E4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | sing | 1.36Å | 1.37Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| O5 | C16 | sing | 1.34Å | 1.34Å | |
| O5 | C17 | sing | 1.45Å | 1.45Å | |
| C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.36Å | |
| C9 | C8 | sing | 1.47Å | 1.49Å | |
| C16 | O4 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | C13 | 120.6° | 119.9° |
| O3 | C12 | C11 | 119.1° | 119.8° |
| C12 | O3 | H1 | 109.5° | 114.0° |
| C13 | C12 | C11 | 120.2° | 120.3° |
| C12 | C13 | C14 | 121.2° | 120.4° |
| C12 | C13 | H19 | 119.4° | 119.8° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C12 | C11 | H18 | 120.1° | 120.1° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | C9 | 118.9° | 120.1° |
| C14 | C13 | H19 | 119.4° | 119.8° |
| C11 | C10 | C9 | 120.6° | 119.6° |
| C11 | C10 | O2 | 117.6° | 120.2° |
| C10 | C11 | H18 | 120.1° | 120.1° |
| C15 | C14 | C9 | 121.5° | 119.9° |
| C14 | C15 | C16 | 112.7° | 109.5° |
| C14 | C15 | H20 | 108.7° | 109.5° |
| C14 | C15 | H21 | 108.7° | 109.5° |
| C14 | C9 | C10 | 119.3° | 119.7° |
| C14 | C9 | C8 | 120.2° | 120.2° |
| C15 | C16 | O5 | 111.4° | 120.0° |
| C15 | C16 | O4 | 125.1° | 120.0° |
| C16 | C15 | H20 | 108.7° | 109.4° |
| C16 | C15 | H21 | 108.6° | 109.5° |
| C16 | O5 | C17 | 117.9° | 117.0° |
| O5 | C16 | O4 | 123.5° | 120.0° |
| O5 | C17 | C18 | 111.1° | 109.5° |
| O5 | C17 | H22 | 109.0° | 109.5° |
| O5 | C17 | H23 | 109.1° | 109.5° |
| C9 | C10 | O2 | 121.8° | 120.2° |
| C10 | C9 | C8 | 120.5° | 120.2° |
| C10 | O2 | H2 | 109.5° | 114.0° |
| C9 | C8 | C7 | 118.8° | 120.0° |
| C9 | C8 | O1 | 120.8° | 120.0° |
| C1 | C2 | C3 | 114.8° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H12 | 108.1° | 109.4° |
| C1 | C2 | H13 | 108.1° | 109.5° |
| C18 | C17 | H22 | 109.1° | 109.4° |
| C18 | C17 | H23 | 109.0° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.4° |
| C17 | C18 | H26 | 109.4° | 109.5° |
| C7 | C6 | C5 | 113.2° | 109.5° |
| C6 | C7 | C8 | 114.0° | 109.5° |
| C7 | C6 | H3 | 108.5° | 109.4° |
| C7 | C6 | H4 | 108.6° | 109.5° |
| C6 | C7 | H16 | 108.3° | 109.4° |
| C6 | C7 | H17 | 108.3° | 109.5° |
| C6 | C5 | C4 | 114.3° | 109.5° |
| C5 | C6 | H3 | 108.5° | 109.5° |
| C5 | C6 | H4 | 108.5° | 109.5° |
| C6 | C5 | H14 | 108.2° | 109.5° |
| C6 | C5 | H15 | 108.2° | 109.5° |
| C7 | C8 | O1 | 120.4° | 120.0° |
| C8 | C7 | H16 | 108.3° | 109.5° |
| C8 | C7 | H17 | 108.3° | 109.4° |
| C2 | C3 | C4 | 117.6° | 109.5° |
| C2 | C3 | H5 | 107.4° | 109.4° |
| C2 | C3 | H6 | 107.4° | 109.5° |
| C3 | C2 | H12 | 108.1° | 109.5° |
| C3 | C2 | H13 | 108.1° | 109.5° |
| C3 | C4 | C5 | 113.3° | 109.5° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C4 | C3 | H6 | 107.4° | 109.5° |
| C3 | C4 | H10 | 108.5° | 109.5° |
| C3 | C4 | H11 | 108.5° | 109.5° |
| C5 | C4 | H10 | 108.5° | 109.5° |
| C5 | C4 | H11 | 108.5° | 109.4° |
| C4 | C5 | H14 | 108.2° | 109.5° |
| C4 | C5 | H15 | 108.2° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
| H16 | C7 | H17 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.4° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | C13 | C11 | 179.9° | 180.0° |
| O3 | C12 | C13 | C14 | 179.7° | 179.8° |
| O3 | C12 | C11 | C10 | 180.0° | 180.0° |
| O3 | C12 | C11 | H18 | 0.0° | 0.1° |
| O3 | C12 | C13 | H19 | 0.3° | 0.0° |
| C12 | C13 | C14 | H19 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | C15 | 179.5° | 180.0° |
| C12 | C13 | C14 | C9 | 0.4° | 0.5° |
| C13 | C12 | O3 | H1 | 180.0° | 89.9° |
| C13 | C12 | C11 | H18 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | H18 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.3° | 0.0° |
| C12 | C11 | C10 | O2 | 180.0° | 180.0° |
| C11 | C12 | O3 | H1 | 0.1° | 90.0° |
| C11 | C12 | C13 | H19 | 179.8° | 179.9° |
| C13 | C14 | C15 | C9 | 179.1° | 179.5° |
| C13 | C14 | C15 | C16 | 83.1° | 94.1° |
| C13 | C14 | C9 | C10 | 0.2° | 0.5° |
| C13 | C14 | C9 | C8 | 180.0° | 179.7° |
| C13 | C14 | C15 | H20 | 156.4° | 25.9° |
| C13 | C14 | C15 | H21 | 37.4° | 145.9° |
| C11 | C10 | C9 | C14 | 0.1° | 0.2° |
| C11 | C10 | C9 | O2 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 179.7° | 180.0° |
| C11 | C10 | O2 | H2 | 180.0° | 90.0° |
| C14 | C15 | C16 | H20 | 120.5° | 120.0° |
| C14 | C15 | C16 | H21 | 120.5° | 120.0° |
| C14 | C15 | C16 | O5 | 142.9° | 180.0° |
| C15 | C14 | C9 | C10 | 179.3° | 180.0° |
| C15 | C14 | C9 | C8 | 0.9° | 0.2° |
| C14 | C15 | C16 | O4 | 34.7° | 0.1° |
| C15 | C14 | C13 | H19 | 0.5° | 0.2° |
| C14 | C15 | H20 | H21 | 118.5° | 120.0° |
| C9 | C14 | C15 | C16 | 96.0° | 85.5° |
| C14 | C9 | C10 | C8 | 179.8° | 179.8° |
| C14 | C9 | C10 | O2 | 179.9° | 179.8° |
| C14 | C9 | C8 | C7 | 73.6° | 91.1° |
| C14 | C9 | C8 | O1 | 104.9° | 89.0° |
| C9 | C14 | C13 | H19 | 179.6° | 179.7° |
| C9 | C14 | C15 | H20 | 24.5° | 154.6° |
| C9 | C14 | C15 | H21 | 143.5° | 34.5° |
| C15 | C16 | O5 | O4 | 177.6° | 179.9° |
| C15 | C16 | O5 | C17 | 100.1° | 180.0° |
| C16 | C15 | H20 | H21 | 118.5° | 120.0° |
| C16 | O5 | C17 | C18 | 49.7° | 180.0° |
| O5 | C16 | C15 | H20 | 96.6° | 60.1° |
| O5 | C16 | C15 | H21 | 22.4° | 60.0° |
| C16 | O5 | C17 | H22 | 70.6° | 60.0° |
| C16 | O5 | C17 | H23 | 169.9° | 60.0° |
| C17 | O5 | C16 | O4 | 82.3° | 0.1° |
| O5 | C17 | C18 | H22 | 120.2° | 120.0° |
| O5 | C17 | C18 | H23 | 120.2° | 120.0° |
| O5 | C17 | H22 | H23 | 119.3° | 120.0° |
| O5 | C17 | C18 | H24 | 180.0° | 180.0° |
| O5 | C17 | C18 | H25 | 60.0° | 60.0° |
| O5 | C17 | C18 | H26 | 60.0° | 60.0° |
| C10 | C9 | C8 | C7 | 106.1° | 88.7° |
| C10 | C9 | C8 | O1 | 75.3° | 91.2° |
| C9 | C10 | O2 | H2 | 0.2° | 90.0° |
| C9 | C10 | C11 | H18 | 179.7° | 179.9° |
| O2 | C10 | C9 | C8 | 0.1° | 0.0° |
| O2 | C10 | C11 | H18 | 0.0° | 0.1° |
| C9 | C8 | C7 | C6 | 83.1° | 179.9° |
| C9 | C8 | C7 | O1 | 178.6° | 180.0° |
| C9 | C8 | C7 | H16 | 156.2° | 60.0° |
| C9 | C8 | C7 | H17 | 37.6° | 60.0° |
| O4 | C16 | C15 | H20 | 85.9° | 120.0° |
| O4 | C16 | C15 | H21 | 155.2° | 119.9° |
| C1 | C2 | C3 | H12 | 120.8° | 119.9° |
| C1 | C2 | C3 | H13 | 120.8° | 120.0° |
| C1 | C2 | C3 | C4 | 70.6° | 180.0° |
| C1 | C2 | C3 | H5 | 50.6° | 60.0° |
| C1 | C2 | C3 | H6 | 168.2° | 60.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H12 | H13 | 117.6° | 120.0° |
| C18 | C17 | H22 | H23 | 119.3° | 120.0° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C17 | C18 | H24 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C7 | C6 | C5 | H3 | 120.5° | 119.9° |
| C7 | C6 | C5 | H4 | 120.6° | 120.0° |
| C6 | C7 | C8 | H16 | 120.7° | 120.0° |
| C6 | C7 | C8 | H17 | 120.7° | 120.1° |
| C6 | C7 | C8 | O1 | 98.3° | 0.0° |
| C7 | C6 | C5 | C4 | 148.4° | 180.0° |
| C7 | C6 | H3 | H4 | 118.3° | 120.0° |
| C7 | C6 | C5 | H14 | 90.9° | 59.9° |
| C7 | C6 | C5 | H15 | 27.7° | 60.1° |
| C6 | C7 | H16 | H17 | 117.9° | 120.1° |
| C5 | C6 | C7 | C8 | 79.4° | 180.0° |
| C6 | C5 | C4 | C3 | 74.0° | 179.9° |
| C6 | C5 | C4 | H14 | 120.7° | 120.1° |
| C6 | C5 | C4 | H15 | 120.7° | 120.0° |
| C5 | C6 | H3 | H4 | 118.3° | 120.0° |
| C6 | C5 | C4 | H10 | 165.4° | 60.0° |
| C6 | C5 | C4 | H11 | 46.5° | 60.0° |
| C6 | C5 | H14 | H15 | 117.8° | 120.0° |
| C5 | C6 | C7 | H16 | 41.3° | 60.0° |
| C5 | C6 | C7 | H17 | 160.0° | 59.9° |
| C8 | C7 | C6 | H3 | 41.2° | 60.0° |
| C8 | C7 | C6 | H4 | 160.1° | 60.0° |
| C8 | C7 | H16 | H17 | 117.9° | 120.0° |
| O1 | C8 | C7 | H16 | 22.3° | 120.0° |
| O1 | C8 | C7 | H17 | 141.0° | 120.1° |
| C2 | C3 | C4 | H5 | 121.2° | 119.9° |
| C2 | C3 | C4 | H6 | 121.2° | 120.0° |
| C2 | C3 | C4 | C5 | 169.3° | 180.0° |
| C2 | C3 | H5 | H6 | 116.3° | 120.0° |
| C3 | C2 | C1 | H7 | 180.0° | 180.0° |
| C3 | C2 | C1 | H8 | 60.0° | 60.1° |
| C3 | C2 | C1 | H9 | 60.0° | 60.0° |
| C2 | C3 | C4 | H10 | 70.1° | 60.0° |
| C2 | C3 | C4 | H11 | 48.8° | 60.1° |
| C3 | C2 | H12 | H13 | 117.6° | 120.1° |
| C3 | C4 | C5 | H10 | 120.6° | 120.0° |
| C3 | C4 | C5 | H11 | 120.5° | 120.0° |
| C4 | C3 | H5 | H6 | 116.3° | 120.0° |
| C3 | C4 | H10 | H11 | 118.2° | 120.0° |
| C4 | C3 | C2 | H12 | 168.6° | 60.1° |
| C4 | C3 | C2 | H13 | 50.2° | 60.0° |
| C3 | C4 | C5 | H14 | 165.3° | 60.0° |
| C3 | C4 | C5 | H15 | 46.7° | 60.0° |
| C4 | C5 | C6 | H3 | 27.9° | 60.0° |
| C4 | C5 | C6 | H4 | 91.0° | 60.0° |
| C5 | C4 | C3 | H5 | 48.1° | 60.0° |
| C5 | C4 | C3 | H6 | 69.5° | 60.0° |
| C5 | C4 | H10 | H11 | 118.3° | 120.0° |
| C4 | C5 | H14 | H15 | 117.8° | 120.0° |
| H3 | C6 | C5 | H14 | 148.6° | 60.0° |
| H3 | C6 | C5 | H15 | 92.8° | 180.0° |
| H3 | C6 | C7 | H16 | 161.9° | 180.0° |
| H3 | C6 | C7 | H17 | 79.5° | 60.0° |
| H4 | C6 | C5 | H14 | 29.7° | 180.0° |
| H4 | C6 | C5 | H15 | 148.3° | 60.0° |
| H4 | C6 | C7 | H16 | 79.2° | 60.0° |
| H4 | C6 | C7 | H17 | 39.4° | 180.0° |
| H5 | C3 | C4 | H10 | 168.7° | 60.0° |
| H5 | C3 | C4 | H11 | 72.4° | 180.0° |
| H5 | C3 | C2 | H12 | 70.2° | 180.0° |
| H5 | C3 | C2 | H13 | 171.4° | 60.0° |
| H6 | C3 | C4 | H10 | 51.1° | 180.0° |
| H6 | C3 | C4 | H11 | 170.0° | 60.0° |
| H6 | C3 | C2 | H12 | 47.4° | 60.0° |
| H6 | C3 | C2 | H13 | 71.0° | 180.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H12 | 59.2° | 60.0° |
| H7 | C1 | C2 | H13 | 59.2° | 60.0° |
| H8 | C1 | C2 | H12 | 60.8° | 180.0° |
| H8 | C1 | C2 | H13 | 179.2° | 60.0° |
| H9 | C1 | C2 | H12 | 179.2° | 60.0° |
| H9 | C1 | C2 | H13 | 60.8° | 180.0° |
| H10 | C4 | C5 | H14 | 44.7° | 60.0° |
| H10 | C4 | C5 | H15 | 73.9° | 180.0° |
| H11 | C4 | C5 | H14 | 74.2° | 180.0° |
| H11 | C4 | C5 | H15 | 167.2° | 60.0° |
| H22 | C17 | C18 | H24 | 59.8° | 60.0° |
| H22 | C17 | C18 | H25 | 179.8° | 179.9° |
| H22 | C17 | C18 | H26 | 60.3° | 60.0° |
| H23 | C17 | C18 | H24 | 59.8° | 60.0° |
| H23 | C17 | C18 | H25 | 60.3° | 60.0° |
| H23 | C17 | C18 | H26 | 179.8° | 180.0° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
