LHX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C17 | sing | 1.36Å | 1.36Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| C17 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C7 | O3 | sing | 1.43Å | 1.40Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O5 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | O5 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O4 | sing | 1.36Å | 1.36Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å | |
| O6 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C17 | C2 | 120.6° | 120.1° |
| O6 | C17 | C16 | 119.6° | 120.1° |
| C17 | O6 | H20 | 109.5° | 114.0° |
| C1 | O1 | C2 | 116.5° | 117.0° |
| O1 | C1 | H11 | 109.5° | 109.4° |
| O1 | C1 | H12 | 109.5° | 109.4° |
| O1 | C1 | H13 | 109.4° | 109.5° |
| O1 | C2 | C17 | 114.5° | 120.1° |
| O1 | C2 | C3 | 125.3° | 120.1° |
| C2 | C17 | C16 | 119.9° | 119.9° |
| C17 | C2 | C3 | 120.2° | 119.8° |
| C17 | C16 | C15 | 119.7° | 120.0° |
| C17 | C16 | H10 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H14 | 119.8° | 120.0° |
| C16 | C15 | C4 | 121.3° | 120.2° |
| C16 | C15 | H9 | 119.3° | 119.9° |
| C15 | C16 | H10 | 120.2° | 120.0° |
| C3 | C4 | C15 | 118.4° | 120.1° |
| C3 | C4 | C5 | 122.2° | 119.9° |
| C4 | C3 | H14 | 119.8° | 120.1° |
| C15 | C4 | C5 | 119.4° | 120.0° |
| C4 | C15 | H9 | 119.4° | 119.9° |
| C4 | C5 | O2 | 114.3° | 109.4° |
| C4 | C5 | C6 | 114.3° | 109.5° |
| C4 | C5 | H1 | 106.7° | 109.5° |
| O3 | C7 | C6 | 109.0° | 109.4° |
| O3 | C7 | H3 | 109.6° | 109.5° |
| O3 | C7 | H4 | 109.6° | 109.5° |
| C7 | O3 | H16 | 109.5° | 114.0° |
| C7 | C6 | C5 | 111.1° | 109.5° |
| C7 | C6 | C8 | 111.7° | 109.5° |
| C7 | C6 | H2 | 107.1° | 109.5° |
| C6 | C7 | H3 | 109.6° | 109.5° |
| C6 | C7 | H4 | 109.6° | 109.5° |
| O2 | C5 | C6 | 106.6° | 109.5° |
| O2 | C5 | H1 | 107.9° | 109.5° |
| C5 | O2 | H15 | 109.5° | 114.0° |
| C5 | C6 | C8 | 112.6° | 109.4° |
| C6 | C5 | H1 | 106.6° | 109.5° |
| C5 | C6 | H2 | 106.9° | 109.5° |
| C6 | C8 | C14 | 120.9° | 119.9° |
| C6 | C8 | C9 | 120.5° | 119.9° |
| C8 | C6 | H2 | 107.1° | 109.5° |
| C14 | C8 | C9 | 118.6° | 120.2° |
| C8 | C14 | C12 | 120.6° | 120.0° |
| C8 | C14 | H8 | 119.7° | 120.0° |
| C8 | C9 | C10 | 121.7° | 120.1° |
| C8 | C9 | H17 | 119.2° | 120.0° |
| C14 | C12 | O5 | 125.1° | 120.1° |
| C14 | C12 | C11 | 120.0° | 119.8° |
| C12 | C14 | H8 | 119.7° | 120.0° |
| C13 | O5 | C12 | 117.4° | 117.0° |
| O5 | C13 | H5 | 109.5° | 109.5° |
| O5 | C13 | H6 | 109.5° | 109.5° |
| O5 | C13 | H7 | 109.5° | 109.5° |
| C9 | C10 | C11 | 119.4° | 120.0° |
| C10 | C9 | H17 | 119.1° | 119.9° |
| C9 | C10 | H18 | 120.3° | 120.0° |
| O5 | C12 | C11 | 114.9° | 120.1° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C12 | C11 | O4 | 119.7° | 120.1° |
| C10 | C11 | O4 | 120.5° | 120.1° |
| C11 | C10 | H18 | 120.3° | 120.0° |
| C11 | O4 | H19 | 109.5° | 114.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.4° | 109.4° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C17 | C2 | O1 | 0.7° | 0.2° |
| O6 | C17 | C2 | C16 | 179.9° | 179.9° |
| O6 | C17 | C2 | C3 | 178.4° | 180.0° |
| O6 | C17 | C16 | C15 | 177.9° | 179.9° |
| O6 | C17 | C16 | H10 | 2.1° | 0.0° |
| C1 | O1 | C2 | C17 | 130.4° | 179.7° |
| C1 | O1 | C2 | C3 | 48.6° | 0.0° |
| O1 | C1 | H11 | H12 | 120.0° | 119.9° |
| O1 | C1 | H11 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| O1 | C2 | C17 | C3 | 179.1° | 179.8° |
| O1 | C2 | C17 | C16 | 179.4° | 179.7° |
| O1 | C2 | C3 | C4 | 179.8° | 179.7° |
| C2 | O1 | C1 | H11 | 180.0° | 60.1° |
| C2 | O1 | C1 | H12 | 60.0° | 180.0° |
| C2 | O1 | C1 | H13 | 60.0° | 60.0° |
| O1 | C2 | C3 | H14 | 0.2° | 0.3° |
| C2 | C17 | C16 | C15 | 2.0° | 0.0° |
| C17 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C17 | C16 | H10 | 178.0° | 180.0° |
| C17 | C2 | C3 | H14 | 179.1° | 179.9° |
| C2 | C17 | O6 | H20 | 180.0° | 90.0° |
| C16 | C17 | C2 | C3 | 1.5° | 0.0° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | C4 | 1.8° | 0.0° |
| C17 | C16 | C15 | H9 | 178.1° | 180.0° |
| C16 | C17 | O6 | H20 | 0.1° | 90.0° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | C15 | 0.7° | 0.0° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C16 | C15 | C4 | C3 | 1.1° | 0.1° |
| C16 | C15 | C4 | H9 | 180.0° | 180.0° |
| C16 | C15 | C4 | C5 | 180.0° | 180.0° |
| C3 | C4 | C15 | C5 | 178.9° | 179.9° |
| C3 | C4 | C5 | O2 | 27.9° | 140.0° |
| C3 | C4 | C5 | C6 | 95.3° | 100.0° |
| C3 | C4 | C5 | H1 | 147.1° | 20.1° |
| C3 | C4 | C15 | H9 | 178.8° | 180.0° |
| C15 | C4 | C5 | O2 | 151.0° | 40.0° |
| C15 | C4 | C5 | C6 | 85.8° | 79.9° |
| C15 | C4 | C5 | H1 | 31.7° | 160.0° |
| C4 | C15 | C16 | H10 | 178.1° | 180.0° |
| C15 | C4 | C3 | H14 | 179.3° | 180.0° |
| C4 | C5 | C6 | C7 | 35.1° | 65.0° |
| C4 | C5 | O2 | C6 | 127.3° | 120.0° |
| C4 | C5 | O2 | H1 | 118.5° | 120.0° |
| C4 | C5 | C6 | H1 | 117.6° | 120.1° |
| C4 | C5 | C6 | C8 | 161.3° | 175.0° |
| C4 | C5 | C6 | H2 | 81.4° | 55.1° |
| C5 | C4 | C15 | H9 | 0.1° | 0.1° |
| C5 | C4 | C3 | H14 | 0.5° | 0.1° |
| C4 | C5 | O2 | H15 | 180.0° | 60.0° |
| O3 | C7 | C6 | H3 | 119.9° | 120.0° |
| O3 | C7 | C6 | H4 | 119.9° | 120.0° |
| O3 | C7 | C6 | C5 | 152.0° | 175.0° |
| O3 | C7 | C6 | C8 | 81.3° | 65.0° |
| O3 | C7 | C6 | H2 | 35.6° | 55.0° |
| O3 | C7 | H3 | H4 | 120.2° | 120.0° |
| C7 | C6 | C5 | O2 | 92.2° | 55.0° |
| C7 | C6 | C5 | C8 | 126.2° | 120.0° |
| C7 | C6 | C5 | H2 | 116.5° | 120.1° |
| C7 | C6 | C8 | H2 | 116.9° | 120.1° |
| C7 | C6 | C8 | C14 | 42.0° | 120.0° |
| C7 | C6 | C8 | C9 | 137.7° | 59.9° |
| C7 | C6 | C5 | H1 | 152.7° | 175.0° |
| C6 | C7 | H3 | H4 | 120.2° | 120.0° |
| C6 | C7 | O3 | H16 | 180.0° | 180.0° |
| O2 | C5 | C6 | H1 | 115.1° | 120.0° |
| O2 | C5 | C6 | C8 | 33.9° | 65.0° |
| O2 | C5 | C6 | H2 | 151.3° | 175.0° |
| C5 | C6 | C8 | H2 | 117.2° | 120.0° |
| C5 | C6 | C8 | C14 | 83.9° | 120.0° |
| C5 | C6 | C8 | C9 | 96.4° | 60.1° |
| C5 | C6 | C7 | H3 | 88.0° | 55.1° |
| C5 | C6 | C7 | H4 | 32.1° | 65.0° |
| C6 | C5 | O2 | H15 | 52.7° | 60.0° |
| C6 | C8 | C14 | C9 | 179.7° | 179.9° |
| C6 | C8 | C14 | C12 | 179.0° | 180.0° |
| C6 | C8 | C9 | C10 | 178.8° | 179.7° |
| C8 | C6 | C5 | H1 | 81.1° | 55.0° |
| C8 | C6 | C7 | H3 | 38.6° | 175.0° |
| C8 | C6 | C7 | H4 | 158.8° | 55.0° |
| C6 | C8 | C14 | H8 | 1.0° | 0.0° |
| C6 | C8 | C9 | H17 | 1.2° | 0.1° |
| C8 | C14 | C12 | H8 | 180.0° | 180.0° |
| C14 | C8 | C9 | C10 | 0.9° | 0.4° |
| C8 | C14 | C12 | O5 | 179.9° | 180.0° |
| C8 | C14 | C12 | C11 | 0.1° | 0.0° |
| C14 | C8 | C6 | H2 | 158.9° | 0.0° |
| C14 | C8 | C9 | H17 | 179.1° | 180.0° |
| C9 | C8 | C14 | C12 | 0.7° | 0.1° |
| C8 | C9 | C10 | H17 | 180.0° | 179.6° |
| C8 | C9 | C10 | C11 | 0.2° | 0.6° |
| C9 | C8 | C6 | H2 | 20.8° | 180.0° |
| C9 | C8 | C14 | H8 | 179.3° | 179.9° |
| C8 | C9 | C10 | H18 | 179.8° | 180.0° |
| C14 | C12 | O5 | C13 | 13.5° | 0.0° |
| C14 | C12 | O5 | C11 | 179.9° | 180.0° |
| C14 | C12 | C11 | C10 | 0.8° | 0.3° |
| C14 | C12 | C11 | O4 | 179.4° | 180.0° |
| C13 | O5 | C12 | C11 | 166.6° | 180.0° |
| O5 | C13 | H5 | H6 | 120.0° | 120.0° |
| O5 | C13 | H5 | H7 | 120.0° | 120.0° |
| O5 | C13 | H6 | H7 | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.6° |
| C9 | C10 | C11 | H18 | 180.0° | 179.4° |
| C9 | C10 | C11 | O4 | 179.2° | 179.7° |
| O5 | C12 | C11 | C10 | 179.2° | 179.7° |
| O5 | C12 | C11 | O4 | 0.7° | 0.0° |
| C12 | O5 | C13 | H5 | 180.0° | 180.0° |
| C12 | O5 | C13 | H6 | 60.0° | 60.0° |
| C12 | O5 | C13 | H7 | 60.0° | 60.0° |
| O5 | C12 | C14 | H8 | 0.1° | 0.0° |
| C12 | C11 | C10 | O4 | 178.5° | 179.7° |
| C11 | C12 | C14 | H8 | 179.9° | 180.0° |
| C12 | C11 | C10 | H18 | 179.3° | 180.0° |
| C12 | C11 | O4 | H19 | 180.0° | 90.0° |
| C11 | C10 | C9 | H17 | 179.8° | 179.7° |
| C10 | C11 | O4 | H19 | 1.5° | 90.3° |
| O4 | C11 | C10 | H18 | 0.8° | 0.3° |
| H1 | C5 | C6 | H2 | 36.2° | 65.0° |
| H1 | C5 | O2 | H15 | 61.5° | 180.0° |
| H2 | C6 | C7 | H3 | 155.5° | 65.0° |
| H2 | C6 | C7 | H4 | 84.3° | 175.0° |
| H3 | C7 | O3 | H16 | 60.0° | 60.0° |
| H4 | C7 | O3 | H16 | 60.1° | 60.0° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H9 | C15 | C16 | H10 | 1.9° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H17 | C9 | C10 | H18 | 0.2° | 0.3° |
