EI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | O3 | sing | 1.45Å | 1.44Å | |
| O3 | C16 | sing | 1.34Å | 1.44Å | |
| C15 | O | sing | 1.45Å | 1.43Å | |
| O | C14 | sing | 1.34Å | 1.45Å | |
| C16 | O2 | doub | 1.21Å | 1.22Å | |
| C16 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C7 | C4 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C4 | sing | 1.51Å | 1.51Å | |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O4 | doub | 1.21Å | 1.23Å | |
| C1 | C6 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C17 | C18 | 110.6° | 109.4° |
| C20 | C17 | C19 | 109.9° | 109.5° |
| C20 | C17 | O3 | 103.6° | 109.5° |
| C17 | C20 | H24 | 109.5° | 109.5° |
| C17 | C20 | H25 | 109.5° | 109.5° |
| C17 | C20 | H26 | 109.5° | 109.5° |
| C18 | C17 | C19 | 108.8° | 109.5° |
| C18 | C17 | O3 | 113.0° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.4° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.4° | 109.5° |
| C19 | C17 | O3 | 110.9° | 109.5° |
| C17 | C19 | H21 | 109.5° | 109.4° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C17 | C19 | H23 | 109.4° | 109.4° |
| C17 | O3 | C16 | 123.3° | 117.0° |
| O3 | C16 | O2 | 120.5° | 120.0° |
| O3 | C16 | C2 | 118.7° | 120.0° |
| C15 | O | C14 | 118.0° | 117.0° |
| O | C15 | H3 | 109.5° | 109.5° |
| O | C15 | H4 | 109.4° | 109.5° |
| O | C15 | H5 | 109.5° | 109.5° |
| O | C14 | C4 | 120.9° | 120.0° |
| O | C14 | O1 | 117.5° | 120.0° |
| O2 | C16 | C2 | 120.8° | 120.0° |
| C16 | C2 | C3 | 110.5° | 109.6° |
| C16 | C2 | C1 | 111.3° | 109.6° |
| C16 | C2 | H17 | 105.7° | 109.6° |
| C2 | C3 | C4 | 115.2° | 109.4° |
| C3 | C2 | C1 | 117.5° | 108.6° |
| C2 | C3 | H6 | 108.0° | 109.5° |
| C2 | C3 | H7 | 108.0° | 109.4° |
| C3 | C2 | H17 | 105.3° | 109.6° |
| C3 | C4 | C7 | 109.1° | 109.4° |
| C3 | C4 | C14 | 109.0° | 109.4° |
| C3 | C4 | C5 | 110.1° | 109.9° |
| C4 | C3 | H6 | 108.0° | 109.5° |
| C4 | C3 | H7 | 108.0° | 109.4° |
| C4 | C7 | C8 | 112.9° | 109.5° |
| C7 | C4 | C14 | 109.8° | 109.4° |
| C7 | C4 | C5 | 113.3° | 109.3° |
| C4 | C7 | H8 | 108.6° | 109.4° |
| C4 | C7 | H9 | 108.6° | 109.4° |
| C7 | C8 | C9 | 122.2° | 120.0° |
| C7 | C8 | C13 | 119.5° | 120.0° |
| C8 | C7 | H8 | 108.6° | 109.5° |
| C8 | C7 | H9 | 108.6° | 109.5° |
| C2 | C1 | O4 | 118.4° | 120.8° |
| C2 | C1 | C6 | 121.9° | 118.3° |
| C1 | C2 | H17 | 105.6° | 109.8° |
| C8 | C9 | C10 | 121.5° | 120.0° |
| C9 | C8 | C13 | 118.3° | 120.0° |
| C8 | C9 | H10 | 119.3° | 120.0° |
| C9 | C10 | C11 | 119.6° | 120.0° |
| C10 | C9 | H10 | 119.3° | 120.0° |
| C9 | C10 | H11 | 120.2° | 120.0° |
| C4 | C14 | O1 | 121.6° | 120.0° |
| C14 | C4 | C5 | 105.4° | 109.4° |
| C4 | C5 | C6 | 110.6° | 109.4° |
| C4 | C5 | H13 | 109.2° | 109.5° |
| C4 | C5 | H14 | 109.2° | 109.5° |
| C8 | C13 | C12 | 120.6° | 120.0° |
| C8 | C13 | H1 | 119.8° | 120.0° |
| C10 | C11 | C12 | 119.1° | 120.0° |
| C11 | C10 | H11 | 120.2° | 120.0° |
| C10 | C11 | H12 | 120.4° | 120.0° |
| O4 | C1 | C6 | 119.7° | 120.9° |
| C1 | C6 | C5 | 110.9° | 108.6° |
| C1 | C6 | H15 | 109.1° | 109.6° |
| C1 | C6 | H16 | 109.1° | 109.8° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C12 | C13 | H1 | 119.7° | 120.0° |
| C13 | C12 | H2 | 119.5° | 120.0° |
| C11 | C12 | H2 | 119.5° | 120.0° |
| C12 | C11 | H12 | 120.4° | 120.0° |
| C6 | C5 | H13 | 109.2° | 109.5° |
| C6 | C5 | H14 | 109.2° | 109.4° |
| C5 | C6 | H15 | 109.1° | 109.6° |
| C5 | C6 | H16 | 109.1° | 109.7° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.4° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.6° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H24 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C17 | C18 | C19 | 120.8° | 120.0° |
| C20 | C17 | C18 | O3 | 115.6° | 120.0° |
| C20 | C17 | C19 | O3 | 113.9° | 120.0° |
| C20 | C17 | O3 | C16 | 174.3° | 60.1° |
| C20 | C17 | C18 | H18 | 180.0° | 180.0° |
| C20 | C17 | C18 | H19 | 60.0° | 60.0° |
| C20 | C17 | C18 | H20 | 60.0° | 60.1° |
| C20 | C17 | C19 | H21 | 180.0° | 180.0° |
| C20 | C17 | C19 | H22 | 60.0° | 60.0° |
| C20 | C17 | C19 | H23 | 60.0° | 60.0° |
| C17 | C20 | H24 | H25 | 120.0° | 120.0° |
| C17 | C20 | H24 | H26 | 120.0° | 120.0° |
| C17 | C20 | H25 | H26 | 120.0° | 120.0° |
| C18 | C17 | C19 | O3 | 124.9° | 120.0° |
| C18 | C17 | O3 | C16 | 54.6° | 180.0° |
| C17 | C18 | H18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H18 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H20 | 120.0° | 120.1° |
| C18 | C17 | C19 | H21 | 58.8° | 60.1° |
| C18 | C17 | C19 | H22 | 178.8° | 60.0° |
| C18 | C17 | C19 | H23 | 61.2° | 180.0° |
| C18 | C17 | C20 | H24 | 180.0° | 60.0° |
| C18 | C17 | C20 | H25 | 60.0° | 60.0° |
| C18 | C17 | C20 | H26 | 60.0° | 180.0° |
| C19 | C17 | O3 | C16 | 67.9° | 60.0° |
| C19 | C17 | C18 | H18 | 59.2° | 60.0° |
| C19 | C17 | C18 | H19 | 60.8° | 180.0° |
| C19 | C17 | C18 | H20 | 179.2° | 59.9° |
| C17 | C19 | H21 | H22 | 120.0° | 120.0° |
| C17 | C19 | H21 | H23 | 120.0° | 119.9° |
| C17 | C19 | H22 | H23 | 120.0° | 120.0° |
| C19 | C17 | C20 | H24 | 59.9° | 60.0° |
| C19 | C17 | C20 | H25 | 179.9° | 180.0° |
| C19 | C17 | C20 | H26 | 60.1° | 60.0° |
| C17 | O3 | C16 | O2 | 14.1° | 0.1° |
| C17 | O3 | C16 | C2 | 164.5° | 180.0° |
| O3 | C17 | C18 | H18 | 64.4° | 60.1° |
| O3 | C17 | C18 | H19 | 175.6° | 59.9° |
| O3 | C17 | C18 | H20 | 55.6° | 180.0° |
| O3 | C17 | C19 | H21 | 66.1° | 60.0° |
| O3 | C17 | C19 | H22 | 53.9° | 180.0° |
| O3 | C17 | C19 | H23 | 173.9° | 60.0° |
| O3 | C17 | C20 | H24 | 58.6° | 180.0° |
| O3 | C17 | C20 | H25 | 61.4° | 60.0° |
| O3 | C17 | C20 | H26 | 178.6° | 60.0° |
| O3 | C16 | O2 | C2 | 178.6° | 180.0° |
| O3 | C16 | C2 | C3 | 21.5° | 179.9° |
| O3 | C16 | C2 | C1 | 153.9° | 61.0° |
| O3 | C16 | C2 | H17 | 91.9° | 59.6° |
| C15 | O | C14 | C4 | 149.7° | 180.0° |
| C15 | O | C14 | O1 | 30.7° | 0.3° |
| O | C15 | H3 | H4 | 120.0° | 120.1° |
| O | C15 | H3 | H5 | 120.0° | 120.0° |
| O | C15 | H4 | H5 | 120.0° | 120.1° |
| O | C14 | C4 | C3 | 74.6° | 179.7° |
| O | C14 | C4 | C7 | 44.9° | 59.9° |
| O | C14 | C4 | O1 | 179.7° | 179.8° |
| O | C14 | C4 | C5 | 167.3° | 59.9° |
| C14 | O | C15 | H3 | 180.0° | 60.0° |
| C14 | O | C15 | H4 | 60.0° | 60.0° |
| C14 | O | C15 | H5 | 60.0° | 179.9° |
| O2 | C16 | C2 | C3 | 159.9° | 0.0° |
| O2 | C16 | C2 | C1 | 27.4° | 119.0° |
| O2 | C16 | C2 | H17 | 86.7° | 120.4° |
| C16 | C2 | C3 | C1 | 129.2° | 119.8° |
| C16 | C2 | C3 | H17 | 113.7° | 120.3° |
| C16 | C2 | C3 | C4 | 127.8° | 174.3° |
| C16 | C2 | C1 | H17 | 114.2° | 120.5° |
| C16 | C2 | C1 | O4 | 38.4° | 8.9° |
| C16 | C2 | C1 | C6 | 142.6° | 171.1° |
| C16 | C2 | C3 | H6 | 7.0° | 65.6° |
| C16 | C2 | C3 | H7 | 111.3° | 54.4° |
| C2 | C3 | C4 | H6 | 120.8° | 120.0° |
| C2 | C3 | C4 | H7 | 120.8° | 119.9° |
| C2 | C3 | C4 | C7 | 84.5° | 176.4° |
| C3 | C2 | C1 | H17 | 117.0° | 119.8° |
| C2 | C3 | C4 | C14 | 155.6° | 56.6° |
| C2 | C3 | C4 | C5 | 40.4° | 63.6° |
| C3 | C2 | C1 | O4 | 167.2° | 128.7° |
| C3 | C2 | C1 | C6 | 13.8° | 51.3° |
| C2 | C3 | H6 | H7 | 117.4° | 120.0° |
| C3 | C4 | C7 | C14 | 119.5° | 119.8° |
| C3 | C4 | C7 | C5 | 123.0° | 120.4° |
| C3 | C4 | C7 | C8 | 177.0° | 179.8° |
| C4 | C3 | C2 | C1 | 1.3° | 54.6° |
| C3 | C4 | C14 | C5 | 118.2° | 120.4° |
| C3 | C4 | C14 | O1 | 105.8° | 0.0° |
| C3 | C4 | C5 | C6 | 68.2° | 63.6° |
| C4 | C3 | H6 | H7 | 117.4° | 120.0° |
| C3 | C4 | C7 | H8 | 62.4° | 60.2° |
| C3 | C4 | C7 | H9 | 56.5° | 59.8° |
| C3 | C4 | C5 | H13 | 171.6° | 56.3° |
| C3 | C4 | C5 | H14 | 52.0° | 176.5° |
| C4 | C3 | C2 | H17 | 118.5° | 65.3° |
| C4 | C7 | C8 | H8 | 120.5° | 120.0° |
| C4 | C7 | C8 | H9 | 120.5° | 120.0° |
| C4 | C7 | C8 | C9 | 79.7° | 90.0° |
| C7 | C4 | C14 | C5 | 122.3° | 119.8° |
| C7 | C4 | C14 | O1 | 134.7° | 119.9° |
| C4 | C7 | C8 | C13 | 100.7° | 90.0° |
| C7 | C4 | C5 | C6 | 54.3° | 176.3° |
| C7 | C4 | C3 | H6 | 36.4° | 56.4° |
| C7 | C4 | C3 | H7 | 154.7° | 63.7° |
| C4 | C7 | H8 | H9 | 118.5° | 120.0° |
| C7 | C4 | C5 | H13 | 65.9° | 63.7° |
| C7 | C4 | C5 | H14 | 174.5° | 56.4° |
| C7 | C8 | C9 | C13 | 179.6° | 180.0° |
| C7 | C8 | C9 | C10 | 179.3° | 180.0° |
| C8 | C7 | C4 | C14 | 57.6° | 60.0° |
| C8 | C7 | C4 | C5 | 60.0° | 59.8° |
| C7 | C8 | C13 | C12 | 179.6° | 180.0° |
| C7 | C8 | C13 | H1 | 0.4° | 0.2° |
| C8 | C7 | H8 | H9 | 118.4° | 120.1° |
| C7 | C8 | C9 | H10 | 0.7° | 0.0° |
| C2 | C1 | O4 | C6 | 179.0° | 180.0° |
| C2 | C1 | C6 | C5 | 11.9° | 51.4° |
| C1 | C2 | C3 | H6 | 122.2° | 174.6° |
| C1 | C2 | C3 | H7 | 119.5° | 65.3° |
| C2 | C1 | C6 | H15 | 132.1° | 171.0° |
| C2 | C1 | C6 | H16 | 108.3° | 68.5° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.1° | 0.3° |
| C9 | C8 | C13 | C12 | 0.8° | 0.0° |
| C9 | C8 | C13 | H1 | 179.2° | 179.8° |
| C9 | C8 | C7 | H8 | 159.8° | 150.1° |
| C9 | C8 | C7 | H9 | 40.9° | 30.0° |
| C8 | C9 | C10 | H11 | 178.9° | 179.9° |
| C10 | C9 | C8 | C13 | 1.1° | 0.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.8° | 0.5° |
| C9 | C10 | C11 | H12 | 179.2° | 180.0° |
| C14 | C4 | C5 | C6 | 174.4° | 56.5° |
| C14 | C4 | C3 | H6 | 83.6° | 63.5° |
| C14 | C4 | C3 | H7 | 34.7° | 176.5° |
| C14 | C4 | C7 | H8 | 178.1° | 180.0° |
| C14 | C4 | C7 | H9 | 62.9° | 60.0° |
| C14 | C4 | C5 | H13 | 54.2° | 176.5° |
| C14 | C4 | C5 | H14 | 65.4° | 63.4° |
| O1 | C14 | C4 | C5 | 12.4° | 120.4° |
| C4 | C5 | C6 | C1 | 52.2° | 54.6° |
| C4 | C5 | C6 | H13 | 120.2° | 119.9° |
| C4 | C5 | C6 | H14 | 120.2° | 120.0° |
| C5 | C4 | C3 | H6 | 161.2° | 176.4° |
| C5 | C4 | C3 | H7 | 80.4° | 56.3° |
| C5 | C4 | C7 | H8 | 60.6° | 60.2° |
| C5 | C4 | C7 | H9 | 179.5° | 179.8° |
| C4 | C5 | H13 | H14 | 119.4° | 120.1° |
| C4 | C5 | C6 | H15 | 172.4° | 174.3° |
| C4 | C5 | C6 | H16 | 68.0° | 65.3° |
| C8 | C13 | C12 | H1 | 180.0° | 179.8° |
| C8 | C13 | C12 | C11 | 0.5° | 0.3° |
| C8 | C13 | C12 | H2 | 179.5° | 179.8° |
| C13 | C8 | C7 | H8 | 19.8° | 29.9° |
| C13 | C8 | C7 | H9 | 138.8° | 150.0° |
| C13 | C8 | C9 | H10 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.5° |
| C10 | C11 | C12 | H12 | 180.0° | 179.5° |
| C10 | C11 | C12 | H2 | 179.5° | 179.5° |
| C11 | C10 | C9 | H10 | 178.9° | 179.7° |
| O4 | C1 | C6 | C5 | 167.1° | 128.6° |
| O4 | C1 | C6 | H15 | 46.9° | 8.9° |
| O4 | C1 | C6 | H16 | 72.7° | 111.5° |
| O4 | C1 | C2 | H17 | 75.8° | 111.6° |
| C1 | C6 | C5 | H15 | 120.2° | 119.7° |
| C1 | C6 | C5 | H16 | 120.2° | 120.0° |
| C1 | C6 | C5 | H13 | 172.4° | 65.3° |
| C1 | C6 | C5 | H14 | 67.9° | 174.7° |
| C1 | C6 | H15 | H16 | 119.3° | 120.5° |
| C6 | C1 | C2 | H17 | 103.2° | 68.5° |
| C13 | C12 | C11 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | H12 | 179.5° | 180.0° |
| C11 | C12 | C13 | H1 | 179.5° | 179.9° |
| C12 | C11 | C10 | H11 | 179.2° | 179.7° |
| C6 | C5 | H13 | H14 | 119.5° | 120.0° |
| C5 | C6 | H15 | H16 | 119.3° | 120.4° |
| H1 | C13 | C12 | H2 | 0.5° | 0.0° |
| H2 | C12 | C11 | H12 | 0.5° | 0.1° |
| H3 | C15 | H4 | H5 | 120.0° | 119.9° |
| H6 | C3 | C2 | H17 | 120.7° | 54.7° |
| H7 | C3 | C2 | H17 | 2.4° | 174.8° |
| H10 | C9 | C10 | H11 | 1.1° | 0.1° |
| H11 | C10 | C11 | H12 | 0.8° | 0.2° |
| H13 | C5 | C6 | H15 | 67.4° | 54.4° |
| H13 | C5 | C6 | H16 | 52.2° | 174.7° |
| H14 | C5 | C6 | H15 | 52.3° | 65.7° |
| H14 | C5 | C6 | H16 | 171.8° | 54.7° |
| H18 | C18 | H19 | H20 | 120.0° | 119.9° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
