LQK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C23 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| O21 | C20 | sing | 1.36Å | 1.36Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C25 | sing | 1.51Å | 1.51Å | |
| C13 | N12 | sing | 1.47Å | 1.49Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | N28 | sing | 1.46Å | 1.47Å | |
| C25 | N12 | sing | 1.47Å | 1.48Å | |
| N12 | C10 | sing | 1.35Å | 1.36Å | |
| O30 | C29 | doub | 1.21Å | 1.21Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| N28 | C29 | sing | 1.35Å | 1.35Å | |
| N28 | C37 | sing | 1.34Å | 1.35Å | |
| C29 | C31 | sing | 1.48Å | 1.46Å | |
| C2 | O3 | doub | 1.21Å | 1.21Å | |
| C2 | C4 | sing | 1.51Å | 1.50Å | |
| C10 | C8 | sing | 1.51Å | 1.51Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C8 | C4 | sing | 1.54Å | 1.54Å | |
| C8 | C7 | sing | 1.54Å | 1.55Å | |
| C37 | O38 | doub | 1.21Å | 1.22Å | |
| C37 | C36 | sing | 1.48Å | 1.48Å | |
| C4 | C6 | sing | 1.54Å | 1.54Å | |
| C31 | C36 | doub | 1.41Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| O24 | H26 | sing | 0.97Å | 0.95Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C23 | C22 | 106.3° | 109.5° |
| O24 | C23 | H10 | 110.2° | 109.5° |
| O24 | C23 | H11 | 110.3° | 109.5° |
| C23 | O24 | H26 | 109.5° | 114.0° |
| C23 | C22 | O21 | 108.1° | 109.4° |
| C22 | C23 | H10 | 110.3° | 109.5° |
| C22 | C23 | H11 | 110.2° | 109.5° |
| C23 | C22 | H24 | 109.8° | 109.5° |
| C23 | C22 | H25 | 109.8° | 109.5° |
| C22 | O21 | C20 | 124.6° | 117.0° |
| O21 | C22 | H24 | 109.8° | 109.5° |
| O21 | C22 | H25 | 109.8° | 109.5° |
| O21 | C20 | C19 | 122.0° | 119.7° |
| O21 | C20 | C15 | 118.5° | 119.7° |
| C20 | C19 | C18 | 120.3° | 119.7° |
| C19 | C20 | C15 | 119.5° | 120.5° |
| C20 | C19 | H9 | 119.8° | 120.1° |
| C19 | C18 | C17 | 119.9° | 119.8° |
| C19 | C18 | H8 | 120.1° | 120.1° |
| C18 | C19 | H9 | 119.8° | 120.1° |
| C20 | C15 | C14 | 118.9° | 117.6° |
| C20 | C15 | C16 | 119.3° | 119.4° |
| C18 | C17 | C16 | 120.5° | 120.6° |
| C18 | C17 | H7 | 119.7° | 119.7° |
| C17 | C18 | H8 | 120.1° | 120.1° |
| C14 | C15 | C16 | 121.8° | 122.9° |
| C15 | C14 | C13 | 113.2° | 110.9° |
| C15 | C14 | H22 | 108.5° | 109.2° |
| C15 | C14 | H23 | 108.6° | 109.2° |
| C15 | C16 | C17 | 120.4° | 119.9° |
| C15 | C16 | C25 | 122.7° | 122.3° |
| C14 | C13 | N12 | 108.3° | 107.9° |
| C14 | C13 | H20 | 109.8° | 109.8° |
| C14 | C13 | H21 | 109.7° | 109.8° |
| C13 | C14 | H22 | 108.6° | 109.2° |
| C13 | C14 | H23 | 108.5° | 109.2° |
| C17 | C16 | C25 | 116.8° | 117.8° |
| C16 | C17 | H7 | 119.7° | 119.7° |
| C16 | C25 | C27 | 112.4° | 109.4° |
| C16 | C25 | N12 | 110.0° | 109.7° |
| C16 | C25 | H27 | 107.9° | 109.5° |
| C13 | N12 | C25 | 115.4° | 117.3° |
| C13 | N12 | C10 | 124.8° | 121.3° |
| N12 | C13 | H20 | 109.7° | 109.8° |
| N12 | C13 | H21 | 109.8° | 109.8° |
| C25 | C27 | N28 | 107.8° | 109.5° |
| C27 | C25 | N12 | 110.6° | 109.4° |
| C25 | C27 | H12 | 109.9° | 109.5° |
| C25 | C27 | H13 | 109.9° | 109.5° |
| C27 | C25 | H27 | 107.6° | 109.4° |
| C27 | N28 | C29 | 124.6° | 124.4° |
| C27 | N28 | C37 | 124.9° | 124.5° |
| N28 | C27 | H12 | 109.9° | 109.5° |
| N28 | C27 | H13 | 109.9° | 109.5° |
| C25 | N12 | C10 | 119.8° | 121.4° |
| N12 | C25 | H27 | 108.2° | 109.4° |
| N12 | C10 | C8 | 123.5° | 120.0° |
| N12 | C10 | O11 | 118.2° | 120.0° |
| O30 | C29 | N28 | 127.7° | 125.8° |
| O30 | C29 | C31 | 123.4° | 125.7° |
| N1 | C2 | O3 | 119.5° | 120.0° |
| N1 | C2 | C4 | 118.2° | 120.0° |
| C2 | N1 | H18 | 120.0° | 120.0° |
| C2 | N1 | H19 | 120.0° | 120.0° |
| C29 | N28 | C37 | 110.5° | 111.1° |
| N28 | C29 | C31 | 108.9° | 108.5° |
| N28 | C37 | O38 | 126.7° | 125.7° |
| N28 | C37 | C36 | 108.5° | 108.6° |
| C29 | C31 | C36 | 106.3° | 105.9° |
| C29 | C31 | C32 | 133.5° | 134.2° |
| O3 | C2 | C4 | 122.2° | 120.0° |
| C2 | C4 | C8 | 116.9° | 113.6° |
| C2 | C4 | C6 | 115.4° | 113.6° |
| C2 | C4 | H1 | 112.0° | 112.9° |
| C8 | C10 | O11 | 118.2° | 120.0° |
| C10 | C8 | C4 | 119.0° | 113.6° |
| C10 | C8 | C7 | 113.3° | 113.6° |
| C10 | C8 | H6 | 112.5° | 112.9° |
| C4 | C8 | C7 | 85.0° | 87.1° |
| C8 | C4 | C6 | 87.6° | 87.1° |
| C8 | C4 | H1 | 111.3° | 113.7° |
| C4 | C8 | H6 | 112.1° | 113.6° |
| C8 | C7 | C6 | 87.4° | 87.1° |
| C8 | C7 | H4 | 114.6° | 113.6° |
| C8 | C7 | H5 | 114.7° | 113.7° |
| C7 | C8 | H6 | 112.1° | 113.6° |
| O38 | C37 | C36 | 124.8° | 125.7° |
| C37 | C36 | C31 | 105.8° | 105.9° |
| C37 | C36 | C35 | 135.0° | 134.3° |
| C4 | C6 | C7 | 85.4° | 87.1° |
| C6 | C4 | H1 | 111.5° | 113.6° |
| C4 | C6 | H2 | 115.1° | 113.6° |
| C4 | C6 | H3 | 115.1° | 113.6° |
| C36 | C31 | C32 | 120.3° | 119.9° |
| C31 | C36 | C35 | 119.1° | 119.8° |
| C31 | C32 | C33 | 120.6° | 119.7° |
| C31 | C32 | H14 | 119.7° | 120.2° |
| C36 | C35 | C34 | 120.0° | 119.7° |
| C36 | C35 | H17 | 120.0° | 120.2° |
| C32 | C33 | C34 | 119.5° | 120.5° |
| C33 | C32 | H14 | 119.7° | 120.1° |
| C32 | C33 | H15 | 120.3° | 119.8° |
| C7 | C6 | H2 | 115.1° | 113.7° |
| C7 | C6 | H3 | 115.1° | 113.6° |
| C6 | C7 | H4 | 114.7° | 113.5° |
| C6 | C7 | H5 | 114.6° | 113.7° |
| C35 | C34 | C33 | 120.5° | 120.5° |
| C35 | C34 | H16 | 119.8° | 119.8° |
| C34 | C35 | H17 | 120.0° | 120.1° |
| C34 | C33 | H15 | 120.2° | 119.8° |
| C33 | C34 | H16 | 119.7° | 119.7° |
| H2 | C6 | H3 | 109.4° | 112.9° |
| H4 | C7 | H5 | 109.5° | 112.9° |
| H10 | C23 | H11 | 109.5° | 109.4° |
| H12 | C27 | H13 | 109.4° | 109.4° |
| H18 | N1 | H19 | 120.0° | 120.0° |
| H20 | C13 | H21 | 109.5° | 109.8° |
| H22 | C14 | H23 | 109.4° | 109.2° |
| H24 | C22 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C23 | C22 | H10 | 119.5° | 120.0° |
| O24 | C23 | C22 | H11 | 119.5° | 120.0° |
| O24 | C23 | C22 | O21 | 159.7° | 65.0° |
| O24 | C23 | H10 | H11 | 121.5° | 120.0° |
| O24 | C23 | C22 | H24 | 39.9° | 175.0° |
| O24 | C23 | C22 | H25 | 80.5° | 55.0° |
| C23 | C22 | O21 | H24 | 119.8° | 120.0° |
| C23 | C22 | O21 | H25 | 119.8° | 120.0° |
| C23 | C22 | O21 | C20 | 142.0° | 180.0° |
| C22 | C23 | H10 | H11 | 121.5° | 120.0° |
| C23 | C22 | H24 | H25 | 120.6° | 120.0° |
| C22 | C23 | O24 | H26 | 180.0° | 180.0° |
| C22 | O21 | C20 | C19 | 20.3° | 0.0° |
| C22 | O21 | C20 | C15 | 161.0° | 179.6° |
| O21 | C22 | C23 | H10 | 80.8° | 175.0° |
| O21 | C22 | C23 | H11 | 40.2° | 55.0° |
| O21 | C22 | H24 | H25 | 120.6° | 120.0° |
| O21 | C20 | C19 | C15 | 178.6° | 179.6° |
| O21 | C20 | C19 | C18 | 179.3° | 180.0° |
| O21 | C20 | C15 | C14 | 0.9° | 0.6° |
| O21 | C20 | C15 | C16 | 178.9° | 179.7° |
| O21 | C20 | C19 | H9 | 0.7° | 0.3° |
| C20 | O21 | C22 | H24 | 98.2° | 60.0° |
| C20 | O21 | C22 | H25 | 22.3° | 60.0° |
| C20 | C19 | C18 | H9 | 180.0° | 179.6° |
| C20 | C19 | C18 | C17 | 0.5° | 0.4° |
| C19 | C20 | C15 | C14 | 179.6° | 179.8° |
| C19 | C20 | C15 | C16 | 0.2° | 0.0° |
| C20 | C19 | C18 | H8 | 179.5° | 179.6° |
| C18 | C19 | C20 | C15 | 0.7° | 0.4° |
| C19 | C18 | C17 | H8 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C19 | C18 | C17 | H7 | 179.8° | 180.0° |
| C20 | C15 | C14 | C16 | 179.8° | 179.8° |
| C20 | C15 | C14 | C13 | 165.3° | 160.5° |
| C20 | C15 | C16 | C17 | 0.5° | 0.4° |
| C20 | C15 | C16 | C25 | 178.7° | 179.4° |
| C15 | C20 | C19 | H9 | 179.3° | 180.0° |
| C20 | C15 | C14 | H22 | 44.7° | 40.2° |
| C20 | C15 | C14 | H23 | 74.2° | 79.1° |
| C18 | C17 | C16 | C15 | 0.7° | 0.5° |
| C18 | C17 | C16 | H7 | 180.0° | 179.9° |
| C18 | C17 | C16 | C25 | 179.0° | 179.4° |
| C17 | C18 | C19 | H9 | 179.5° | 180.0° |
| C15 | C14 | C13 | H22 | 120.6° | 120.3° |
| C15 | C14 | C13 | H23 | 120.6° | 120.3° |
| C14 | C15 | C16 | C17 | 179.8° | 179.4° |
| C14 | C15 | C16 | C25 | 1.5° | 0.8° |
| C15 | C14 | C13 | N12 | 44.0° | 47.3° |
| C15 | C14 | C13 | H20 | 75.8° | 166.9° |
| C15 | C14 | C13 | H21 | 163.9° | 72.3° |
| C15 | C14 | H22 | H23 | 118.3° | 119.3° |
| C16 | C15 | C14 | C13 | 14.5° | 19.7° |
| C15 | C16 | C17 | C25 | 178.4° | 179.8° |
| C15 | C16 | C25 | C27 | 110.1° | 108.9° |
| C15 | C16 | C25 | N12 | 13.6° | 11.2° |
| C15 | C16 | C17 | H7 | 179.3° | 179.6° |
| C16 | C15 | C14 | H22 | 135.1° | 140.0° |
| C16 | C15 | C14 | H23 | 106.1° | 100.7° |
| C15 | C16 | C25 | H27 | 131.5° | 131.2° |
| C14 | C13 | N12 | H20 | 119.8° | 119.6° |
| C14 | C13 | N12 | H21 | 119.8° | 119.6° |
| C14 | C13 | N12 | C25 | 63.6° | 64.3° |
| C14 | C13 | N12 | C10 | 117.1° | 115.8° |
| C14 | C13 | H20 | H21 | 120.5° | 120.8° |
| C13 | C14 | H22 | H23 | 118.3° | 119.3° |
| C17 | C16 | C25 | C27 | 71.6° | 70.9° |
| C17 | C16 | C25 | N12 | 164.7° | 169.0° |
| C16 | C17 | C18 | H8 | 179.8° | 179.9° |
| C17 | C16 | C25 | H27 | 46.9° | 48.9° |
| C16 | C25 | N12 | C13 | 47.2° | 44.4° |
| C16 | C25 | C27 | N12 | 123.4° | 120.2° |
| C16 | C25 | C27 | H27 | 118.6° | 119.9° |
| C16 | C25 | C27 | N28 | 178.7° | 175.0° |
| C16 | C25 | N12 | H27 | 117.7° | 120.1° |
| C16 | C25 | N12 | C10 | 133.5° | 135.7° |
| C25 | C16 | C17 | H7 | 1.0° | 0.5° |
| C16 | C25 | C27 | H12 | 61.5° | 64.9° |
| C16 | C25 | C27 | H13 | 59.0° | 55.0° |
| C13 | N12 | C25 | C27 | 77.5° | 75.7° |
| C13 | N12 | C25 | C10 | 179.3° | 179.9° |
| C13 | N12 | C10 | C8 | 0.6° | 0.0° |
| C13 | N12 | C10 | O11 | 179.4° | 180.0° |
| N12 | C13 | H20 | H21 | 120.5° | 120.8° |
| N12 | C13 | C14 | H22 | 164.6° | 167.7° |
| N12 | C13 | C14 | H23 | 76.5° | 73.0° |
| C13 | N12 | C25 | H27 | 164.9° | 164.5° |
| C25 | C27 | N28 | H12 | 119.7° | 120.1° |
| C25 | C27 | N28 | H13 | 119.8° | 120.0° |
| C27 | C25 | N12 | H27 | 117.6° | 119.8° |
| C27 | C25 | N12 | C10 | 101.8° | 104.3° |
| C25 | C27 | N28 | C29 | 89.8° | 90.0° |
| C25 | C27 | N28 | C37 | 89.5° | 89.5° |
| C25 | C27 | H12 | H13 | 120.8° | 120.0° |
| N28 | C27 | C25 | N12 | 55.4° | 54.8° |
| C27 | N28 | C29 | O30 | 0.1° | 0.1° |
| C27 | N28 | C29 | C37 | 179.4° | 179.5° |
| C27 | N28 | C29 | C31 | 179.2° | 179.9° |
| C27 | N28 | C37 | O38 | 0.4° | 0.2° |
| C27 | N28 | C37 | C36 | 179.3° | 179.8° |
| N28 | C27 | H12 | H13 | 120.8° | 120.0° |
| N28 | C27 | C25 | H27 | 62.6° | 65.1° |
| C25 | N12 | C10 | C8 | 178.6° | 180.0° |
| C25 | N12 | C10 | O11 | 0.1° | 0.0° |
| N12 | C25 | C27 | H12 | 175.1° | 174.8° |
| N12 | C25 | C27 | H13 | 64.4° | 65.2° |
| C25 | N12 | C13 | H20 | 56.2° | 176.1° |
| C25 | N12 | C13 | H21 | 176.6° | 55.3° |
| N12 | C10 | C8 | O11 | 178.7° | 180.0° |
| N12 | C10 | C8 | C4 | 102.8° | 147.5° |
| N12 | C10 | C8 | C7 | 159.7° | 115.0° |
| N12 | C10 | C8 | H6 | 31.2° | 16.2° |
| C10 | N12 | C13 | H20 | 123.1° | 3.8° |
| C10 | N12 | C13 | H21 | 2.7° | 124.6° |
| C10 | N12 | C25 | H27 | 15.8° | 15.6° |
| O30 | C29 | N28 | C31 | 179.4° | 180.0° |
| O30 | C29 | N28 | C37 | 179.6° | 179.6° |
| O30 | C29 | C31 | C36 | 179.6° | 179.6° |
| O30 | C29 | C31 | C32 | 0.2° | 0.1° |
| N1 | C2 | O3 | C4 | 178.8° | 179.7° |
| N1 | C2 | C4 | C8 | 112.1° | 80.2° |
| N1 | C2 | C4 | C6 | 147.0° | 177.7° |
| N1 | C2 | C4 | H1 | 18.0° | 51.1° |
| C2 | N1 | H18 | H19 | 180.0° | 180.0° |
| C29 | N28 | C37 | O38 | 179.9° | 179.7° |
| C29 | N28 | C37 | C36 | 0.1° | 0.3° |
| N28 | C29 | C31 | C36 | 0.2° | 0.4° |
| N28 | C29 | C31 | C32 | 179.6° | 179.9° |
| C29 | N28 | C27 | H12 | 150.4° | 30.1° |
| C29 | N28 | C27 | H13 | 29.9° | 150.0° |
| C37 | N28 | C29 | C31 | 0.2° | 0.4° |
| N28 | C37 | O38 | C36 | 179.7° | 180.0° |
| N28 | C37 | C36 | C31 | 0.0° | 0.0° |
| N28 | C37 | C36 | C35 | 179.7° | 180.0° |
| C37 | N28 | C27 | H12 | 30.2° | 150.5° |
| C37 | N28 | C27 | H13 | 150.7° | 30.6° |
| C29 | C31 | C36 | C37 | 0.1° | 0.2° |
| C29 | C31 | C36 | C32 | 179.8° | 179.8° |
| C29 | C31 | C36 | C35 | 179.9° | 179.8° |
| C29 | C31 | C32 | C33 | 179.9° | 179.7° |
| C29 | C31 | C32 | H14 | 0.1° | 0.3° |
| O3 | C2 | C4 | C8 | 69.0° | 99.5° |
| O3 | C2 | C4 | C6 | 31.8° | 2.1° |
| O3 | C2 | C4 | H1 | 160.8° | 129.2° |
| O3 | C2 | N1 | H18 | 0.0° | 0.0° |
| O3 | C2 | N1 | H19 | 180.0° | 180.0° |
| C2 | C4 | C8 | C10 | 31.9° | 25.4° |
| C2 | C4 | C8 | C6 | 117.4° | 114.5° |
| C2 | C4 | C8 | H1 | 130.4° | 130.9° |
| C2 | C4 | C8 | C7 | 145.8° | 140.0° |
| C2 | C4 | C6 | H1 | 129.2° | 130.9° |
| C2 | C4 | C6 | C7 | 147.2° | 139.9° |
| C2 | C4 | C6 | H2 | 97.2° | 105.5° |
| C2 | C4 | C6 | H3 | 31.6° | 25.4° |
| C2 | C4 | C8 | H6 | 102.3° | 105.5° |
| C4 | C2 | N1 | H18 | 178.9° | 179.7° |
| C4 | C2 | N1 | H19 | 1.1° | 0.3° |
| C10 | C8 | C4 | C7 | 113.9° | 114.6° |
| C10 | C8 | C4 | H6 | 134.3° | 130.9° |
| C10 | C8 | C7 | H6 | 128.7° | 130.9° |
| C10 | C8 | C4 | C6 | 85.5° | 89.1° |
| C10 | C8 | C7 | C6 | 91.2° | 89.2° |
| C10 | C8 | C4 | H1 | 162.4° | 156.3° |
| C10 | C8 | C7 | H4 | 24.9° | 156.4° |
| C10 | C8 | C7 | H5 | 152.8° | 25.5° |
| O11 | C10 | C8 | C4 | 78.4° | 32.5° |
| O11 | C10 | C8 | C7 | 19.1° | 65.0° |
| O11 | C10 | C8 | H6 | 147.5° | 163.8° |
| C4 | C8 | C7 | H6 | 111.8° | 114.6° |
| C8 | C4 | C6 | H1 | 112.0° | 114.6° |
| C4 | C8 | C7 | C6 | 28.3° | 25.4° |
| C8 | C4 | C6 | H2 | 144.1° | 140.0° |
| C8 | C4 | C6 | H3 | 87.2° | 89.1° |
| C4 | C8 | C7 | H4 | 144.4° | 89.1° |
| C4 | C8 | C7 | H5 | 87.7° | 140.0° |
| C8 | C7 | C6 | H4 | 116.0° | 114.5° |
| C8 | C7 | C6 | H5 | 116.1° | 114.6° |
| C7 | C8 | C4 | H1 | 83.7° | 89.2° |
| C8 | C7 | C6 | H2 | 144.1° | 140.0° |
| C8 | C7 | C6 | H3 | 87.2° | 89.1° |
| C8 | C7 | H4 | H5 | 130.5° | 131.3° |
| O38 | C37 | C36 | C31 | 179.7° | 180.0° |
| O38 | C37 | C36 | C35 | 0.0° | 0.0° |
| C37 | C36 | C31 | C35 | 179.8° | 180.0° |
| C37 | C36 | C31 | C32 | 179.7° | 180.0° |
| C37 | C36 | C35 | C34 | 179.8° | 180.0° |
| C37 | C36 | C35 | H17 | 0.2° | 0.1° |
| C4 | C6 | C7 | H2 | 115.6° | 114.6° |
| C4 | C6 | C7 | H3 | 115.6° | 114.5° |
| C4 | C6 | H2 | H3 | 131.5° | 131.2° |
| C4 | C6 | C7 | H4 | 144.5° | 89.1° |
| C4 | C6 | C7 | H5 | 87.6° | 140.1° |
| C6 | C4 | C8 | H6 | 140.2° | 140.0° |
| C36 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C31 | C32 | H14 | 179.8° | 180.0° |
| C31 | C36 | C35 | H17 | 179.9° | 179.9° |
| C32 | C31 | C36 | C35 | 0.0° | 0.0° |
| C31 | C32 | C33 | H14 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C31 | C32 | C33 | H15 | 179.9° | 180.0° |
| C36 | C35 | C34 | H17 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.1° | 0.1° |
| C36 | C35 | C34 | H16 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.1° |
| C32 | C33 | C34 | H15 | 180.0° | 179.9° |
| C32 | C33 | C34 | H16 | 180.0° | 180.0° |
| C7 | C6 | C4 | H1 | 83.6° | 89.2° |
| C7 | C6 | H2 | H3 | 131.5° | 131.3° |
| C6 | C7 | H4 | H5 | 130.5° | 131.2° |
| C6 | C7 | C8 | H6 | 140.1° | 140.0° |
| C35 | C34 | C33 | H16 | 180.0° | 179.9° |
| C35 | C34 | C33 | H15 | 180.0° | 180.0° |
| C34 | C33 | C32 | H14 | 179.9° | 180.0° |
| C33 | C34 | C35 | H17 | 179.9° | 179.9° |
| H1 | C4 | C6 | H2 | 32.1° | 25.4° |
| H1 | C4 | C6 | H3 | 160.8° | 156.2° |
| H1 | C4 | C8 | H6 | 28.1° | 25.4° |
| H2 | C6 | C7 | H4 | 99.9° | 25.5° |
| H2 | C6 | C7 | H5 | 28.0° | 105.4° |
| H3 | C6 | C7 | H4 | 28.8° | 156.4° |
| H3 | C6 | C7 | H5 | 156.8° | 25.5° |
| H4 | C7 | C8 | H6 | 103.8° | 25.5° |
| H5 | C7 | C8 | H6 | 24.1° | 105.4° |
| H7 | C17 | C18 | H8 | 0.2° | 0.0° |
| H8 | C18 | C19 | H9 | 0.5° | 0.0° |
| H10 | C23 | C22 | H24 | 159.4° | 55.0° |
| H10 | C23 | C22 | H25 | 39.0° | 65.0° |
| H10 | C23 | O24 | H26 | 60.5° | 60.0° |
| H11 | C23 | C22 | H24 | 79.6° | 65.0° |
| H11 | C23 | C22 | H25 | 160.0° | 175.0° |
| H11 | C23 | O24 | H26 | 60.5° | 60.0° |
| H12 | C27 | C25 | H27 | 57.1° | 55.0° |
| H13 | C27 | C25 | H27 | 177.6° | 174.9° |
| H14 | C32 | C33 | H15 | 0.2° | 0.0° |
| H15 | C33 | C34 | H16 | 0.0° | 0.1° |
| H16 | C34 | C35 | H17 | 0.1° | 0.0° |
| H20 | C13 | C14 | H22 | 44.8° | 72.7° |
| H20 | C13 | C14 | H23 | 163.6° | 46.6° |
| H21 | C13 | C14 | H22 | 75.6° | 48.1° |
| H21 | C13 | C14 | H23 | 43.3° | 167.4° |
