
| C34 | C25 | C24 | 119.3° | 119.7° |
| C25 | C34 | C35 | 119.6° | 119.7° |
| C25 | C34 | H4 | 120.2° | 120.2° |
| C25 | C24 | C23 | 119.3° | 119.3° |
| C25 | C24 | C37 | 118.8° | 119.8° |
| C34 | C35 | C36 | 121.2° | 120.6° |
| C34 | C35 | H3 | 119.4° | 119.7° |
| C35 | C34 | H4 | 120.2° | 120.2° |
| C24 | C23 | O40 | 116.9° | 120.7° |
| C23 | C24 | C37 | 122.0° | 120.9° |
| C24 | C37 | C36 | 119.7° | 119.7° |
| C24 | C37 | H1 | 120.1° | 120.2° |
| C35 | C36 | C37 | 121.4° | 120.6° |
| C35 | C36 | H2 | 119.3° | 119.7° |
| C36 | C35 | H3 | 119.4° | 119.7° |
| C36 | C37 | H1 | 120.1° | 120.1° |
| C37 | C36 | H2 | 119.3° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C27 | C26 | O38 | 12.0° | 106.3° |
| O41 | C27 | C26 | C22 | 128.3° | 119.8° |
| O41 | C27 | C26 | H5 | 116.1° | 120.7° |
| O41 | C27 | C22 | H5 | 116.9° | 120.7° |
| O41 | C27 | C26 | C25 | 169.7° | 73.7° |
| O41 | C27 | C22 | C6 | 51.5° | 178.6° |
| O41 | C27 | C22 | C23 | 177.2° | 61.4° |
| O41 | C27 | C22 | H7 | 62.0° | 58.0° |
| O38 | C26 | C27 | C25 | 178.4° | 180.0° |
| O38 | C26 | C27 | C22 | 140.3° | 133.9° |
| O38 | C26 | C25 | C34 | 16.1° | 16.4° |
| O38 | C26 | C25 | C24 | 166.4° | 163.6° |
| O38 | C26 | C27 | H5 | 104.1° | 14.4° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 2.6° | 0.1° |
| C16 | C15 | C14 | C13 | 0.5° | 0.1° |
| C15 | C16 | C17 | H10 | 177.4° | 179.9° |
| C16 | C15 | C14 | H13 | 179.4° | 180.0° |
| C17 | C16 | C15 | C14 | 1.5° | 0.1° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 1.8° | 0.1° |
| C16 | C17 | C18 | C4 | 178.9° | 179.9° |
| C17 | C16 | C15 | H12 | 178.5° | 180.0° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 1.3° | 0.2° |
| C15 | C14 | C13 | C1 | 179.4° | 179.8° |
| C14 | C15 | C16 | H11 | 178.6° | 180.0° |
| C26 | C27 | C22 | H5 | 115.7° | 119.6° |
| C26 | C27 | C22 | C6 | 178.9° | 61.7° |
| C26 | C27 | C22 | C23 | 49.9° | 58.2° |
| C27 | C26 | C25 | C34 | 162.2° | 163.6° |
| C27 | C26 | C25 | C24 | 15.2° | 16.4° |
| C26 | C27 | O41 | H6 | 5.2° | 60.1° |
| C26 | C27 | C22 | H7 | 65.4° | 177.7° |
| C27 | C22 | C6 | C5 | 144.7° | 86.8° |
| C22 | C27 | C26 | C25 | 41.4° | 46.1° |
| C27 | C22 | C6 | C23 | 127.5° | 119.0° |
| C27 | C22 | C6 | H7 | 113.6° | 120.5° |
| C27 | C22 | C6 | C1 | 81.8° | 154.1° |
| C27 | C22 | C23 | H7 | 115.2° | 119.5° |
| C27 | C22 | C23 | C24 | 35.9° | 46.4° |
| C27 | C22 | C23 | O40 | 146.3° | 134.0° |
| C22 | C27 | O41 | H6 | 133.6° | 179.0° |
| C27 | C22 | C6 | H8 | 33.8° | 33.8° |
| C17 | C18 | C13 | C14 | 0.1° | 0.2° |
| C17 | C18 | C4 | C5 | 141.1° | 163.4° |
| C17 | C18 | C13 | C4 | 177.3° | 179.9° |
| C17 | C18 | C13 | C1 | 178.4° | 179.8° |
| C17 | C18 | C4 | O20 | 37.1° | 16.5° |
| C18 | C17 | C16 | H11 | 177.4° | 180.0° |
| C14 | C13 | C1 | C6 | 136.1° | 163.7° |
| C14 | C13 | C18 | C1 | 178.3° | 180.0° |
| C14 | C13 | C18 | C4 | 177.2° | 179.9° |
| C14 | C13 | C1 | O19 | 41.7° | 16.3° |
| C13 | C14 | C15 | H12 | 179.5° | 180.0° |
| C6 | C5 | C4 | BR | 126.6° | 119.7° |
| C6 | C5 | C4 | H9 | 121.2° | 119.7° |
| C6 | C5 | BR | H9 | 116.5° | 120.5° |
| C5 | C6 | C22 | C1 | 133.6° | 119.0° |
| C5 | C6 | C22 | H8 | 110.9° | 120.6° |
| C5 | C6 | C1 | H8 | 110.8° | 119.9° |
| C6 | C5 | C4 | C18 | 32.6° | 46.0° |
| C5 | C6 | C1 | C13 | 43.4° | 46.0° |
| C6 | C5 | C4 | O20 | 149.2° | 134.0° |
| C5 | C6 | C22 | C23 | 87.8° | 154.2° |
| C5 | C6 | C1 | O19 | 138.8° | 134.1° |
| C5 | C6 | C22 | H7 | 31.1° | 33.6° |
| C4 | C5 | BR | H9 | 115.4° | 120.5° |
| C4 | C5 | C6 | C22 | 144.6° | 61.7° |
| C4 | C5 | C6 | C1 | 6.7° | 58.0° |
| C5 | C4 | C18 | C13 | 36.1° | 16.5° |
| C5 | C4 | C18 | O20 | 178.2° | 179.9° |
| C4 | C5 | C6 | H8 | 104.4° | 177.8° |
| BR | C5 | C6 | C22 | 20.3° | 57.9° |
| BR | C5 | C6 | C1 | 117.6° | 177.7° |
| BR | C5 | C4 | C18 | 159.2° | 165.7° |
| BR | C5 | C4 | O20 | 22.6° | 14.3° |
| BR | C5 | C6 | H8 | 131.3° | 62.5° |
| C26 | C25 | C34 | C24 | 177.4° | 180.0° |
| C26 | C25 | C34 | C35 | 178.4° | 179.9° |
| C26 | C25 | C24 | C23 | 0.8° | 0.1° |
| C26 | C25 | C24 | C37 | 178.4° | 179.9° |
| C26 | C25 | C34 | H4 | 1.6° | 0.0° |
| C25 | C26 | C27 | H5 | 74.2° | 165.6° |
| C22 | C6 | C1 | H8 | 115.3° | 120.3° |
| C22 | C6 | C1 | C13 | 177.3° | 73.8° |
| C6 | C22 | C23 | H7 | 118.7° | 120.7° |
| C22 | C6 | C1 | O19 | 4.9° | 106.2° |
| C6 | C22 | C23 | C24 | 162.1° | 73.4° |
| C6 | C22 | C23 | O40 | 20.2° | 106.2° |
| C6 | C22 | C27 | H5 | 65.4° | 57.8° |
| C22 | C6 | C5 | H9 | 93.9° | 178.6° |
| C6 | C1 | C13 | C18 | 42.0° | 16.4° |
| C6 | C1 | C13 | O19 | 177.8° | 180.0° |
| C1 | C6 | C22 | C23 | 45.8° | 35.1° |
| C1 | C6 | C22 | H7 | 164.6° | 85.4° |
| C1 | C6 | C5 | H9 | 128.3° | 61.7° |
| C13 | C18 | C4 | O20 | 145.7° | 163.6° |
| C18 | C13 | C1 | O19 | 140.1° | 163.7° |
| C13 | C18 | C17 | H10 | 178.1° | 180.0° |
| C18 | C13 | C14 | H13 | 178.7° | 180.0° |
| C4 | C18 | C13 | C1 | 1.1° | 0.1° |
| C18 | C4 | C5 | H9 | 88.5° | 73.6° |
| C4 | C18 | C17 | H10 | 1.1° | 0.1° |
| C13 | C1 | C6 | H8 | 67.4° | 165.9° |
| C1 | C13 | C14 | H13 | 0.6° | 0.1° |
| O20 | C4 | C5 | H9 | 89.6° | 106.3° |
| C22 | C23 | C24 | C25 | 10.7° | 16.7° |
| C22 | C23 | C24 | O40 | 177.9° | 179.6° |
| C22 | C23 | C24 | C37 | 170.1° | 163.3° |
| C23 | C22 | C27 | H5 | 65.9° | 177.8° |
| C23 | C22 | C6 | H8 | 161.3° | 85.2° |
| O19 | C1 | C6 | H8 | 110.4° | 14.1° |
| C25 | C34 | C35 | H4 | 180.0° | 180.0° |
| C34 | C25 | C24 | C23 | 178.3° | 179.9° |
| C34 | C25 | C24 | C37 | 0.9° | 0.0° |
| C25 | C34 | C35 | C36 | 0.5° | 0.0° |
| C25 | C34 | C35 | H3 | 179.5° | 180.0° |
| C24 | C25 | C34 | C35 | 0.9° | 0.0° |
| C25 | C24 | C23 | C37 | 179.2° | 179.9° |
| C25 | C24 | C23 | O40 | 171.4° | 163.6° |
| C25 | C24 | C37 | C36 | 0.3° | 0.0° |
| C25 | C24 | C37 | H1 | 179.7° | 179.9° |
| C24 | C25 | C34 | H4 | 179.1° | 180.0° |
| C34 | C35 | C36 | H3 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C34 | C35 | C36 | H2 | 179.9° | 180.0° |
| C23 | C24 | C37 | C36 | 178.8° | 179.9° |
| C23 | C24 | C37 | H1 | 1.2° | 0.0° |
| C24 | C23 | C22 | H7 | 79.2° | 165.9° |
| O40 | C23 | C24 | C37 | 7.8° | 16.3° |
| O40 | C23 | C22 | H7 | 98.5° | 14.5° |
| C24 | C37 | C36 | C35 | 0.1° | 0.0° |
| C24 | C37 | C36 | H1 | 180.0° | 179.9° |
| C24 | C37 | C36 | H2 | 179.9° | 180.0° |
| C35 | C36 | C37 | H2 | 180.0° | 179.9° |
| C35 | C36 | C37 | H1 | 179.9° | 179.9° |
| C36 | C35 | C34 | H4 | 179.5° | 180.0° |
| C37 | C36 | C35 | H3 | 179.9° | 180.0° |
| H1 | C37 | C36 | H2 | 0.1° | 0.1° |
| H2 | C36 | C35 | H3 | 0.1° | 0.0° |
| H3 | C35 | C34 | H4 | 0.5° | 0.0° |
| H5 | C27 | O41 | H6 | 110.3° | 60.5° |
| H5 | C27 | C22 | H7 | 178.9° | 62.7° |
| H7 | C22 | C6 | H8 | 79.8° | 154.3° |
| H8 | C6 | C5 | H9 | 17.1° | 58.1° |
| H10 | C17 | C16 | H11 | 2.6° | 0.2° |
| H11 | C16 | C15 | H12 | 1.4° | 0.1° |
| H12 | C15 | C14 | H13 | 0.6° | 0.1° |
