LFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C23 | doub | 1.22Å | 1.21Å | |
| O5 | C16 | doub | 1.22Å | 1.20Å | |
| O4 | C16 | sing | 1.35Å | 1.36Å | |
| C16 | C15 | sing | 1.47Å | 1.49Å | |
| C23 | C15 | sing | 1.47Å | 1.47Å | |
| C23 | O1 | sing | 1.35Å | 1.38Å | |
| C15 | C14 | doub | 1.39Å | 1.35Å | |
| O1 | C1 | sing | 1.35Å | 1.38Å | |
| C14 | C13 | sing | 1.42Å | 1.44Å | |
| C1 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C4 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | C6 | sing | 1.36Å | 57.23Å | |
| C6 | C7 | sing | 1.39Å | 0.00Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 0.00Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 0.00Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 0.00Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 0.00Å | Aromatic |
| C10 | I1 | sing | 2.10Å | 0.00Å | |
| C7 | H1 | sing | 1.08Å | 0.00Å | |
| C8 | H9 | sing | 1.08Å | 0.00Å | |
| C9 | H10 | sing | 1.08Å | 0.00Å | |
| C11 | H11 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C23 | C15 | 126.5° | 121.1° |
| O6 | C23 | O1 | 116.1° | 121.0° |
| O5 | C16 | O4 | 123.7° | 119.9° |
| O5 | C16 | C15 | 125.0° | 120.0° |
| O4 | C16 | C15 | 111.2° | 120.1° |
| C16 | O4 | C6 | 88.0° | 117.1° |
| C16 | C15 | C23 | 120.2° | 121.4° |
| C16 | C15 | C14 | 120.0° | 121.4° |
| C15 | C23 | O1 | 117.3° | 117.9° |
| C23 | C15 | C14 | 119.8° | 117.2° |
| C23 | O1 | C1 | 122.5° | 116.4° |
| C15 | C14 | C13 | 121.7° | 117.9° |
| C15 | C14 | H2 | 119.1° | 121.1° |
| O1 | C1 | C13 | 120.8° | 120.2° |
| O1 | C1 | C2 | 117.8° | 120.3° |
| C14 | C13 | C1 | 117.8° | 119.8° |
| C14 | C13 | C12 | 124.1° | 120.5° |
| C13 | C14 | H2 | 119.2° | 121.0° |
| C13 | C1 | C2 | 121.4° | 119.4° |
| C1 | C13 | C12 | 118.0° | 119.7° |
| C1 | C2 | C3 | 119.2° | 119.9° |
| C1 | C2 | H5 | 120.4° | 120.1° |
| C13 | C12 | C4 | 121.6° | 119.8° |
| C13 | C12 | H3 | 119.2° | 120.1° |
| C2 | C3 | C4 | 121.3° | 120.6° |
| C2 | C3 | H4 | 119.3° | 119.7° |
| C3 | C2 | H5 | 120.4° | 120.0° |
| C12 | C4 | C3 | 118.5° | 120.5° |
| C12 | C4 | C5 | 120.7° | 119.8° |
| C4 | C12 | H3 | 119.2° | 120.0° |
| C3 | C4 | C5 | 120.8° | 119.7° |
| C4 | C3 | H4 | 119.3° | 119.7° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.4° |
| H6 | C5 | H8 | 109.5° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| O4 | C6 | C7 | 90.0° | 120.1° |
| O4 | C6 | C11 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 119.9° |
| C7 | C6 | C11 | 90.0° | 119.9° |
| C6 | C7 | H1 | 90.0° | 120.0° |
| C7 | C8 | C9 | 90.0° | 120.1° |
| C8 | C7 | H1 | 90.0° | 120.0° |
| C7 | C8 | H9 | 90.0° | 120.0° |
| C8 | C9 | C10 | 90.0° | 120.1° |
| C9 | C8 | H9 | 90.0° | 120.0° |
| C8 | C9 | H10 | 90.0° | 119.9° |
| C9 | C10 | C11 | 90.0° | 120.1° |
| C9 | C10 | I1 | 90.0° | 120.0° |
| C10 | C9 | H10 | 90.0° | 120.0° |
| C10 | C11 | C6 | 90.0° | 119.9° |
| C11 | C10 | I1 | 90.0° | 119.9° |
| C10 | C11 | H11 | 90.0° | 120.1° |
| C6 | C11 | H11 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C23 | C15 | C16 | 2.3° | 26.1° |
| O6 | C23 | C15 | O1 | 177.2° | 179.9° |
| O6 | C23 | C15 | C14 | 176.4° | 154.1° |
| O6 | C23 | O1 | C1 | 176.2° | 140.7° |
| O5 | C16 | O4 | C15 | 177.1° | 179.8° |
| O5 | C16 | C15 | C23 | 134.2° | 179.8° |
| O5 | C16 | C15 | C14 | 47.1° | 0.0° |
| O5 | C16 | O4 | C6 | 75.5° | 4.8° |
| O4 | C16 | C15 | C23 | 48.8° | 0.0° |
| O4 | C16 | C15 | C14 | 129.9° | 179.8° |
| C16 | O4 | C6 | C7 | 90.0° | 77.0° |
| C16 | O4 | C6 | C11 | 90.0° | 103.3° |
| C16 | C15 | C23 | C14 | 178.7° | 179.8° |
| C16 | C15 | C23 | O1 | 179.5° | 153.8° |
| C16 | C15 | C14 | C13 | 178.1° | 178.7° |
| C16 | C15 | C14 | H2 | 2.0° | 1.4° |
| C15 | C16 | O4 | C6 | 107.5° | 175.4° |
| C15 | C23 | O1 | C1 | 1.2° | 39.4° |
| C23 | C15 | C14 | C13 | 0.6° | 1.1° |
| C23 | C15 | C14 | H2 | 179.3° | 178.9° |
| O1 | C23 | C15 | C14 | 0.8° | 26.0° |
| C23 | O1 | C1 | C13 | 0.3° | 28.4° |
| C23 | O1 | C1 | C2 | 177.2° | 153.1° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | C1 | 1.6° | 9.8° |
| C15 | C14 | C13 | C12 | 176.3° | 170.9° |
| O1 | C1 | C13 | C14 | 1.2° | 3.4° |
| O1 | C1 | C13 | C2 | 177.4° | 178.5° |
| O1 | C1 | C13 | C12 | 176.8° | 175.8° |
| O1 | C1 | C2 | C3 | 176.5° | 177.2° |
| O1 | C1 | C2 | H5 | 3.5° | 2.9° |
| C14 | C13 | C1 | C12 | 178.0° | 179.3° |
| C14 | C13 | C1 | C2 | 178.6° | 178.1° |
| C14 | C13 | C12 | C4 | 177.5° | 178.4° |
| C14 | C13 | C12 | H3 | 2.5° | 1.7° |
| C13 | C1 | C2 | C3 | 0.9° | 1.3° |
| C1 | C13 | C12 | C4 | 0.4° | 2.3° |
| C1 | C13 | C14 | H2 | 178.3° | 170.2° |
| C1 | C13 | C12 | H3 | 179.6° | 177.6° |
| C13 | C1 | C2 | H5 | 179.0° | 178.6° |
| C2 | C1 | C13 | C12 | 0.6° | 2.7° |
| C1 | C2 | C3 | H5 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.4° |
| C1 | C2 | C3 | H4 | 179.6° | 179.7° |
| C13 | C12 | C4 | H3 | 180.0° | 179.9° |
| C13 | C12 | C4 | C3 | 0.9° | 0.6° |
| C13 | C12 | C4 | C5 | 177.7° | 179.4° |
| C12 | C13 | C14 | H2 | 3.8° | 9.1° |
| C2 | C3 | C4 | C12 | 0.5° | 0.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 178.1° | 179.2° |
| C12 | C4 | C3 | C5 | 178.5° | 180.0° |
| C12 | C4 | C3 | H4 | 179.5° | 179.3° |
| C12 | C4 | C5 | H6 | 90.8° | 90.0° |
| C12 | C4 | C5 | H7 | 149.3° | 150.0° |
| C12 | C4 | C5 | H8 | 29.2° | 30.0° |
| C3 | C4 | C12 | H3 | 179.1° | 179.3° |
| C4 | C3 | C2 | H5 | 179.5° | 179.7° |
| C3 | C4 | C5 | H6 | 90.7° | 90.0° |
| C3 | C4 | C5 | H7 | 29.2° | 30.0° |
| C3 | C4 | C5 | H8 | 149.3° | 150.0° |
| C5 | C4 | C12 | H3 | 2.3° | 0.7° |
| C5 | C4 | C3 | H4 | 1.9° | 0.7° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.1° |
| H4 | C3 | C2 | H5 | 0.5° | 0.2° |
| H6 | C5 | H7 | H8 | 120.0° | 119.9° |
| O4 | C6 | C7 | C11 | 90.0° | 179.7° |
| O4 | C6 | C7 | C8 | 90.0° | 180.0° |
| O4 | C6 | C11 | C10 | 90.0° | 179.7° |
| O4 | C6 | C7 | H1 | 90.0° | 0.0° |
| O4 | C6 | C11 | H11 | 90.0° | 0.4° |
| C6 | C7 | C8 | H1 | 90.0° | 180.0° |
| C6 | C7 | C8 | C9 | 90.0° | 0.1° |
| C7 | C6 | C11 | C10 | 90.0° | 0.6° |
| C6 | C7 | C8 | H9 | 90.0° | 180.0° |
| C7 | C6 | C11 | H11 | 90.0° | 179.9° |
| C7 | C8 | C9 | H9 | 90.0° | 179.9° |
| C7 | C8 | C9 | C10 | 90.0° | 0.1° |
| C8 | C7 | C6 | C11 | 90.0° | 0.2° |
| C7 | C8 | C9 | H10 | 90.0° | 180.0° |
| C8 | C9 | C10 | H10 | 90.0° | 180.0° |
| C8 | C9 | C10 | C11 | 90.0° | 0.3° |
| C8 | C9 | C10 | I1 | 90.0° | 180.0° |
| C9 | C8 | C7 | H1 | 90.0° | 179.9° |
| C9 | C10 | C11 | I1 | 90.0° | 179.7° |
| C9 | C10 | C11 | C6 | 90.0° | 0.6° |
| C10 | C9 | C8 | H9 | 90.0° | 179.9° |
| C9 | C10 | C11 | H11 | 90.0° | 179.9° |
| C10 | C11 | C6 | H11 | 90.0° | 179.3° |
| C11 | C10 | C9 | H10 | 90.0° | 179.7° |
| C6 | C11 | C10 | I1 | 90.0° | 179.7° |
| C11 | C6 | C7 | H1 | 90.0° | 179.7° |
| I1 | C10 | C9 | H10 | 90.0° | 0.0° |
| I1 | C10 | C11 | H11 | 90.0° | 0.3° |
| H1 | C7 | C8 | H9 | 90.0° | 0.1° |
| H9 | C8 | C9 | H10 | 90.0° | 0.1° |
