A1EP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | O03 | sing | 1.43Å | 1.40Å | |
| O03 | C17 | sing | 1.36Å | 1.41Å | |
| C16 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C16 | C12 | sing | 1.39Å | 1.52Å | Aromatic |
| C17 | C14 | sing | 1.39Å | 1.55Å | Aromatic |
| C12 | C07 | doub | 1.38Å | 1.56Å | Aromatic |
| C14 | C10 | doub | 1.39Å | 1.55Å | Aromatic |
| C08 | O02 | sing | 1.43Å | 1.39Å | |
| C08 | C05 | sing | 1.53Å | 1.58Å | |
| C07 | C10 | sing | 1.40Å | 1.48Å | Aromatic |
| C07 | C05 | sing | 1.51Å | 1.25Å | |
| C10 | O01 | sing | 1.35Å | 1.59Å | |
| O02 | C11 | sing | 1.36Å | 1.71Å | |
| C05 | C06 | sing | 1.54Å | 1.69Å | |
| O01 | C06 | sing | 1.44Å | 1.27Å | |
| C11 | C15 | doub | 1.39Å | 1.51Å | Aromatic |
| C11 | C09 | sing | 1.39Å | 1.61Å | Aromatic |
| C15 | C19 | sing | 1.39Å | 1.54Å | Aromatic |
| C06 | C09 | sing | 1.50Å | 1.56Å | |
| C09 | C13 | doub | 1.39Å | 1.54Å | Aromatic |
| C19 | O04 | sing | 1.36Å | 1.43Å | |
| C19 | C18 | doub | 1.39Å | 1.59Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.58Å | Aromatic |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| O04 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | O03 | C17 | 115.0° | 117.0° |
| O03 | C20 | H11 | 109.5° | 109.4° |
| O03 | C20 | H12 | 109.5° | 109.5° |
| O03 | C20 | H13 | 109.5° | 109.4° |
| O03 | C17 | C16 | 118.7° | 119.1° |
| O03 | C17 | C14 | 121.3° | 119.0° |
| C17 | C16 | C12 | 118.3° | 121.2° |
| C16 | C17 | C14 | 120.0° | 121.9° |
| C17 | C16 | H9 | 120.8° | 119.4° |
| C16 | C12 | C07 | 120.9° | 117.0° |
| C16 | C12 | H5 | 119.5° | 121.5° |
| C12 | C16 | H9 | 120.8° | 119.4° |
| C17 | C14 | C10 | 121.2° | 117.2° |
| C17 | C14 | H7 | 119.4° | 121.4° |
| C12 | C07 | C10 | 121.4° | 122.4° |
| C12 | C07 | C05 | 131.2° | 130.5° |
| C07 | C12 | H5 | 119.6° | 121.5° |
| C14 | C10 | C07 | 118.2° | 120.1° |
| C14 | C10 | O01 | 135.9° | 128.5° |
| C10 | C14 | H7 | 119.4° | 121.4° |
| O02 | C08 | C05 | 109.7° | 109.0° |
| C08 | O02 | C11 | 112.9° | 114.5° |
| O02 | C08 | H3 | 109.4° | 109.5° |
| O02 | C08 | H4 | 109.4° | 109.6° |
| C08 | C05 | C07 | 101.9° | 110.0° |
| C08 | C05 | C06 | 111.9° | 110.5° |
| C08 | C05 | H1 | 109.3° | 111.3° |
| C05 | C08 | H3 | 109.4° | 109.5° |
| C05 | C08 | H4 | 109.4° | 109.6° |
| C10 | C07 | C05 | 107.1° | 107.1° |
| C07 | C10 | O01 | 106.0° | 111.3° |
| C07 | C05 | C06 | 111.2° | 101.7° |
| C07 | C05 | H1 | 114.6° | 111.5° |
| C10 | O01 | C06 | 108.8° | 108.9° |
| O02 | C11 | C15 | 118.0° | 119.3° |
| O02 | C11 | C09 | 117.8° | 120.2° |
| C05 | C06 | O01 | 101.8° | 103.6° |
| C05 | C06 | C09 | 118.4° | 112.9° |
| C06 | C05 | H1 | 108.0° | 111.4° |
| C05 | C06 | H2 | 107.2° | 109.8° |
| O01 | C06 | C09 | 107.7° | 110.4° |
| O01 | C06 | H2 | 113.1° | 110.2° |
| C15 | C11 | C09 | 124.3° | 120.5° |
| C11 | C15 | C19 | 122.6° | 120.0° |
| C11 | C15 | H8 | 118.7° | 120.0° |
| C11 | C09 | C06 | 115.5° | 122.3° |
| C11 | C09 | C13 | 113.5° | 119.1° |
| C15 | C19 | O04 | 117.1° | 120.2° |
| C15 | C19 | C18 | 115.1° | 119.6° |
| C19 | C15 | H8 | 118.7° | 120.0° |
| C06 | C09 | C13 | 131.1° | 118.6° |
| C09 | C06 | H2 | 108.6° | 109.9° |
| C09 | C13 | C18 | 122.7° | 120.6° |
| C09 | C13 | H6 | 118.6° | 119.7° |
| O04 | C19 | C18 | 127.8° | 120.2° |
| C19 | O04 | H14 | 109.5° | 114.0° |
| C19 | C18 | C13 | 121.8° | 120.2° |
| C19 | C18 | H10 | 119.1° | 119.9° |
| C18 | C13 | H6 | 118.6° | 119.7° |
| C13 | C18 | H10 | 119.1° | 119.9° |
| H3 | C08 | H4 | 109.5° | 109.6° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H11 | C20 | H13 | 109.5° | 109.4° |
| H12 | C20 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | O03 | C17 | C16 | 8.2° | 0.0° |
| C20 | O03 | C17 | C14 | 171.6° | 179.9° |
| O03 | C20 | H11 | H12 | 120.0° | 120.0° |
| O03 | C20 | H11 | H13 | 120.0° | 119.9° |
| O03 | C20 | H12 | H13 | 120.0° | 120.0° |
| O03 | C17 | C16 | C14 | 179.8° | 179.9° |
| O03 | C17 | C16 | C12 | 179.8° | 179.9° |
| O03 | C17 | C14 | C10 | 179.8° | 180.0° |
| O03 | C17 | C14 | H7 | 0.2° | 0.1° |
| O03 | C17 | C16 | H9 | 0.2° | 0.0° |
| C17 | O03 | C20 | H11 | 180.0° | 60.1° |
| C17 | O03 | C20 | H12 | 60.0° | 60.0° |
| C17 | O03 | C20 | H13 | 60.0° | 180.0° |
| C17 | C16 | C12 | H9 | 180.0° | 180.0° |
| C17 | C16 | C12 | C07 | 1.4° | 0.1° |
| C16 | C17 | C14 | C10 | 0.0° | 0.0° |
| C17 | C16 | C12 | H5 | 178.6° | 180.0° |
| C16 | C17 | C14 | H7 | 180.0° | 180.0° |
| C12 | C16 | C17 | C14 | 0.0° | 0.1° |
| C16 | C12 | C07 | H5 | 180.0° | 179.9° |
| C16 | C12 | C07 | C10 | 2.9° | 0.1° |
| C16 | C12 | C07 | C05 | 175.6° | 179.8° |
| C17 | C14 | C10 | H7 | 180.0° | 180.0° |
| C17 | C14 | C10 | C07 | 1.4° | 0.1° |
| C17 | C14 | C10 | O01 | 179.7° | 179.7° |
| C14 | C17 | C16 | H9 | 179.9° | 179.9° |
| C12 | C07 | C10 | C14 | 2.8° | 0.2° |
| C12 | C07 | C05 | C08 | 69.6° | 78.4° |
| C12 | C07 | C10 | C05 | 174.3° | 179.9° |
| C12 | C07 | C10 | O01 | 178.1° | 179.7° |
| C12 | C07 | C05 | C06 | 171.0° | 164.4° |
| C12 | C07 | C05 | H1 | 48.2° | 45.6° |
| C07 | C12 | C16 | H9 | 178.6° | 180.0° |
| C14 | C10 | C07 | O01 | 179.2° | 179.8° |
| C14 | C10 | C07 | C05 | 177.1° | 179.8° |
| C14 | C10 | O01 | C06 | 165.8° | 162.3° |
| O02 | C08 | C05 | H3 | 120.1° | 119.8° |
| O02 | C08 | C05 | H4 | 120.0° | 119.9° |
| O02 | C08 | C05 | C07 | 178.3° | 169.2° |
| O02 | C08 | C05 | C06 | 62.8° | 57.7° |
| C08 | O02 | C11 | C15 | 146.7° | 148.3° |
| C08 | O02 | C11 | C09 | 33.7° | 32.7° |
| O02 | C08 | C05 | H1 | 56.7° | 66.7° |
| O02 | C08 | H3 | H4 | 119.9° | 120.3° |
| C08 | C05 | C07 | C10 | 103.9° | 101.7° |
| C08 | C05 | C07 | C06 | 119.4° | 117.2° |
| C08 | C05 | C07 | H1 | 117.8° | 124.0° |
| C05 | C08 | O02 | C11 | 63.8° | 61.4° |
| C08 | C05 | C06 | H1 | 120.3° | 124.3° |
| C08 | C05 | C06 | O01 | 88.8° | 91.8° |
| C08 | C05 | C06 | C09 | 29.0° | 27.6° |
| C08 | C05 | C06 | H2 | 152.2° | 150.5° |
| C05 | C08 | H3 | H4 | 119.9° | 120.2° |
| C10 | C07 | C05 | C06 | 15.5° | 15.5° |
| C07 | C10 | O01 | C06 | 13.2° | 17.9° |
| C10 | C07 | C05 | H1 | 138.3° | 134.4° |
| C10 | C07 | C12 | H5 | 177.1° | 179.8° |
| C07 | C10 | C14 | H7 | 178.6° | 179.9° |
| C05 | C07 | C10 | O01 | 3.8° | 0.4° |
| C07 | C05 | C06 | H1 | 126.5° | 118.9° |
| C07 | C05 | C06 | O01 | 24.4° | 25.0° |
| C07 | C05 | C06 | C09 | 142.2° | 144.4° |
| C07 | C05 | C06 | H2 | 94.6° | 92.6° |
| C07 | C05 | C08 | H3 | 58.3° | 49.4° |
| C07 | C05 | C08 | H4 | 61.6° | 70.8° |
| C05 | C07 | C12 | H5 | 4.4° | 0.2° |
| C10 | O01 | C06 | C05 | 19.7° | 27.0° |
| C10 | O01 | C06 | C09 | 144.9° | 148.1° |
| C10 | O01 | C06 | H2 | 95.0° | 90.4° |
| O01 | C10 | C14 | H7 | 0.2° | 0.3° |
| O02 | C11 | C15 | C09 | 179.6° | 179.0° |
| O02 | C11 | C15 | C19 | 179.9° | 179.3° |
| O02 | C11 | C09 | C06 | 0.5° | 0.5° |
| O02 | C11 | C09 | C13 | 179.4° | 179.5° |
| C11 | O02 | C08 | H3 | 176.1° | 58.4° |
| C11 | O02 | C08 | H4 | 56.2° | 178.7° |
| O02 | C11 | C15 | H8 | 0.1° | 0.7° |
| C05 | C06 | O01 | C09 | 125.3° | 121.1° |
| C05 | C06 | O01 | H2 | 114.6° | 117.4° |
| C05 | C06 | C09 | C11 | 0.6° | 0.5° |
| C05 | C06 | C09 | H2 | 122.5° | 123.0° |
| C05 | C06 | C09 | C13 | 179.4° | 179.5° |
| C06 | C05 | C08 | H3 | 177.1° | 62.2° |
| C06 | C05 | C08 | H4 | 57.2° | 177.6° |
| O01 | C06 | C09 | C11 | 114.1° | 115.9° |
| O01 | C06 | C09 | H2 | 122.9° | 121.7° |
| O01 | C06 | C09 | C13 | 66.0° | 64.2° |
| O01 | C06 | C05 | H1 | 150.9° | 143.9° |
| C11 | C15 | C19 | H8 | 180.0° | 180.0° |
| C15 | C11 | C09 | C06 | 179.8° | 179.4° |
| C15 | C11 | C09 | C13 | 0.2° | 0.5° |
| C11 | C15 | C19 | O04 | 179.9° | 179.9° |
| C11 | C15 | C19 | C18 | 0.6° | 0.0° |
| C09 | C11 | C15 | C19 | 0.3° | 0.4° |
| C11 | C09 | C06 | C13 | 179.9° | 179.9° |
| C11 | C09 | C13 | C18 | 0.4° | 0.2° |
| C11 | C09 | C06 | H2 | 123.0° | 122.4° |
| C11 | C09 | C13 | H6 | 179.6° | 179.7° |
| C09 | C11 | C15 | H8 | 179.7° | 179.6° |
| C15 | C19 | O04 | C18 | 179.5° | 179.9° |
| C15 | C19 | C18 | C13 | 0.4° | 0.3° |
| C15 | C19 | C18 | H10 | 179.6° | 179.8° |
| C15 | C19 | O04 | H14 | 180.0° | 90.0° |
| C06 | C09 | C13 | C18 | 179.7° | 179.7° |
| C09 | C06 | C05 | H1 | 91.3° | 96.8° |
| C06 | C09 | C13 | H6 | 0.3° | 0.3° |
| C09 | C13 | C18 | C19 | 0.1° | 0.2° |
| C09 | C13 | C18 | H6 | 180.0° | 180.0° |
| C13 | C09 | C06 | H2 | 56.9° | 57.5° |
| C09 | C13 | C18 | H10 | 179.9° | 180.0° |
| O04 | C19 | C18 | C13 | 179.9° | 179.8° |
| O04 | C19 | C15 | H8 | 0.1° | 0.1° |
| O04 | C19 | C18 | H10 | 0.1° | 0.1° |
| C19 | C18 | C13 | H10 | 180.0° | 179.9° |
| C19 | C18 | C13 | H6 | 179.9° | 179.9° |
| C18 | C19 | C15 | H8 | 179.4° | 180.0° |
| C18 | C19 | O04 | H14 | 0.6° | 90.1° |
| H1 | C05 | C06 | H2 | 31.9° | 26.2° |
| H1 | C05 | C08 | H3 | 63.3° | 173.5° |
| H1 | C05 | C08 | H4 | 176.7° | 53.2° |
| H5 | C12 | C16 | H9 | 1.4° | 0.1° |
| H6 | C13 | C18 | H10 | 0.1° | 0.0° |
| H11 | C20 | H12 | H13 | 120.0° | 120.0° |
