4D8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OC1 | C4A | doub | 1.21Å | 1.33Å | |
| OC2 | C4A | sing | 1.34Å | 1.22Å | |
| C4A | C4 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.52Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C4B | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C10 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C8 | C14 | sing | 1.51Å | 1.47Å | |
| C8 | C9 | doub | 1.30Å | 1.28Å | |
| C14 | C13 | sing | 1.52Å | 1.51Å | |
| C10 | C9 | sing | 1.52Å | 1.51Å | |
| C10 | C19 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.51Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | doub | 1.31Å | 1.34Å | |
| C17 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| OC2 | H2 | sing | 0.97Å | 0.95Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.12Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.10Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.08Å | 1.10Å | |
| C6 | H15 | sing | 1.10Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.10Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.10Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C4B | H30 | sing | 1.09Å | 1.10Å | |
| C4B | H31 | sing | 1.09Å | 1.10Å | |
| C4B | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.08Å | 1.08Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OC1 | C4A | OC2 | 118.5° | 120.0° |
| OC1 | C4A | C4 | 120.7° | 120.0° |
| OC2 | C4A | C4 | 120.8° | 120.0° |
| C4A | OC2 | H2 | 109.5° | 117.0° |
| C4A | C4 | C3 | 109.9° | 106.7° |
| C4A | C4 | C5 | 104.3° | 108.2° |
| C4A | C4 | C4B | 107.1° | 107.1° |
| O3 | C3 | C4 | 104.6° | 109.0° |
| O3 | C3 | C2 | 106.1° | 109.2° |
| C3 | O3 | H1 | 109.5° | 114.0° |
| O3 | C3 | H24 | 111.0° | 108.3° |
| C4 | C3 | C2 | 116.0° | 112.3° |
| C3 | C4 | C5 | 112.0° | 111.3° |
| C3 | C4 | C4B | 110.1° | 110.2° |
| C4 | C3 | H24 | 109.4° | 108.7° |
| C3 | C2 | C1 | 114.1° | 110.4° |
| C2 | C3 | H24 | 109.5° | 109.2° |
| C3 | C2 | H25 | 108.3° | 110.6° |
| C3 | C2 | H26 | 108.3° | 108.5° |
| C5 | C4 | C4B | 113.2° | 113.0° |
| C4 | C5 | C6 | 112.3° | 113.8° |
| C4 | C5 | C10 | 116.9° | 116.1° |
| C4 | C5 | H5 | 105.6° | 106.3° |
| C4 | C4B | H30 | 109.5° | 109.5° |
| C4 | C4B | H31 | 109.5° | 109.5° |
| C4 | C4B | H32 | 109.5° | 109.5° |
| C6 | C5 | C10 | 109.8° | 108.1° |
| C5 | C6 | C7 | 103.9° | 106.3° |
| C6 | C5 | H5 | 105.6° | 105.8° |
| C5 | C6 | H14 | 110.9° | 112.8° |
| C5 | C6 | H15 | 110.8° | 110.2° |
| C5 | C10 | C1 | 112.0° | 110.7° |
| C5 | C10 | C9 | 103.3° | 110.6° |
| C5 | C10 | C19 | 114.3° | 111.7° |
| C10 | C5 | H5 | 105.6° | 106.1° |
| C2 | C1 | C10 | 112.2° | 109.4° |
| C2 | C1 | H18 | 108.8° | 109.6° |
| C2 | C1 | H19 | 108.8° | 109.6° |
| C1 | C2 | H25 | 108.3° | 111.1° |
| C1 | C2 | H26 | 108.3° | 108.3° |
| C6 | C7 | C8 | 110.3° | 114.6° |
| C7 | C6 | H14 | 110.8° | 110.4° |
| C7 | C6 | H15 | 110.9° | 108.6° |
| C6 | C7 | H16 | 109.3° | 108.3° |
| C6 | C7 | H17 | 109.3° | 108.2° |
| C7 | C8 | C14 | 118.3° | 116.9° |
| C7 | C8 | C9 | 125.5° | 122.9° |
| C8 | C7 | H16 | 109.2° | 108.7° |
| C8 | C7 | H17 | 109.3° | 108.7° |
| C26 | C25 | C27 | 119.6° | 120.0° |
| C26 | C25 | C24 | 121.3° | 120.0° |
| C25 | C26 | H41 | 109.5° | 109.5° |
| C25 | C26 | H42 | 109.5° | 109.5° |
| C25 | C26 | H43 | 109.5° | 109.5° |
| C1 | C10 | C9 | 108.6° | 110.0° |
| C1 | C10 | C19 | 110.8° | 108.0° |
| C10 | C1 | H18 | 108.8° | 109.6° |
| C10 | C1 | H19 | 108.8° | 109.5° |
| C14 | C15 | C16 | 102.3° | 102.5° |
| C15 | C14 | C8 | 115.8° | 117.9° |
| C15 | C14 | C13 | 105.7° | 102.1° |
| C15 | C14 | H3 | 108.3° | 109.0° |
| C14 | C15 | H8 | 111.2° | 111.8° |
| C14 | C15 | H9 | 111.3° | 110.6° |
| C15 | C16 | C17 | 107.7° | 106.8° |
| C16 | C15 | H8 | 111.2° | 111.4° |
| C16 | C15 | H9 | 111.2° | 110.5° |
| C15 | C16 | H10 | 109.9° | 110.1° |
| C15 | C16 | H11 | 109.9° | 110.1° |
| C14 | C8 | C9 | 116.2° | 120.3° |
| C8 | C14 | C13 | 109.3° | 109.6° |
| C8 | C14 | H3 | 109.0° | 108.7° |
| C8 | C9 | C10 | 122.8° | 121.2° |
| C8 | C9 | C11 | 118.4° | 121.4° |
| C14 | C13 | C17 | 100.2° | 101.8° |
| C14 | C13 | C12 | 105.6° | 103.8° |
| C14 | C13 | C18 | 110.8° | 112.5° |
| C13 | C14 | H3 | 108.5° | 109.2° |
| C9 | C10 | C19 | 107.4° | 105.7° |
| C10 | C9 | C11 | 118.8° | 117.4° |
| C10 | C19 | H27 | 109.5° | 109.4° |
| C10 | C19 | H28 | 109.5° | 109.5° |
| C10 | C19 | H29 | 109.5° | 109.5° |
| C9 | C11 | C12 | 114.0° | 116.3° |
| C9 | C11 | H12 | 108.3° | 107.9° |
| C9 | C11 | H13 | 108.3° | 109.1° |
| C11 | C12 | C13 | 113.7° | 107.2° |
| C11 | C12 | H6 | 108.4° | 110.2° |
| C11 | C12 | H7 | 108.4° | 110.3° |
| C12 | C11 | H12 | 108.3° | 107.5° |
| C12 | C11 | H13 | 108.3° | 108.8° |
| C16 | C17 | C13 | 104.2° | 105.1° |
| C16 | C17 | C20 | 111.1° | 110.4° |
| C16 | C17 | H4 | 108.0° | 110.6° |
| C17 | C16 | H10 | 109.9° | 110.1° |
| C17 | C16 | H11 | 109.9° | 110.1° |
| C27 | C25 | C24 | 119.1° | 120.0° |
| C25 | C27 | H44 | 109.5° | 109.5° |
| C25 | C27 | H45 | 109.5° | 109.5° |
| C25 | C27 | H46 | 109.5° | 109.4° |
| C25 | C24 | C23 | 121.7° | 120.0° |
| C25 | C24 | H40 | 119.2° | 120.0° |
| C13 | C17 | C20 | 117.1° | 110.1° |
| C17 | C13 | C12 | 120.0° | 116.6° |
| C17 | C13 | C18 | 108.8° | 110.1° |
| C13 | C17 | H4 | 108.1° | 110.2° |
| C17 | C20 | C22 | 110.4° | 109.5° |
| C17 | C20 | C21 | 114.1° | 109.4° |
| C20 | C17 | H4 | 108.0° | 110.4° |
| C17 | C20 | H20 | 108.0° | 109.5° |
| C12 | C13 | C18 | 110.7° | 111.6° |
| C13 | C12 | H6 | 108.4° | 109.9° |
| C13 | C12 | H7 | 108.4° | 110.0° |
| C13 | C18 | H21 | 109.5° | 109.5° |
| C13 | C18 | H22 | 109.5° | 109.5° |
| C13 | C18 | H23 | 109.4° | 109.5° |
| C24 | C23 | C22 | 110.1° | 109.5° |
| C24 | C23 | H38 | 109.4° | 109.5° |
| C24 | C23 | H39 | 109.3° | 109.5° |
| C23 | C24 | H40 | 119.1° | 120.0° |
| C23 | C22 | C20 | 112.2° | 109.5° |
| C23 | C22 | H33 | 108.8° | 109.5° |
| C23 | C22 | H34 | 108.8° | 109.5° |
| C22 | C23 | H38 | 109.3° | 109.4° |
| C22 | C23 | H39 | 109.3° | 109.4° |
| C22 | C20 | C21 | 108.2° | 109.4° |
| C22 | C20 | H20 | 108.0° | 109.5° |
| C20 | C22 | H33 | 108.8° | 109.4° |
| C20 | C22 | H34 | 108.8° | 109.4° |
| C21 | C20 | H20 | 108.0° | 109.5° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C20 | C21 | H36 | 109.5° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.2° |
| H8 | C15 | H9 | 109.4° | 109.9° |
| H10 | C16 | H11 | 109.5° | 109.6° |
| H12 | C11 | H13 | 109.5° | 106.8° |
| H14 | C6 | H15 | 109.5° | 108.5° |
| H16 | C7 | H17 | 109.5° | 108.1° |
| H18 | C1 | H19 | 109.4° | 109.1° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H25 | C2 | H26 | 109.5° | 107.8° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.4° |
| H30 | C4B | H31 | 109.5° | 109.4° |
| H30 | C4B | H32 | 109.5° | 109.4° |
| H31 | C4B | H32 | 109.5° | 109.4° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.4° | 109.4° |
| H35 | C21 | H37 | 109.5° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H41 | C26 | H42 | 109.5° | 109.5° |
| H41 | C26 | H43 | 109.5° | 109.4° |
| H42 | C26 | H43 | 109.4° | 109.5° |
| H44 | C27 | H45 | 109.5° | 109.5° |
| H44 | C27 | H46 | 109.5° | 109.5° |
| H45 | C27 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OC1 | C4A | OC2 | C4 | 179.6° | 180.0° |
| OC1 | C4A | C4 | C3 | 51.0° | 119.9° |
| OC1 | C4A | C4 | C5 | 69.1° | 0.1° |
| OC1 | C4A | C4 | C4B | 170.7° | 122.0° |
| OC1 | C4A | OC2 | H2 | 0.0° | 0.0° |
| OC2 | C4A | C4 | C3 | 129.4° | 60.1° |
| OC2 | C4A | C4 | C5 | 110.4° | 179.9° |
| OC2 | C4A | C4 | C4B | 9.8° | 58.0° |
| C4A | C4 | C3 | O3 | 86.8° | 71.9° |
| C4A | C4 | C3 | C5 | 115.4° | 117.8° |
| C4A | C4 | C3 | C4B | 117.8° | 116.0° |
| C4A | C4 | C3 | C2 | 156.6° | 166.9° |
| C4A | C4 | C5 | C4B | 116.1° | 118.4° |
| C4A | C4 | C5 | C6 | 69.5° | 70.1° |
| C4A | C4 | C5 | C10 | 162.3° | 163.5° |
| C4 | C4A | OC2 | H2 | 179.6° | 179.9° |
| C4A | C4 | C5 | H5 | 45.2° | 45.9° |
| C4A | C4 | C3 | H24 | 32.2° | 46.0° |
| C4A | C4 | C4B | H30 | 180.0° | 179.6° |
| C4A | C4 | C4B | H31 | 60.0° | 59.6° |
| C4A | C4 | C4B | H32 | 60.0° | 60.4° |
| O3 | C3 | C4 | C2 | 116.5° | 121.2° |
| O3 | C3 | C4 | H24 | 119.0° | 117.9° |
| O3 | C3 | C2 | H24 | 119.9° | 118.3° |
| O3 | C3 | C4 | C5 | 157.8° | 170.3° |
| O3 | C3 | C4 | C4B | 30.9° | 44.1° |
| O3 | C3 | C2 | C1 | 161.8° | 178.7° |
| O3 | C3 | C2 | H25 | 77.5° | 55.3° |
| O3 | C3 | C2 | H26 | 41.2° | 62.7° |
| C4 | C3 | C2 | H24 | 124.4° | 120.7° |
| C3 | C4 | C5 | C4B | 125.2° | 124.7° |
| C3 | C4 | C5 | C6 | 171.8° | 173.0° |
| C3 | C4 | C5 | C10 | 43.5° | 46.6° |
| C4 | C3 | C2 | C1 | 46.1° | 57.6° |
| C4 | C3 | O3 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 73.5° | 71.0° |
| C4 | C3 | C2 | H25 | 166.8° | 65.7° |
| C4 | C3 | C2 | H26 | 74.5° | 176.2° |
| C3 | C4 | C4B | H30 | 60.6° | 63.9° |
| C3 | C4 | C4B | H31 | 59.4° | 56.1° |
| C3 | C4 | C4B | H32 | 179.4° | 176.1° |
| C2 | C3 | C4 | C5 | 41.3° | 49.1° |
| C2 | C3 | C4 | C4B | 85.6° | 77.1° |
| C3 | C2 | C1 | H25 | 120.7° | 123.1° |
| C3 | C2 | C1 | H26 | 120.7° | 118.7° |
| C3 | C2 | C1 | C10 | 50.4° | 60.8° |
| C2 | C3 | O3 | H1 | 56.9° | 56.9° |
| C3 | C2 | C1 | H18 | 70.0° | 179.0° |
| C3 | C2 | C1 | H19 | 170.9° | 59.2° |
| C3 | C2 | H25 | H26 | 117.9° | 118.5° |
| C4 | C5 | C6 | C10 | 131.9° | 130.5° |
| C4 | C5 | C6 | H5 | 114.7° | 116.3° |
| C4 | C5 | C10 | H5 | 117.1° | 117.8° |
| C4 | C5 | C6 | C7 | 152.3° | 162.5° |
| C4 | C5 | C10 | C1 | 49.4° | 50.9° |
| C4 | C5 | C10 | C9 | 166.1° | 173.2° |
| C4 | C5 | C10 | C19 | 77.6° | 69.4° |
| C4 | C5 | C6 | H14 | 88.7° | 76.4° |
| C4 | C5 | C6 | H15 | 33.2° | 45.0° |
| C5 | C4 | C3 | H24 | 83.2° | 71.8° |
| C5 | C4 | C4B | H30 | 65.6° | 61.4° |
| C5 | C4 | C4B | H31 | 174.4° | 178.6° |
| C5 | C4 | C4B | H32 | 54.4° | 58.6° |
| C4B | C4 | C5 | C6 | 46.6° | 48.3° |
| C4B | C4 | C5 | C10 | 81.6° | 78.0° |
| C4B | C4 | C5 | H5 | 161.3° | 164.3° |
| C4B | C4 | C3 | H24 | 150.0° | 162.0° |
| C4 | C4B | H30 | H31 | 120.0° | 120.1° |
| C4 | C4B | H30 | H32 | 120.0° | 120.0° |
| C4 | C4B | H31 | H32 | 120.0° | 120.0° |
| C6 | C5 | C10 | H5 | 113.5° | 113.0° |
| C5 | C6 | C7 | H14 | 119.1° | 122.6° |
| C5 | C6 | C7 | H15 | 119.1° | 118.5° |
| C5 | C6 | C7 | C8 | 43.1° | 43.6° |
| C6 | C5 | C10 | C1 | 178.9° | 179.8° |
| C6 | C5 | C10 | C9 | 64.4° | 57.6° |
| C6 | C5 | C10 | C19 | 51.9° | 59.8° |
| C5 | C6 | H14 | H15 | 122.6° | 122.4° |
| C5 | C6 | C7 | H16 | 163.2° | 78.0° |
| C5 | C6 | C7 | H17 | 77.0° | 165.0° |
| C5 | C10 | C1 | C2 | 51.2° | 56.5° |
| C10 | C5 | C6 | C7 | 75.8° | 67.0° |
| C5 | C10 | C1 | C9 | 113.4° | 122.6° |
| C5 | C10 | C1 | C19 | 128.9° | 122.5° |
| C5 | C10 | C9 | C8 | 25.4° | 24.0° |
| C5 | C10 | C9 | C19 | 121.1° | 121.0° |
| C5 | C10 | C9 | C11 | 154.1° | 156.3° |
| C10 | C5 | C6 | H14 | 43.2° | 54.1° |
| C10 | C5 | C6 | H15 | 165.1° | 175.5° |
| C5 | C10 | C1 | H18 | 69.2° | 176.7° |
| C5 | C10 | C1 | H19 | 171.7° | 63.6° |
| C5 | C10 | C19 | H27 | 180.0° | 171.5° |
| C5 | C10 | C19 | H28 | 60.0° | 68.5° |
| C5 | C10 | C19 | H29 | 60.0° | 51.4° |
| C2 | C1 | C10 | H18 | 120.4° | 120.1° |
| C2 | C1 | C10 | H19 | 120.4° | 120.2° |
| C2 | C1 | C10 | C9 | 164.7° | 179.1° |
| C2 | C1 | C10 | C19 | 77.6° | 66.0° |
| C2 | C1 | H18 | H19 | 118.7° | 120.1° |
| C1 | C2 | C3 | H24 | 78.3° | 63.0° |
| C1 | C2 | H25 | H26 | 117.9° | 118.5° |
| C6 | C7 | C8 | H16 | 120.1° | 121.4° |
| C6 | C7 | C8 | H17 | 120.1° | 121.2° |
| C6 | C7 | C8 | C14 | 170.9° | 169.0° |
| C6 | C7 | C8 | C9 | 8.8° | 11.2° |
| C7 | C6 | C5 | H5 | 37.6° | 46.2° |
| C7 | C6 | H14 | H15 | 122.6° | 118.9° |
| C6 | C7 | H16 | H17 | 119.6° | 117.0° |
| C7 | C8 | C14 | C15 | 4.7° | 30.7° |
| C7 | C8 | C14 | C9 | 179.8° | 179.8° |
| C7 | C8 | C14 | C13 | 123.9° | 146.8° |
| C7 | C8 | C9 | C10 | 0.8° | 0.4° |
| C7 | C8 | C9 | C11 | 179.8° | 179.9° |
| C7 | C8 | C14 | H3 | 117.7° | 93.9° |
| C8 | C7 | C6 | H14 | 76.0° | 79.0° |
| C8 | C7 | C6 | H15 | 162.2° | 162.1° |
| C8 | C7 | H16 | H17 | 119.6° | 117.8° |
| C26 | C25 | C27 | C24 | 179.2° | 179.9° |
| C26 | C25 | C24 | C23 | 1.0° | 172.6° |
| C26 | C25 | C24 | H40 | 179.0° | 7.4° |
| C25 | C26 | H41 | H42 | 120.0° | 120.0° |
| C25 | C26 | H41 | H43 | 120.0° | 120.0° |
| C25 | C26 | H42 | H43 | 120.0° | 120.0° |
| C26 | C25 | C27 | H44 | 180.0° | 175.0° |
| C26 | C25 | C27 | H45 | 60.0° | 55.0° |
| C26 | C25 | C27 | H46 | 60.0° | 65.0° |
| C1 | C10 | C9 | C8 | 144.4° | 146.7° |
| C1 | C10 | C9 | C19 | 119.9° | 116.3° |
| C1 | C10 | C9 | C11 | 35.0° | 33.6° |
| C1 | C10 | C5 | H5 | 67.7° | 66.8° |
| C10 | C1 | H18 | H19 | 118.7° | 119.9° |
| C10 | C1 | C2 | H25 | 171.1° | 62.3° |
| C10 | C1 | C2 | H26 | 70.2° | 179.5° |
| C1 | C10 | C19 | H27 | 52.4° | 66.6° |
| C1 | C10 | C19 | H28 | 67.6° | 53.4° |
| C1 | C10 | C19 | H29 | 172.4° | 173.4° |
| C14 | C15 | C16 | H8 | 118.9° | 119.6° |
| C14 | C15 | C16 | H9 | 118.9° | 117.9° |
| C15 | C14 | C8 | C13 | 119.2° | 116.1° |
| C15 | C14 | C8 | H3 | 122.4° | 124.7° |
| C15 | C14 | C8 | C9 | 175.1° | 149.5° |
| C15 | C14 | C13 | H3 | 116.0° | 115.3° |
| C14 | C15 | C16 | C17 | 10.1° | 20.5° |
| C15 | C14 | C13 | C17 | 45.3° | 46.4° |
| C15 | C14 | C13 | C12 | 170.6° | 167.9° |
| C15 | C14 | C13 | C18 | 69.4° | 71.3° |
| C14 | C15 | H8 | H9 | 123.3° | 123.2° |
| C14 | C15 | C16 | H10 | 129.8° | 99.0° |
| C14 | C15 | C16 | H11 | 109.6° | 140.1° |
| C16 | C15 | C14 | C8 | 155.8° | 161.4° |
| C16 | C15 | C14 | C13 | 34.6° | 41.3° |
| C15 | C16 | C17 | H10 | 119.7° | 119.5° |
| C15 | C16 | C17 | H11 | 119.7° | 119.6° |
| C15 | C16 | C17 | C13 | 17.2° | 7.9° |
| C15 | C16 | C17 | C20 | 144.2° | 126.5° |
| C16 | C15 | C14 | H3 | 81.5° | 74.1° |
| C15 | C16 | C17 | H4 | 97.5° | 111.0° |
| C16 | C15 | H8 | H9 | 123.3° | 122.8° |
| C15 | C16 | H10 | H11 | 120.8° | 121.2° |
| C8 | C14 | C13 | H3 | 118.7° | 118.9° |
| C14 | C8 | C9 | C10 | 179.4° | 179.8° |
| C14 | C8 | C9 | C11 | 0.0° | 0.1° |
| C8 | C14 | C13 | C17 | 170.6° | 172.2° |
| C8 | C14 | C13 | C12 | 64.1° | 66.3° |
| C8 | C14 | C13 | C18 | 55.9° | 54.4° |
| C8 | C14 | C15 | H8 | 36.9° | 42.0° |
| C8 | C14 | C15 | H9 | 85.4° | 80.8° |
| C14 | C8 | C7 | H16 | 50.8° | 69.6° |
| C14 | C8 | C7 | H17 | 68.9° | 47.8° |
| C9 | C8 | C14 | C13 | 55.9° | 33.4° |
| C8 | C9 | C10 | C11 | 179.5° | 179.7° |
| C8 | C9 | C10 | C19 | 95.7° | 97.0° |
| C8 | C9 | C11 | C12 | 41.6° | 2.2° |
| C9 | C8 | C14 | H3 | 62.5° | 85.8° |
| C8 | C9 | C11 | H12 | 79.1° | 123.0° |
| C8 | C9 | C11 | H13 | 162.3° | 121.3° |
| C9 | C8 | C7 | H16 | 129.0° | 110.2° |
| C9 | C8 | C7 | H17 | 111.3° | 132.4° |
| C14 | C13 | C12 | C11 | 23.3° | 67.0° |
| C14 | C13 | C17 | C16 | 37.3° | 33.4° |
| C14 | C13 | C17 | C12 | 114.8° | 112.2° |
| C14 | C13 | C17 | C18 | 116.3° | 119.5° |
| C14 | C13 | C17 | C20 | 160.4° | 152.2° |
| C14 | C13 | C12 | C18 | 120.0° | 121.4° |
| C14 | C13 | C17 | H4 | 77.4° | 85.8° |
| C14 | C13 | C12 | H6 | 97.3° | 173.2° |
| C14 | C13 | C12 | H7 | 143.9° | 52.9° |
| C13 | C14 | C15 | H8 | 84.3° | 78.1° |
| C13 | C14 | C15 | H9 | 153.4° | 159.1° |
| C14 | C13 | C18 | H21 | 180.0° | 60.1° |
| C14 | C13 | C18 | H22 | 60.0° | 59.8° |
| C14 | C13 | C18 | H23 | 60.0° | 179.9° |
| C10 | C9 | C11 | C12 | 138.9° | 178.1° |
| C9 | C10 | C5 | H5 | 49.0° | 55.4° |
| C10 | C9 | C11 | H12 | 100.4° | 57.3° |
| C10 | C9 | C11 | H13 | 18.3° | 58.4° |
| C9 | C10 | C1 | H18 | 44.2° | 60.8° |
| C9 | C10 | C1 | H19 | 74.9° | 59.0° |
| C9 | C10 | C19 | H27 | 66.1° | 51.1° |
| C9 | C10 | C19 | H28 | 173.9° | 171.1° |
| C9 | C10 | C19 | H29 | 53.9° | 68.9° |
| C19 | C10 | C9 | C11 | 84.9° | 82.7° |
| C19 | C10 | C5 | H5 | 165.3° | 172.9° |
| C19 | C10 | C1 | H18 | 161.9° | 54.1° |
| C19 | C10 | C1 | H19 | 42.8° | 173.8° |
| C10 | C19 | H27 | H28 | 120.0° | 120.0° |
| C10 | C19 | H27 | H29 | 120.0° | 120.0° |
| C10 | C19 | H28 | H29 | 120.0° | 120.0° |
| C9 | C11 | C12 | H12 | 120.7° | 121.0° |
| C9 | C11 | C12 | H13 | 120.7° | 123.6° |
| C9 | C11 | C12 | C13 | 26.4° | 36.7° |
| C9 | C11 | C12 | H6 | 147.0° | 156.3° |
| C9 | C11 | C12 | H7 | 94.2° | 83.1° |
| C9 | C11 | H12 | H13 | 118.0° | 117.2° |
| C11 | C12 | C13 | C17 | 135.2° | 178.0° |
| C11 | C12 | C13 | H6 | 120.6° | 119.8° |
| C11 | C12 | C13 | H7 | 120.6° | 119.9° |
| C11 | C12 | C13 | C18 | 96.8° | 54.4° |
| C11 | C12 | H6 | H7 | 118.1° | 121.3° |
| C12 | C11 | H12 | H13 | 117.9° | 116.7° |
| C16 | C17 | C13 | C20 | 123.1° | 118.8° |
| C16 | C17 | C13 | H4 | 114.7° | 119.1° |
| C16 | C17 | C20 | H4 | 118.3° | 122.6° |
| C16 | C17 | C13 | C12 | 152.1° | 145.5° |
| C16 | C17 | C13 | C18 | 79.0° | 86.1° |
| C16 | C17 | C20 | C22 | 54.8° | 58.9° |
| C16 | C17 | C20 | C21 | 176.9° | 178.9° |
| C17 | C16 | C15 | H8 | 108.8° | 99.1° |
| C17 | C16 | C15 | H9 | 128.9° | 138.4° |
| C17 | C16 | H10 | H11 | 120.8° | 121.3° |
| C16 | C17 | C20 | H20 | 63.0° | 61.1° |
| C27 | C25 | C24 | C23 | 179.8° | 7.5° |
| C27 | C25 | C24 | H40 | 0.1° | 172.6° |
| C27 | C25 | C26 | H41 | 180.0° | 89.9° |
| C27 | C25 | C26 | H42 | 60.0° | 150.0° |
| C27 | C25 | C26 | H43 | 60.0° | 30.0° |
| C25 | C27 | H44 | H45 | 120.0° | 120.0° |
| C25 | C27 | H44 | H46 | 120.0° | 120.0° |
| C25 | C27 | H45 | H46 | 120.0° | 120.0° |
| C25 | C24 | C23 | H40 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 131.3° | 126.6° |
| C25 | C24 | C23 | H38 | 108.6° | 6.6° |
| C25 | C24 | C23 | H39 | 11.2° | 113.4° |
| C24 | C25 | C26 | H41 | 0.9° | 90.0° |
| C24 | C25 | C26 | H42 | 120.9° | 30.0° |
| C24 | C25 | C26 | H43 | 119.2° | 150.0° |
| C24 | C25 | C27 | H44 | 0.8° | 4.9° |
| C24 | C25 | C27 | H45 | 119.2° | 125.0° |
| C24 | C25 | C27 | H46 | 120.8° | 115.0° |
| C13 | C17 | C20 | H4 | 122.3° | 121.9° |
| C17 | C13 | C12 | C18 | 128.0° | 127.6° |
| C13 | C17 | C20 | C22 | 174.3° | 174.5° |
| C13 | C17 | C20 | C21 | 63.6° | 65.6° |
| C17 | C13 | C14 | H3 | 70.7° | 68.9° |
| C17 | C13 | C12 | H6 | 14.6° | 62.2° |
| C17 | C13 | C12 | H7 | 104.1° | 58.1° |
| C13 | C17 | C16 | H10 | 102.5° | 127.3° |
| C13 | C17 | C16 | H11 | 137.0° | 111.7° |
| C13 | C17 | C20 | H20 | 56.4° | 54.4° |
| C17 | C13 | C18 | H21 | 70.7° | 172.9° |
| C17 | C13 | C18 | H22 | 169.2° | 52.9° |
| C17 | C13 | C18 | H23 | 49.2° | 67.1° |
| C20 | C17 | C13 | C12 | 84.8° | 95.7° |
| C20 | C17 | C13 | C18 | 44.1° | 32.7° |
| C17 | C20 | C22 | C23 | 51.6° | 175.1° |
| C17 | C20 | C22 | C21 | 125.5° | 120.0° |
| C17 | C20 | C22 | H20 | 117.8° | 120.1° |
| C17 | C20 | C21 | H20 | 120.0° | 120.1° |
| C20 | C17 | C16 | H10 | 24.4° | 114.0° |
| C20 | C17 | C16 | H11 | 96.1° | 6.9° |
| C17 | C20 | C22 | H33 | 68.8° | 55.0° |
| C17 | C20 | C22 | H34 | 172.0° | 64.9° |
| C17 | C20 | C21 | H35 | 180.0° | 176.7° |
| C17 | C20 | C21 | H36 | 60.0° | 56.7° |
| C17 | C20 | C21 | H37 | 60.0° | 63.3° |
| C12 | C13 | C14 | H3 | 54.6° | 52.6° |
| C12 | C13 | C17 | H4 | 37.4° | 26.4° |
| C13 | C12 | H6 | H7 | 118.1° | 120.8° |
| C13 | C12 | C11 | H12 | 94.3° | 157.7° |
| C13 | C12 | C11 | H13 | 147.1° | 87.0° |
| C12 | C13 | C18 | H21 | 63.2° | 56.1° |
| C12 | C13 | C18 | H22 | 56.9° | 176.1° |
| C12 | C13 | C18 | H23 | 176.8° | 63.9° |
| C18 | C13 | C14 | H3 | 174.6° | 173.4° |
| C18 | C13 | C17 | H4 | 166.3° | 154.7° |
| C18 | C13 | C12 | H6 | 142.6° | 65.4° |
| C18 | C13 | C12 | H7 | 23.9° | 174.3° |
| C13 | C18 | H21 | H22 | 120.0° | 120.0° |
| C13 | C18 | H21 | H23 | 120.0° | 120.0° |
| C13 | C18 | H22 | H23 | 119.9° | 120.1° |
| C24 | C23 | C22 | H38 | 120.1° | 120.0° |
| C24 | C23 | C22 | H39 | 120.1° | 120.0° |
| C24 | C23 | C22 | C20 | 149.7° | 180.0° |
| C24 | C23 | C22 | H33 | 89.9° | 60.0° |
| C24 | C23 | C22 | H34 | 29.3° | 60.0° |
| C24 | C23 | H38 | H39 | 119.8° | 120.0° |
| C23 | C22 | C20 | H33 | 120.4° | 120.0° |
| C23 | C22 | C20 | H34 | 120.4° | 120.0° |
| C23 | C22 | C20 | C21 | 73.9° | 65.0° |
| C23 | C22 | C20 | H20 | 169.4° | 55.0° |
| C23 | C22 | H33 | H34 | 118.7° | 120.0° |
| C22 | C23 | H38 | H39 | 119.7° | 119.9° |
| C22 | C23 | C24 | H40 | 48.7° | 53.4° |
| C22 | C20 | C21 | H20 | 116.7° | 120.0° |
| C22 | C20 | C17 | H4 | 63.5° | 63.6° |
| C20 | C22 | H33 | H34 | 118.8° | 119.9° |
| C22 | C20 | C21 | H35 | 56.7° | 56.7° |
| C22 | C20 | C21 | H36 | 63.3° | 63.2° |
| C22 | C20 | C21 | H37 | 176.7° | 176.8° |
| C20 | C22 | C23 | H38 | 29.6° | 60.0° |
| C20 | C22 | C23 | H39 | 90.2° | 60.0° |
| C21 | C20 | C17 | H4 | 58.7° | 56.3° |
| C21 | C20 | C22 | H33 | 165.7° | 175.0° |
| C21 | C20 | C22 | H34 | 46.5° | 55.0° |
| C20 | C21 | H35 | H36 | 120.0° | 120.0° |
| C20 | C21 | H35 | H37 | 120.0° | 120.0° |
| C20 | C21 | H36 | H37 | 120.0° | 120.0° |
| H1 | O3 | C3 | H24 | 62.0° | 61.9° |
| H3 | C14 | C15 | H8 | 159.7° | 166.5° |
| H3 | C14 | C15 | H9 | 37.3° | 43.7° |
| H4 | C17 | C16 | H10 | 142.7° | 8.4° |
| H4 | C17 | C16 | H11 | 22.2° | 129.4° |
| H4 | C17 | C20 | H20 | 178.7° | 176.3° |
| H5 | C5 | C6 | H14 | 156.7° | 167.3° |
| H5 | C5 | C6 | H15 | 81.5° | 71.2° |
| H6 | C12 | C11 | H12 | 26.4° | 82.7° |
| H6 | C12 | C11 | H13 | 92.3° | 32.6° |
| H7 | C12 | C11 | H12 | 145.1° | 37.9° |
| H7 | C12 | C11 | H13 | 26.4° | 153.3° |
| H8 | C15 | C16 | H10 | 10.9° | 141.4° |
| H8 | C15 | C16 | H11 | 131.5° | 20.5° |
| H9 | C15 | C16 | H10 | 111.4° | 19.0° |
| H9 | C15 | C16 | H11 | 9.2° | 102.0° |
| H14 | C6 | C7 | H16 | 44.1° | 159.4° |
| H14 | C6 | C7 | H17 | 163.9° | 42.4° |
| H15 | C6 | C7 | H16 | 77.7° | 40.5° |
| H15 | C6 | C7 | H17 | 42.1° | 76.4° |
| H18 | C1 | C2 | H25 | 50.7° | 57.9° |
| H18 | C1 | C2 | H26 | 169.3° | 60.3° |
| H19 | C1 | C2 | H25 | 68.4° | 177.7° |
| H19 | C1 | C2 | H26 | 50.2° | 59.5° |
| H20 | C20 | C22 | H33 | 49.0° | 65.0° |
| H20 | C20 | C22 | H34 | 70.2° | 175.0° |
| H20 | C20 | C21 | H35 | 60.0° | 63.2° |
| H20 | C20 | C21 | H36 | 180.0° | 176.8° |
| H20 | C20 | C21 | H37 | 60.0° | 56.8° |
| H21 | C18 | H22 | H23 | 120.0° | 119.9° |
| H24 | C3 | C2 | H25 | 42.4° | 173.6° |
| H24 | C3 | C2 | H26 | 161.1° | 55.6° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
| H30 | C4B | H31 | H32 | 120.0° | 119.9° |
| H33 | C22 | C23 | H38 | 150.0° | 180.0° |
| H33 | C22 | C23 | H39 | 30.2° | 60.0° |
| H34 | C22 | C23 | H38 | 90.8° | 60.0° |
| H34 | C22 | C23 | H39 | 149.4° | 180.0° |
| H35 | C21 | H36 | H37 | 120.0° | 120.0° |
| H38 | C23 | C24 | H40 | 71.4° | 173.4° |
| H39 | C23 | C24 | H40 | 168.8° | 66.6° |
| H41 | C26 | H42 | H43 | 120.0° | 120.0° |
| H44 | C27 | H45 | H46 | 120.0° | 120.0° |
