ED9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C9 | sing | 1.53Å | 1.64Å | |
| C11 | C12 | sing | 1.54Å | 1.60Å | |
| C9 | C8 | sing | 1.52Å | 1.60Å | |
| C12 | C13 | sing | 1.51Å | 1.65Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.59Å | |
| C4 | C5 | sing | 1.52Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.58Å | |
| C3 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | C5 | doub | 1.35Å | 1.30Å | |
| C6 | C7 | sing | 1.47Å | 1.49Å | |
| C5 | C10 | sing | 1.48Å | 1.55Å | |
| C18 | C13 | sing | 1.53Å | 1.67Å | |
| C8 | C7 | doub | 1.33Å | 1.30Å | |
| C8 | C14 | sing | 1.50Å | 1.51Å | |
| C13 | C14 | sing | 1.55Å | 1.61Å | |
| C13 | C17 | sing | 1.52Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.58Å | |
| C25 | C24 | sing | 1.53Å | 1.50Å | |
| C25 | O3 | sing | 1.43Å | 1.40Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | O4 | sing | 1.43Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C2 | O4 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C20 | C17 | sing | 1.53Å | 1.59Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C10 | C19 | doub | 1.33Å | 1.32Å | |
| C10 | C1 | sing | 1.52Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.66Å | |
| C17 | C16 | sing | 1.54Å | 1.57Å | |
| C30 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C15 | C16 | sing | 1.55Å | 1.58Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| O1 | H41 | sing | 0.97Å | 0.95Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| O5 | H48 | sing | 0.97Å | 0.95Å | |
| C23 | H49 | sing | 1.09Å | 1.10Å | |
| C24 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C11 | C12 | 108.8° | 111.8° |
| C11 | C9 | C8 | 112.0° | 110.7° |
| C11 | C9 | H10 | 108.8° | 109.2° |
| C11 | C9 | H11 | 108.9° | 109.2° |
| C9 | C11 | H12 | 109.6° | 109.0° |
| C9 | C11 | H13 | 109.6° | 109.0° |
| C11 | C12 | C13 | 115.6° | 107.6° |
| C12 | C11 | H12 | 109.6° | 109.0° |
| C12 | C11 | H13 | 109.6° | 109.0° |
| C11 | C12 | H14 | 107.9° | 109.8° |
| C11 | C12 | H15 | 107.9° | 109.8° |
| C9 | C8 | C7 | 123.4° | 122.4° |
| C9 | C8 | C14 | 113.3° | 115.2° |
| C8 | C9 | H10 | 108.9° | 109.2° |
| C8 | C9 | H11 | 108.8° | 109.2° |
| C12 | C13 | C18 | 105.7° | 109.3° |
| C12 | C13 | C14 | 106.1° | 107.7° |
| C12 | C13 | C17 | 116.4° | 118.4° |
| C13 | C12 | H14 | 107.9° | 109.8° |
| C13 | C12 | H15 | 107.9° | 109.9° |
| C26 | C25 | C27 | 110.3° | 109.5° |
| C26 | C25 | C24 | 106.4° | 109.5° |
| C26 | C25 | O3 | 111.6° | 109.5° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C25 | C26 | H37 | 109.4° | 109.4° |
| C3 | C4 | C5 | 114.4° | 108.4° |
| C4 | C3 | C2 | 111.1° | 109.8° |
| C4 | C3 | O2 | 109.3° | 109.4° |
| C4 | C3 | H5 | 108.9° | 109.4° |
| C3 | C4 | H6 | 108.2° | 109.7° |
| C3 | C4 | H7 | 108.2° | 109.7° |
| C4 | C5 | C6 | 124.9° | 121.7° |
| C4 | C5 | C10 | 114.8° | 116.7° |
| C5 | C4 | H6 | 108.2° | 109.7° |
| C5 | C4 | H7 | 108.2° | 109.6° |
| C2 | C3 | O2 | 107.6° | 109.4° |
| C3 | C2 | O4 | 109.1° | 109.5° |
| C3 | C2 | C1 | 110.9° | 109.8° |
| C3 | C2 | H4 | 108.9° | 109.4° |
| C2 | C3 | H5 | 109.1° | 109.4° |
| C3 | O2 | H1 | 109.5° | 114.0° |
| O2 | C3 | H5 | 110.8° | 109.4° |
| C5 | C6 | C7 | 131.4° | 120.0° |
| C6 | C5 | C10 | 120.2° | 121.6° |
| C5 | C6 | H8 | 114.3° | 120.0° |
| C6 | C7 | C8 | 124.0° | 120.0° |
| C7 | C6 | H8 | 114.3° | 120.0° |
| C6 | C7 | H9 | 118.0° | 120.0° |
| C5 | C10 | C19 | 122.0° | 121.6° |
| C5 | C10 | C1 | 116.5° | 116.7° |
| C18 | C13 | C14 | 112.4° | 109.0° |
| C18 | C13 | C17 | 118.0° | 108.8° |
| C13 | C18 | H22 | 109.5° | 109.5° |
| C13 | C18 | H23 | 109.5° | 109.5° |
| C13 | C18 | H24 | 109.5° | 109.5° |
| C7 | C8 | C14 | 123.2° | 122.4° |
| C8 | C7 | H9 | 118.0° | 120.0° |
| C8 | C14 | C13 | 109.8° | 105.8° |
| C8 | C14 | C15 | 119.1° | 116.7° |
| C8 | C14 | H16 | 110.3° | 110.7° |
| C14 | C13 | C17 | 97.6° | 103.3° |
| C13 | C14 | C15 | 99.8° | 101.1° |
| C13 | C14 | H16 | 108.9° | 110.8° |
| C13 | C17 | C20 | 110.1° | 110.3° |
| C13 | C17 | C16 | 105.3° | 105.0° |
| C13 | C17 | H21 | 107.5° | 110.3° |
| C27 | C25 | C24 | 111.0° | 109.5° |
| C27 | C25 | O3 | 106.8° | 109.4° |
| C25 | C27 | H38 | 109.5° | 109.5° |
| C25 | C27 | H39 | 109.5° | 109.5° |
| C25 | C27 | H40 | 109.4° | 109.5° |
| C24 | C25 | O3 | 110.7° | 109.5° |
| C25 | C24 | C23 | 118.8° | 109.5° |
| C25 | C24 | H34 | 107.1° | 109.5° |
| C25 | C24 | H50 | 107.1° | 109.5° |
| C25 | O3 | H2 | 109.5° | 114.0° |
| C29 | C28 | O4 | 105.0° | 109.5° |
| C28 | C29 | C30 | 104.3° | 109.5° |
| C29 | C28 | H42 | 110.6° | 109.5° |
| C29 | C28 | H43 | 110.6° | 109.4° |
| C28 | C29 | H44 | 110.8° | 109.5° |
| C28 | C29 | H45 | 110.8° | 109.4° |
| C28 | O4 | C2 | 111.9° | 114.0° |
| O4 | C28 | H42 | 110.6° | 109.5° |
| O4 | C28 | H43 | 110.6° | 109.5° |
| C24 | C23 | C22 | 115.1° | 109.5° |
| C24 | C23 | H33 | 108.0° | 109.5° |
| C23 | C24 | H34 | 107.1° | 109.5° |
| C24 | C23 | H49 | 108.0° | 109.4° |
| C23 | C24 | H50 | 107.1° | 109.4° |
| C23 | C22 | C20 | 111.8° | 109.5° |
| C23 | C22 | H31 | 108.9° | 109.5° |
| C23 | C22 | H32 | 108.9° | 109.4° |
| C22 | C23 | H33 | 108.0° | 109.5° |
| C22 | C23 | H49 | 108.0° | 109.4° |
| C29 | C30 | O5 | 109.1° | 109.4° |
| C30 | C29 | H44 | 110.8° | 109.5° |
| C30 | C29 | H45 | 110.7° | 109.5° |
| C29 | C30 | H46 | 109.5° | 109.5° |
| C29 | C30 | H47 | 109.6° | 109.5° |
| O4 | C2 | C1 | 107.6° | 109.4° |
| O4 | C2 | H4 | 111.0° | 109.4° |
| C2 | C1 | C10 | 109.8° | 108.4° |
| C2 | C1 | O1 | 111.0° | 109.7° |
| C2 | C1 | H3 | 107.1° | 109.7° |
| C1 | C2 | H4 | 109.4° | 109.4° |
| C17 | C20 | C22 | 116.0° | 109.5° |
| C17 | C20 | C21 | 106.1° | 109.5° |
| C20 | C17 | C16 | 119.5° | 109.8° |
| C20 | C17 | H21 | 106.8° | 110.4° |
| C17 | C20 | H27 | 110.3° | 109.5° |
| C22 | C20 | C21 | 102.9° | 109.5° |
| C22 | C20 | H27 | 110.9° | 109.4° |
| C20 | C22 | H31 | 108.9° | 109.5° |
| C20 | C22 | H32 | 108.9° | 109.5° |
| C21 | C20 | H27 | 110.1° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.4° |
| C20 | C21 | H30 | 109.5° | 109.5° |
| C19 | C10 | C1 | 121.3° | 121.7° |
| C10 | C19 | H25 | 120.0° | 120.0° |
| C10 | C19 | H26 | 120.0° | 120.0° |
| C10 | C1 | O1 | 113.4° | 109.7° |
| C10 | C1 | H3 | 107.0° | 109.7° |
| C14 | C15 | C16 | 101.3° | 102.8° |
| C15 | C14 | H16 | 108.2° | 111.1° |
| C14 | C15 | H17 | 111.5° | 110.8° |
| C14 | C15 | H18 | 111.5° | 110.7° |
| C17 | C16 | C15 | 106.4° | 106.4° |
| C17 | C16 | H19 | 110.2° | 110.4° |
| C17 | C16 | H20 | 110.2° | 109.6° |
| C16 | C17 | H21 | 107.1° | 110.9° |
| O5 | C30 | H46 | 109.6° | 109.5° |
| O5 | C30 | H47 | 109.6° | 109.5° |
| C30 | O5 | H48 | 109.5° | 114.0° |
| O1 | C1 | H3 | 108.2° | 109.7° |
| C1 | O1 | H41 | 109.5° | 114.0° |
| C16 | C15 | H17 | 111.5° | 110.8° |
| C16 | C15 | H18 | 111.5° | 110.7° |
| C15 | C16 | H19 | 110.2° | 110.1° |
| C15 | C16 | H20 | 110.2° | 110.1° |
| H6 | C4 | H7 | 109.5° | 109.7° |
| H10 | C9 | H11 | 109.5° | 109.3° |
| H12 | C11 | H13 | 109.5° | 109.0° |
| H14 | C12 | H15 | 109.5° | 109.9° |
| H17 | C15 | H18 | 109.5° | 110.8° |
| H19 | C16 | H20 | 109.5° | 110.0° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H24 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C19 | H26 | 120.0° | 120.0° |
| H28 | C21 | H29 | 109.5° | 109.4° |
| H28 | C21 | H30 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.4° |
| H33 | C23 | H49 | 109.5° | 109.5° |
| H34 | C24 | H50 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.4° | 109.5° |
| H35 | C26 | H37 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.4° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H38 | C27 | H40 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.4° |
| H42 | C28 | H43 | 109.4° | 109.5° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| H46 | C30 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C11 | C12 | H12 | 119.9° | 120.6° |
| C9 | C11 | C12 | H13 | 119.9° | 120.6° |
| C11 | C9 | C8 | H10 | 120.4° | 120.3° |
| C11 | C9 | C8 | H11 | 120.4° | 120.3° |
| C9 | C11 | C12 | C13 | 49.6° | 59.0° |
| C11 | C9 | C8 | C7 | 120.5° | 129.8° |
| C11 | C9 | C8 | C14 | 56.4° | 50.0° |
| C11 | C9 | H10 | H11 | 118.9° | 119.4° |
| C9 | C11 | H12 | H13 | 120.3° | 118.8° |
| C9 | C11 | C12 | H14 | 71.3° | 60.5° |
| C9 | C11 | C12 | H15 | 170.5° | 178.6° |
| C12 | C11 | C9 | C8 | 46.3° | 48.6° |
| C11 | C12 | C13 | H14 | 120.9° | 119.5° |
| C11 | C12 | C13 | H15 | 120.9° | 119.5° |
| C11 | C12 | C13 | C18 | 63.1° | 50.3° |
| C11 | C12 | C13 | C14 | 56.5° | 67.9° |
| C11 | C12 | C13 | C17 | 163.8° | 175.6° |
| C12 | C11 | C9 | H10 | 166.7° | 71.7° |
| C12 | C11 | C9 | H11 | 74.0° | 168.9° |
| C12 | C11 | H12 | H13 | 120.3° | 118.9° |
| C11 | C12 | H14 | H15 | 117.2° | 120.9° |
| C9 | C8 | C7 | C6 | 2.7° | 0.2° |
| C9 | C8 | C7 | C14 | 176.6° | 179.8° |
| C9 | C8 | C14 | C13 | 64.4° | 57.9° |
| C9 | C8 | C14 | C15 | 178.4° | 169.4° |
| C9 | C8 | C7 | H9 | 177.3° | 179.7° |
| C8 | C9 | H10 | H11 | 118.8° | 119.4° |
| C8 | C9 | C11 | H12 | 166.2° | 169.2° |
| C8 | C9 | C11 | H13 | 73.6° | 72.0° |
| C9 | C8 | C14 | H16 | 55.6° | 62.2° |
| C12 | C13 | C18 | C14 | 115.3° | 117.4° |
| C12 | C13 | C18 | C17 | 132.3° | 130.6° |
| C12 | C13 | C14 | C8 | 61.2° | 66.3° |
| C12 | C13 | C14 | C17 | 120.4° | 126.0° |
| C12 | C13 | C17 | C20 | 69.0° | 92.2° |
| C12 | C13 | C14 | C15 | 172.8° | 171.6° |
| C12 | C13 | C17 | C16 | 160.9° | 149.5° |
| C13 | C12 | C11 | H12 | 169.5° | 179.6° |
| C13 | C12 | C11 | H13 | 70.3° | 61.5° |
| C13 | C12 | H14 | H15 | 117.2° | 121.0° |
| C12 | C13 | C14 | H16 | 59.6° | 53.8° |
| C12 | C13 | C17 | H21 | 47.0° | 30.0° |
| C12 | C13 | C18 | H22 | 180.0° | 66.2° |
| C12 | C13 | C18 | H23 | 60.0° | 173.8° |
| C12 | C13 | C18 | H24 | 60.0° | 53.9° |
| C26 | C25 | C27 | C24 | 117.8° | 120.0° |
| C26 | C25 | C27 | O3 | 121.5° | 120.0° |
| C26 | C25 | C24 | O3 | 121.5° | 120.0° |
| C26 | C25 | C24 | C23 | 60.5° | NaN° |
| C26 | C25 | O3 | H2 | 180.0° | 60.0° |
| C26 | C25 | C24 | H34 | 178.2° | 60.0° |
| C25 | C26 | H35 | H36 | 120.0° | 120.0° |
| C25 | C26 | H35 | H37 | 120.0° | 120.0° |
| C25 | C26 | H36 | H37 | 120.0° | 119.9° |
| C26 | C25 | C27 | H38 | 180.0° | 60.0° |
| C26 | C25 | C27 | H39 | 60.0° | 60.0° |
| C26 | C25 | C27 | H40 | 60.0° | 180.0° |
| C26 | C25 | C24 | H50 | 60.9° | 60.0° |
| C3 | C4 | C5 | H6 | 120.7° | 119.8° |
| C3 | C4 | C5 | H7 | 120.7° | 119.7° |
| C4 | C3 | C2 | O2 | 119.7° | 120.0° |
| C4 | C3 | C2 | H5 | 120.1° | 120.1° |
| C4 | C3 | O2 | H5 | 120.0° | 119.8° |
| C3 | C4 | C5 | C6 | 142.8° | 133.4° |
| C3 | C4 | C5 | C10 | 40.1° | 46.7° |
| C4 | C3 | C2 | O4 | 176.0° | 53.9° |
| C4 | C3 | C2 | C1 | 57.6° | 66.3° |
| C4 | C3 | O2 | H1 | 180.0° | 59.7° |
| C4 | C3 | C2 | H4 | 62.7° | 173.7° |
| C3 | C4 | H6 | H7 | 117.8° | 120.6° |
| C5 | C4 | C3 | C2 | 48.3° | 57.7° |
| C5 | C4 | C3 | O2 | 70.4° | 177.8° |
| C4 | C5 | C6 | C10 | 177.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C10 | C19 | 134.3° | 137.0° |
| C4 | C5 | C10 | C1 | 42.0° | 43.1° |
| C5 | C4 | C3 | H5 | 168.5° | 62.3° |
| C5 | C4 | H6 | H7 | 117.8° | 120.5° |
| C4 | C5 | C6 | H8 | 0.1° | 0.0° |
| C2 | C3 | O2 | H5 | 119.2° | 119.9° |
| C3 | C2 | O4 | C28 | 77.1° | 149.7° |
| C3 | C2 | O4 | C1 | 120.4° | 120.4° |
| C3 | C2 | O4 | H4 | 120.0° | 119.8° |
| C3 | C2 | C1 | H4 | 120.1° | 120.0° |
| C3 | C2 | C1 | C10 | 58.0° | 57.8° |
| C3 | C2 | C1 | O1 | 175.9° | 62.0° |
| C2 | C3 | O2 | H1 | 59.2° | 180.0° |
| C3 | C2 | C1 | H3 | 57.9° | 177.5° |
| C2 | C3 | C4 | H6 | 169.0° | 62.0° |
| C2 | C3 | C4 | H7 | 72.4° | 177.4° |
| O2 | C3 | C2 | O4 | 56.3° | 66.2° |
| O2 | C3 | C2 | C1 | 62.0° | 173.7° |
| O2 | C3 | C2 | H4 | 177.6° | 53.6° |
| O2 | C3 | C4 | H6 | 50.3° | 58.0° |
| O2 | C3 | C4 | H7 | 168.9° | 62.5° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 157.6° | 180.0° |
| C6 | C5 | C10 | C19 | 43.0° | 43.0° |
| C6 | C5 | C10 | C1 | 140.7° | 136.9° |
| C6 | C5 | C4 | H6 | 22.1° | 106.8° |
| C6 | C5 | C4 | H7 | 96.5° | 13.7° |
| C5 | C6 | C7 | H9 | 22.4° | 0.0° |
| C7 | C6 | C5 | C10 | 2.9° | 0.0° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C14 | 179.3° | 180.0° |
| C5 | C10 | C1 | C2 | 50.5° | 46.6° |
| C5 | C10 | C19 | C1 | 176.1° | 179.9° |
| C5 | C10 | C1 | O1 | 175.4° | 73.1° |
| C5 | C10 | C1 | H3 | 65.4° | 166.4° |
| C10 | C5 | C4 | H6 | 160.8° | 73.1° |
| C10 | C5 | C4 | H7 | 80.6° | 166.4° |
| C10 | C5 | C6 | H8 | 177.1° | 179.9° |
| C5 | C10 | C19 | H25 | 176.1° | 0.1° |
| C5 | C10 | C19 | H26 | 3.9° | 180.0° |
| C18 | C13 | C14 | C8 | 53.9° | 52.1° |
| C18 | C13 | C14 | C17 | 124.6° | 115.6° |
| C18 | C13 | C17 | C20 | 58.3° | 33.2° |
| C18 | C13 | C14 | C15 | 72.1° | 69.9° |
| C18 | C13 | C17 | C16 | 71.8° | 85.0° |
| C18 | C13 | C12 | H14 | 176.1° | 169.9° |
| C18 | C13 | C12 | H15 | 57.8° | 69.2° |
| C18 | C13 | C14 | H16 | 174.7° | 172.2° |
| C18 | C13 | C17 | H21 | 174.3° | 155.4° |
| C13 | C18 | H22 | H23 | 120.0° | 120.0° |
| C13 | C18 | H22 | H24 | 120.0° | 120.1° |
| C13 | C18 | H23 | H24 | 120.0° | 120.0° |
| C7 | C8 | C14 | C13 | 112.5° | 121.9° |
| C7 | C8 | C14 | C15 | 1.5° | 10.4° |
| C8 | C7 | C6 | H8 | 22.4° | 0.0° |
| C7 | C8 | C9 | H10 | 0.1° | 109.9° |
| C7 | C8 | C9 | H11 | 119.1° | 9.5° |
| C7 | C8 | C14 | H16 | 127.5° | 118.0° |
| C8 | C14 | C13 | C15 | 125.9° | 122.1° |
| C8 | C14 | C13 | H16 | 120.8° | 120.1° |
| C8 | C14 | C13 | C17 | 178.4° | 167.7° |
| C8 | C14 | C15 | H16 | 127.0° | 128.2° |
| C8 | C14 | C15 | C16 | 156.7° | 156.2° |
| C14 | C8 | C7 | H9 | 0.7° | 0.0° |
| C14 | C8 | C9 | H10 | 176.8° | 70.3° |
| C14 | C8 | C9 | H11 | 64.0° | 170.2° |
| C8 | C14 | C15 | H17 | 38.1° | 37.9° |
| C8 | C14 | C15 | H18 | 84.6° | 85.5° |
| C14 | C13 | C17 | C20 | 178.7° | 149.0° |
| C13 | C14 | C15 | H16 | 113.8° | 117.6° |
| C14 | C13 | C17 | C16 | 48.7° | 30.7° |
| C13 | C14 | C15 | C16 | 37.5° | 42.0° |
| C14 | C13 | C12 | H14 | 64.4° | 51.6° |
| C14 | C13 | C12 | H15 | 177.4° | 172.6° |
| C13 | C14 | C15 | H17 | 81.2° | 76.3° |
| C13 | C14 | C15 | H18 | 156.1° | 160.3° |
| C14 | C13 | C17 | H21 | 65.2° | 88.8° |
| C14 | C13 | C18 | H22 | 64.7° | 51.3° |
| C14 | C13 | C18 | H23 | 175.3° | 68.7° |
| C14 | C13 | C18 | H24 | 55.3° | 171.3° |
| C13 | C17 | C20 | C16 | 122.0° | 115.3° |
| C13 | C17 | C20 | H21 | 116.5° | 122.2° |
| C13 | C17 | C20 | C22 | 89.1° | 174.2° |
| C13 | C17 | C20 | C21 | 157.3° | 65.8° |
| C17 | C13 | C14 | C15 | 52.5° | 45.6° |
| C13 | C17 | C16 | H21 | 114.3° | 119.2° |
| C13 | C17 | C16 | C15 | 25.3° | 4.5° |
| C17 | C13 | C12 | H14 | 42.9° | 64.9° |
| C17 | C13 | C12 | H15 | 75.3° | 56.1° |
| C17 | C13 | C14 | H16 | 60.7° | 72.2° |
| C13 | C17 | C16 | H19 | 144.8° | 115.0° |
| C13 | C17 | C16 | H20 | 94.2° | 123.5° |
| C17 | C13 | C18 | H22 | 47.8° | 163.2° |
| C17 | C13 | C18 | H23 | 72.2° | 43.2° |
| C17 | C13 | C18 | H24 | 167.7° | 76.7° |
| C13 | C17 | C20 | H27 | 38.0° | 54.2° |
| C27 | C25 | C24 | O3 | 118.4° | 120.0° |
| C27 | C25 | C24 | C23 | 179.4° | 60.0° |
| C27 | C25 | O3 | H2 | 59.3° | 180.0° |
| C27 | C25 | C24 | H34 | 58.1° | 60.0° |
| C27 | C25 | C26 | H35 | 180.0° | 60.0° |
| C27 | C25 | C26 | H36 | 60.0° | 179.9° |
| C27 | C25 | C26 | H37 | 60.0° | 60.0° |
| C25 | C27 | H38 | H39 | 120.0° | 120.0° |
| C25 | C27 | H38 | H40 | 120.0° | 120.0° |
| C25 | C27 | H39 | H40 | 119.9° | 120.0° |
| C27 | C25 | C24 | H50 | 59.2° | 180.0° |
| C25 | C24 | C23 | H34 | 121.3° | 120.0° |
| C25 | C24 | C23 | H50 | 121.3° | 120.0° |
| C25 | C24 | C23 | C22 | 161.8° | 180.0° |
| C24 | C25 | O3 | H2 | 61.6° | 60.0° |
| C25 | C24 | C23 | H33 | 77.4° | 60.0° |
| C25 | C24 | H34 | H50 | 115.8° | 120.0° |
| C24 | C25 | C26 | H35 | 59.5° | 60.0° |
| C24 | C25 | C26 | H36 | 60.5° | 60.1° |
| C24 | C25 | C26 | H37 | 179.5° | 180.0° |
| C24 | C25 | C27 | H38 | 62.2° | 60.0° |
| C24 | C25 | C27 | H39 | 177.7° | 180.0° |
| C24 | C25 | C27 | H40 | 57.8° | 60.0° |
| C25 | C24 | C23 | H49 | 41.0° | 60.0° |
| O3 | C25 | C24 | C23 | 61.0° | 60.0° |
| O3 | C25 | C24 | H34 | 60.3° | 180.0° |
| O3 | C25 | C26 | H35 | 61.4° | 180.0° |
| O3 | C25 | C26 | H36 | 178.6° | 60.0° |
| O3 | C25 | C26 | H37 | 58.6° | 59.9° |
| O3 | C25 | C27 | H38 | 58.5° | 180.0° |
| O3 | C25 | C27 | H39 | 61.5° | 60.0° |
| O3 | C25 | C27 | H40 | 178.5° | 60.0° |
| O3 | C25 | C24 | H50 | 177.6° | 60.0° |
| C29 | C28 | O4 | H42 | 119.3° | 120.0° |
| C29 | C28 | O4 | H43 | 119.3° | 119.9° |
| C28 | C29 | C30 | H44 | 119.2° | 120.0° |
| C28 | C29 | C30 | H45 | 119.2° | 119.9° |
| C29 | C28 | O4 | C2 | 88.7° | 180.0° |
| C28 | C29 | C30 | O5 | 151.3° | 180.0° |
| C29 | C28 | H42 | H43 | 122.1° | 119.9° |
| C28 | C29 | H44 | H45 | 122.4° | 119.9° |
| C28 | C29 | C30 | H46 | 88.8° | 60.0° |
| C28 | C29 | C30 | H47 | 31.3° | 60.0° |
| O4 | C28 | C29 | C30 | 94.2° | 180.0° |
| C28 | O4 | C2 | C1 | 162.5° | 90.0° |
| C28 | O4 | C2 | H4 | 42.9° | 29.9° |
| O4 | C28 | H42 | H43 | 122.0° | 120.0° |
| O4 | C28 | C29 | H44 | 24.9° | 60.0° |
| O4 | C28 | C29 | H45 | 146.6° | 60.0° |
| C24 | C23 | C22 | H33 | 120.8° | 120.1° |
| C24 | C23 | C22 | H49 | 120.8° | 120.0° |
| C24 | C23 | C22 | C20 | 167.8° | 180.0° |
| C24 | C23 | C22 | H31 | 71.9° | 59.9° |
| C24 | C23 | C22 | H32 | 47.4° | 60.0° |
| C24 | C23 | H33 | H49 | 117.4° | 120.0° |
| C23 | C24 | H34 | H50 | 115.8° | 120.0° |
| C23 | C22 | C20 | C17 | 163.2° | 175.0° |
| C23 | C22 | C20 | H31 | 120.3° | 120.1° |
| C23 | C22 | C20 | H32 | 120.4° | 120.0° |
| C23 | C22 | C20 | C21 | 81.4° | 65.0° |
| C23 | C22 | C20 | H27 | 36.4° | 55.0° |
| C23 | C22 | H31 | H32 | 118.9° | 119.9° |
| C22 | C23 | H33 | H49 | 117.4° | 120.0° |
| C22 | C23 | C24 | H34 | 40.5° | 59.9° |
| C22 | C23 | C24 | H50 | 76.9° | 60.0° |
| C29 | C30 | O5 | H46 | 119.9° | 120.0° |
| C29 | C30 | O5 | H47 | 120.0° | 120.0° |
| C30 | C29 | C28 | H42 | 25.0° | 60.0° |
| C30 | C29 | C28 | H43 | 146.5° | 60.0° |
| C30 | C29 | H44 | H45 | 122.4° | 120.0° |
| C29 | C30 | H46 | H47 | 120.2° | 120.0° |
| C29 | C30 | O5 | H48 | 180.0° | 180.0° |
| O4 | C2 | C1 | H4 | 120.6° | 119.8° |
| O4 | C2 | C1 | C10 | 177.2° | 62.4° |
| O4 | C2 | C1 | O1 | 56.6° | 177.8° |
| O4 | C2 | C1 | H3 | 61.4° | 57.3° |
| O4 | C2 | C3 | H5 | 63.9° | 173.9° |
| C2 | O4 | C28 | H42 | 152.0° | 60.0° |
| C2 | O4 | C28 | H43 | 30.6° | 60.1° |
| C2 | C1 | C10 | C19 | 125.8° | 133.5° |
| C2 | C1 | C10 | O1 | 124.8° | 119.8° |
| C2 | C1 | C10 | H3 | 115.9° | 119.8° |
| C2 | C1 | O1 | H3 | 117.3° | 120.6° |
| C1 | C2 | C3 | H5 | 177.8° | 53.8° |
| C2 | C1 | O1 | H41 | 180.0° | 179.4° |
| C17 | C20 | C22 | C21 | 115.4° | 120.0° |
| C17 | C20 | C22 | H27 | 126.9° | 120.0° |
| C17 | C20 | C21 | H27 | 119.4° | 120.1° |
| C20 | C17 | C16 | H21 | 121.4° | 122.2° |
| C20 | C17 | C16 | C15 | 149.6° | 123.1° |
| C20 | C17 | C16 | H19 | 90.9° | 3.6° |
| C20 | C17 | C16 | H20 | 30.1° | 117.9° |
| C17 | C20 | C21 | H28 | 180.0° | 56.2° |
| C17 | C20 | C21 | H29 | 60.0° | 63.8° |
| C17 | C20 | C21 | H30 | 60.0° | 176.2° |
| C17 | C20 | C22 | H31 | 76.4° | 55.0° |
| C17 | C20 | C22 | H32 | 42.9° | 65.0° |
| C22 | C20 | C21 | H27 | 118.3° | 120.0° |
| C22 | C20 | C17 | C16 | 32.9° | 58.9° |
| C22 | C20 | C17 | H21 | 154.4° | 63.6° |
| C22 | C20 | C21 | H28 | 57.7° | 63.8° |
| C22 | C20 | C21 | H29 | 62.3° | 176.2° |
| C22 | C20 | C21 | H30 | 177.7° | 56.2° |
| C20 | C22 | H31 | H32 | 119.0° | 120.0° |
| C20 | C22 | C23 | H33 | 46.9° | 59.9° |
| C20 | C22 | C23 | H49 | 71.4° | 60.0° |
| C21 | C20 | C17 | C16 | 80.7° | 178.9° |
| C21 | C20 | C17 | H21 | 40.8° | 56.4° |
| C20 | C21 | H28 | H29 | 120.0° | 119.9° |
| C20 | C21 | H28 | H30 | 120.0° | 120.0° |
| C20 | C21 | H29 | H30 | 120.0° | 120.0° |
| C21 | C20 | C22 | H31 | 39.0° | 175.0° |
| C21 | C20 | C22 | H32 | 158.3° | 55.0° |
| C19 | C10 | C1 | O1 | 1.0° | 106.8° |
| C19 | C10 | C1 | H3 | 118.3° | 13.7° |
| C10 | C19 | H25 | H26 | 180.0° | 180.0° |
| C10 | C1 | O1 | H3 | 118.6° | 120.5° |
| C10 | C1 | C2 | H4 | 62.1° | 177.8° |
| C1 | C10 | C19 | H25 | 0.0° | 180.0° |
| C1 | C10 | C19 | H26 | 180.0° | 0.1° |
| C10 | C1 | O1 | H41 | 55.9° | 60.5° |
| C14 | C15 | C16 | C17 | 8.6° | 23.7° |
| C14 | C15 | C16 | H17 | 118.7° | 118.3° |
| C14 | C15 | C16 | H18 | 118.7° | 118.3° |
| C14 | C15 | H17 | H18 | 123.8° | 123.3° |
| C14 | C15 | C16 | H19 | 110.9° | 143.4° |
| C14 | C15 | C16 | H20 | 128.2° | 95.0° |
| C17 | C16 | C15 | H19 | 119.5° | 119.7° |
| C17 | C16 | C15 | H20 | 119.5° | 118.7° |
| C17 | C16 | C15 | H17 | 110.0° | 94.6° |
| C17 | C16 | C15 | H18 | 127.3° | 142.0° |
| C17 | C16 | H19 | H20 | 121.4° | 121.2° |
| C16 | C17 | C20 | H27 | 160.0° | 61.1° |
| O5 | C30 | C29 | H44 | 32.1° | 60.0° |
| O5 | C30 | C29 | H45 | 89.6° | 60.1° |
| O5 | C30 | H46 | H47 | 120.2° | 120.0° |
| O1 | C1 | C2 | H4 | 64.0° | 58.1° |
| C16 | C15 | C14 | H16 | 76.3° | 75.6° |
| C16 | C15 | H17 | H18 | 123.8° | 123.3° |
| C15 | C16 | H19 | H20 | 121.4° | 121.6° |
| C15 | C16 | C17 | H21 | 89.0° | 114.7° |
| H1 | O2 | C3 | H5 | 59.9° | 60.1° |
| H3 | C1 | C2 | H4 | 178.0° | 62.5° |
| H3 | C1 | O1 | H41 | 62.7° | 60.0° |
| H4 | C2 | C3 | H5 | 57.4° | 66.3° |
| H5 | C3 | C4 | H6 | 70.8° | 177.9° |
| H5 | C3 | C4 | H7 | 47.8° | 57.3° |
| H8 | C6 | C7 | H9 | 157.6° | 180.0° |
| H10 | C9 | C11 | H12 | 73.4° | 48.9° |
| H10 | C9 | C11 | H13 | 46.8° | 167.7° |
| H11 | C9 | C11 | H12 | 45.8° | 70.5° |
| H11 | C9 | C11 | H13 | 166.0° | 48.3° |
| H12 | C11 | C12 | H14 | 48.6° | 60.1° |
| H12 | C11 | C12 | H15 | 69.6° | 60.8° |
| H13 | C11 | C12 | H14 | 168.8° | 179.0° |
| H13 | C11 | C12 | H15 | 50.6° | 58.0° |
| H16 | C14 | C15 | H17 | 165.0° | 166.1° |
| H16 | C14 | C15 | H18 | 42.4° | 42.7° |
| H17 | C15 | C16 | H19 | 130.5° | 25.1° |
| H17 | C15 | C16 | H20 | 9.5° | 146.6° |
| H18 | C15 | C16 | H19 | 7.8° | 98.3° |
| H18 | C15 | C16 | H20 | 113.2° | 23.3° |
| H19 | C16 | C17 | H21 | 30.5° | 125.8° |
| H20 | C16 | C17 | H21 | 151.5° | 4.4° |
| H21 | C17 | C20 | H27 | 78.4° | 176.4° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H27 | C20 | C21 | H28 | 60.6° | 176.2° |
| H27 | C20 | C21 | H29 | 179.4° | 56.3° |
| H27 | C20 | C21 | H30 | 59.4° | 63.7° |
| H27 | C20 | C22 | H31 | 156.7° | 65.0° |
| H27 | C20 | C22 | H32 | 84.0° | 175.0° |
| H28 | C21 | H29 | H30 | 120.0° | 120.0° |
| H31 | C22 | C23 | H33 | 167.3° | NaN° |
| H31 | C22 | C23 | H49 | 48.9° | 60.0° |
| H32 | C22 | C23 | H33 | 73.4° | 60.0° |
| H32 | C22 | C23 | H49 | 168.2° | 180.0° |
| H33 | C23 | C24 | H34 | 161.3° | 180.0° |
| H33 | C23 | C24 | H50 | 43.9° | 60.0° |
| H34 | C24 | C23 | H49 | 80.3° | 60.0° |
| H35 | C26 | H36 | H37 | 120.0° | 120.0° |
| H38 | C27 | H39 | H40 | 120.0° | 120.0° |
| H42 | C28 | C29 | H44 | 144.2° | 180.0° |
| H42 | C28 | C29 | H45 | 94.1° | 60.0° |
| H43 | C28 | C29 | H44 | 94.3° | 60.0° |
| H43 | C28 | C29 | H45 | 27.3° | NaN° |
| H44 | C29 | C30 | H46 | 152.0° | 180.0° |
| H44 | C29 | C30 | H47 | 87.9° | 60.0° |
| H45 | C29 | C30 | H46 | 30.4° | 59.9° |
| H45 | C29 | C30 | H47 | 150.5° | 180.0° |
| H46 | C30 | O5 | H48 | 60.1° | 60.0° |
| H47 | C30 | O5 | H48 | 60.1° | 60.0° |
| H49 | C23 | C24 | H50 | 162.3° | 180.0° |
