2YD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.22Å | |
| O1 | C1 | sing | 1.36Å | 1.34Å | |
| C | C1 | sing | 1.48Å | 1.48Å | |
| C | C7 | sing | 1.41Å | 1.48Å | |
| C8 | C7 | sing | 1.50Å | 1.51Å | |
| C1 | C2 | doub | 1.35Å | 1.35Å | |
| C7 | C6 | doub | 1.35Å | 1.34Å | |
| C2 | C22 | sing | 1.50Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C6 | C3 | sing | 1.51Å | 1.50Å | |
| C6 | O3 | sing | 1.34Å | 1.35Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.52Å | 1.56Å | |
| C22 | O4 | sing | 1.44Å | 1.45Å | |
| C22 | C23 | sing | 1.52Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| O3 | C5 | sing | 1.46Å | 1.44Å | |
| C27 | C23 | sing | 1.54Å | 1.56Å | |
| C19 | C17 | sing | 1.53Å | 1.57Å | |
| C19 | C20 | sing | 1.54Å | 1.55Å | |
| O4 | C21 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.50Å | 1.54Å | |
| C21 | C20 | sing | 1.52Å | 1.56Å | |
| C21 | C25 | sing | 1.53Å | 1.57Å | |
| C9 | C5 | sing | 1.52Å | 1.59Å | |
| C9 | C11 | sing | 1.52Å | 1.56Å | |
| C5 | C4 | sing | 1.54Å | 1.57Å | |
| C5 | O2 | sing | 1.44Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | O5 | sing | 1.43Å | 1.45Å | |
| C16 | C15 | doub | 1.30Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.52Å | 1.57Å | |
| C12 | C13 | sing | 1.54Å | 1.56Å | |
| C12 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.52Å | 1.54Å | |
| C15 | C28 | sing | 1.51Å | 1.52Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.10Å | 1.10Å | |
| C22 | H5 | sing | 1.11Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.10Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.11Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.10Å | 1.08Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.08Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.10Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.12Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| O2 | H43 | sing | 0.97Å | 0.95Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 117.6° | 118.5° |
| O | C | C7 | 121.0° | 119.4° |
| O1 | C1 | C | 117.3° | 116.7° |
| O1 | C1 | C2 | 121.5° | 123.1° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C | C7 | 121.4° | 122.0° |
| C | C1 | C2 | 121.1° | 120.2° |
| C | C7 | C8 | 122.6° | 120.4° |
| C | C7 | C6 | 116.5° | 119.6° |
| C8 | C7 | C6 | 120.8° | 120.1° |
| C7 | C8 | H44 | 109.5° | 109.5° |
| C7 | C8 | H45 | 109.5° | 109.5° |
| C7 | C8 | H46 | 109.5° | 109.5° |
| C1 | C2 | C22 | 123.4° | 125.3° |
| C1 | C2 | C3 | 117.5° | 115.2° |
| C7 | C6 | C3 | 123.7° | 117.0° |
| C7 | C6 | O3 | 123.3° | 134.2° |
| C22 | C2 | C3 | 118.0° | 119.5° |
| C2 | C22 | O4 | 103.8° | 109.6° |
| C2 | C22 | C23 | 117.4° | 114.7° |
| C2 | C22 | H5 | 108.5° | 107.2° |
| C2 | C3 | C6 | 115.3° | 119.3° |
| C2 | C3 | C4 | 130.7° | 112.2° |
| C2 | C3 | H4 | 103.8° | 105.7° |
| C3 | C6 | O3 | 112.5° | 108.7° |
| C6 | C3 | C4 | 96.4° | 105.5° |
| C6 | C3 | H4 | 104.1° | 106.7° |
| C6 | O3 | C5 | 108.1° | 111.5° |
| C18 | C17 | C19 | 108.6° | 110.7° |
| C18 | C17 | C16 | 108.6° | 112.1° |
| C18 | C17 | H21 | 107.9° | 106.8° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.4° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C10 | C9 | C5 | 117.9° | 112.7° |
| C10 | C9 | C11 | 111.2° | 112.5° |
| C10 | C9 | H37 | 105.2° | 106.4° |
| C9 | C10 | H38 | 109.5° | 109.5° |
| C9 | C10 | H39 | 109.5° | 109.5° |
| C9 | C10 | H40 | 109.5° | 109.5° |
| O4 | C22 | C23 | 109.5° | 110.7° |
| C22 | O4 | C21 | 117.4° | 111.8° |
| O4 | C22 | H5 | 109.5° | 106.6° |
| C22 | C23 | C27 | 113.5° | 109.4° |
| C22 | C23 | C24 | 107.9° | 111.5° |
| C23 | C22 | H5 | 108.0° | 107.6° |
| C22 | C23 | H6 | 107.0° | 111.2° |
| C3 | C4 | C5 | 99.5° | 101.5° |
| C4 | C3 | H4 | 103.7° | 106.6° |
| C3 | C4 | H41 | 111.9° | 112.5° |
| C3 | C4 | H42 | 111.9° | 110.2° |
| O3 | C5 | C9 | 110.2° | 109.1° |
| O3 | C5 | C4 | 98.2° | 107.3° |
| O3 | C5 | O2 | 107.9° | 107.4° |
| C27 | C23 | C24 | 114.1° | 107.2° |
| C27 | C23 | H6 | 107.0° | 109.5° |
| C23 | C27 | H7 | 109.5° | 109.5° |
| C23 | C27 | H8 | 109.5° | 109.5° |
| C23 | C27 | H9 | 109.5° | 109.5° |
| C17 | C19 | C20 | 113.4° | 109.2° |
| C19 | C17 | C16 | 115.6° | 111.8° |
| C17 | C19 | H19 | 108.5° | 111.2° |
| C17 | C19 | H20 | 108.5° | 109.5° |
| C19 | C17 | H21 | 107.7° | 107.4° |
| C19 | C20 | C21 | 112.4° | 108.9° |
| C19 | C20 | H17 | 108.7° | 108.8° |
| C19 | C20 | H18 | 108.7° | 109.3° |
| C20 | C19 | H19 | 108.5° | 108.9° |
| C20 | C19 | H20 | 108.5° | 108.5° |
| O4 | C21 | C20 | 102.7° | 111.7° |
| O4 | C21 | C25 | 109.5° | 107.4° |
| O4 | C21 | H16 | 110.5° | 108.1° |
| C23 | C24 | C25 | 113.6° | 111.2° |
| C23 | C24 | O5 | 110.7° | 109.0° |
| C24 | C23 | H6 | 106.9° | 108.0° |
| C23 | C24 | H10 | 107.0° | 108.9° |
| C17 | C16 | C15 | 132.4° | 126.4° |
| C16 | C17 | H21 | 108.2° | 107.8° |
| C17 | C16 | H25 | 113.8° | 117.0° |
| C20 | C21 | C25 | 116.7° | 111.8° |
| C20 | C21 | H16 | 108.7° | 109.3° |
| C21 | C20 | H17 | 108.7° | 110.3° |
| C21 | C20 | H18 | 108.8° | 110.2° |
| C21 | C25 | C24 | 109.2° | 108.0° |
| C21 | C25 | C26 | 113.1° | 109.9° |
| C21 | C25 | H12 | 106.5° | 109.5° |
| C25 | C21 | H16 | 108.6° | 108.5° |
| C5 | C9 | C11 | 111.2° | 112.2° |
| C9 | C5 | C4 | 121.3° | 114.6° |
| C9 | C5 | O2 | 108.3° | 109.5° |
| C5 | C9 | H37 | 104.9° | 106.1° |
| C9 | C11 | C12 | 118.5° | 112.9° |
| C9 | C11 | H35 | 107.2° | 108.5° |
| C9 | C11 | H36 | 107.2° | 110.5° |
| C11 | C9 | H37 | 105.2° | 106.3° |
| C4 | C5 | O2 | 110.0° | 108.6° |
| C5 | C4 | H41 | 111.9° | 113.9° |
| C5 | C4 | H42 | 111.9° | 110.1° |
| C5 | O2 | H43 | 109.5° | 114.0° |
| C25 | C24 | O5 | 109.9° | 109.2° |
| C24 | C25 | C26 | 114.4° | 109.8° |
| C25 | C24 | H10 | 106.9° | 109.2° |
| C24 | C25 | H12 | 106.5° | 109.9° |
| O5 | C24 | H10 | 108.5° | 109.2° |
| C24 | O5 | H11 | 109.5° | 114.0° |
| C16 | C15 | C14 | 123.3° | 118.0° |
| C16 | C15 | C28 | 125.0° | 123.6° |
| C15 | C16 | H25 | 113.8° | 116.6° |
| C26 | C25 | H12 | 106.6° | 109.6° |
| C25 | C26 | H13 | 109.5° | 109.5° |
| C25 | C26 | H14 | 109.5° | 109.4° |
| C25 | C26 | H15 | 109.4° | 109.5° |
| C11 | C12 | C13 | 112.3° | 108.7° |
| C11 | C12 | C14 | 109.5° | 109.9° |
| C11 | C12 | H31 | 108.1° | 111.1° |
| C12 | C11 | H35 | 107.2° | 108.3° |
| C12 | C11 | H36 | 107.2° | 109.6° |
| C13 | C12 | C14 | 110.5° | 108.0° |
| C13 | C12 | H31 | 108.2° | 109.8° |
| C12 | C13 | H32 | 109.5° | 109.5° |
| C12 | C13 | H33 | 109.5° | 109.5° |
| C12 | C13 | H34 | 109.5° | 109.5° |
| C12 | C14 | C15 | 118.9° | 110.0° |
| C12 | C14 | H29 | 107.1° | 109.1° |
| C12 | C14 | H30 | 107.1° | 109.9° |
| C14 | C12 | H31 | 108.1° | 109.2° |
| C14 | C15 | C28 | 111.6° | 118.4° |
| C15 | C14 | H29 | 107.1° | 108.6° |
| C15 | C14 | H30 | 107.1° | 109.6° |
| C15 | C28 | H26 | 109.5° | 109.4° |
| C15 | C28 | H27 | 109.5° | 109.5° |
| C15 | C28 | H28 | 109.5° | 109.5° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H7 | C27 | H9 | 109.5° | 109.5° |
| H8 | C27 | H9 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.4° | 109.4° |
| H13 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.4° | 109.4° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H28 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.4° | 109.4° |
| H29 | C14 | H30 | 109.4° | 109.5° |
| H32 | C13 | H33 | 109.4° | 109.5° |
| H32 | C13 | H34 | 109.5° | 109.5° |
| H33 | C13 | H34 | 109.5° | 109.5° |
| H35 | C11 | H36 | 109.5° | 106.8° |
| H38 | C10 | H39 | 109.5° | 109.4° |
| H38 | C10 | H40 | 109.4° | 109.4° |
| H39 | C10 | H40 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 108.5° |
| H44 | C8 | H45 | 109.5° | 109.5° |
| H44 | C8 | H46 | 109.5° | 109.4° |
| H45 | C8 | H46 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | O1 | 6.5° | 15.4° |
| O | C | C1 | C7 | 178.0° | 180.0° |
| O | C | C7 | C8 | 1.9° | 12.4° |
| O | C | C1 | C2 | 175.2° | 165.2° |
| O | C | C7 | C6 | 177.6° | 167.5° |
| O1 | C1 | C | C2 | 178.3° | 179.5° |
| O1 | C1 | C | C7 | 175.5° | 164.6° |
| O1 | C1 | C2 | C22 | 4.4° | 2.2° |
| O1 | C1 | C2 | C3 | 163.2° | 176.2° |
| C1 | C | C7 | C8 | 176.1° | 167.6° |
| C1 | C | C7 | C6 | 0.4° | 12.5° |
| C | C1 | C2 | C22 | 177.4° | 177.2° |
| C | C1 | C2 | C3 | 15.1° | 4.3° |
| C | C1 | O1 | H1 | 3.1° | 0.5° |
| C | C7 | C8 | C6 | 175.5° | 179.9° |
| C7 | C | C1 | C2 | 2.8° | 14.8° |
| C | C7 | C6 | C3 | 11.4° | 8.3° |
| C | C7 | C6 | O3 | 177.4° | 167.8° |
| C | C7 | C8 | H44 | 180.0° | 0.0° |
| C | C7 | C8 | H45 | 60.0° | 120.1° |
| C | C7 | C8 | H46 | 60.0° | 120.0° |
| C8 | C7 | C6 | C3 | 172.8° | 171.6° |
| C8 | C7 | C6 | O3 | 1.6° | 12.3° |
| C7 | C8 | H44 | H45 | 120.0° | 120.0° |
| C7 | C8 | H44 | H46 | 120.0° | 120.0° |
| C7 | C8 | H45 | H46 | 120.0° | 120.0° |
| C1 | C2 | C22 | C3 | 167.5° | 178.4° |
| C1 | C2 | C3 | C6 | 24.2° | 24.9° |
| C1 | C2 | C22 | O4 | 128.0° | 107.6° |
| C1 | C2 | C22 | C23 | 111.0° | 17.7° |
| C1 | C2 | C3 | C4 | 148.8° | 149.0° |
| C2 | C1 | O1 | H1 | 178.6° | 180.0° |
| C1 | C2 | C3 | H4 | 89.0° | 95.2° |
| C1 | C2 | C22 | H5 | 11.7° | 137.1° |
| C7 | C6 | C3 | C2 | 23.2° | 27.5° |
| C7 | C6 | C3 | O3 | 172.1° | 177.1° |
| C7 | C6 | C3 | C4 | 164.4° | 154.7° |
| C7 | C6 | O3 | C5 | 164.0° | 164.5° |
| C7 | C6 | C3 | H4 | 89.8° | 92.1° |
| C6 | C7 | C8 | H44 | 4.5° | 179.8° |
| C6 | C7 | C8 | H45 | 115.5° | 59.8° |
| C6 | C7 | C8 | H46 | 124.5° | 60.2° |
| C22 | C2 | C3 | C6 | 167.6° | 156.6° |
| C2 | C22 | O4 | C23 | 126.1° | 127.5° |
| C2 | C22 | O4 | H5 | 115.6° | 115.7° |
| C2 | C22 | C23 | H5 | 122.9° | 119.2° |
| C22 | C2 | C3 | C4 | 42.9° | 32.5° |
| C2 | C22 | C23 | C27 | 60.4° | 66.6° |
| C2 | C22 | O4 | C21 | 170.6° | 170.8° |
| C2 | C22 | C23 | C24 | 172.1° | 174.9° |
| C22 | C2 | C3 | H4 | 79.3° | 83.3° |
| C2 | C22 | C23 | H6 | 57.4° | 54.4° |
| C2 | C3 | C6 | C4 | 141.1° | 127.2° |
| C2 | C3 | C6 | H4 | 113.0° | 119.6° |
| C2 | C3 | C6 | O3 | 164.7° | 149.6° |
| C3 | C2 | C22 | O4 | 39.5° | 74.1° |
| C3 | C2 | C22 | C23 | 81.5° | 160.7° |
| C2 | C3 | C4 | H4 | 122.2° | 115.3° |
| C2 | C3 | C4 | C5 | 174.0° | 154.0° |
| C3 | C2 | C22 | H5 | 155.8° | 41.3° |
| C2 | C3 | C4 | H41 | 67.6° | 83.9° |
| C2 | C3 | C4 | H42 | 55.6° | 37.4° |
| C6 | C3 | C4 | H4 | 106.2° | 113.3° |
| C3 | C6 | O3 | C5 | 8.1° | 11.8° |
| C6 | C3 | C4 | C5 | 42.5° | 22.5° |
| C6 | C3 | C4 | H41 | 160.8° | 144.7° |
| C6 | C3 | C4 | H42 | 75.9° | 94.0° |
| O3 | C6 | C3 | C4 | 23.6° | 22.3° |
| C6 | O3 | C5 | C9 | 92.5° | 121.4° |
| C6 | O3 | C5 | C4 | 35.3° | 3.3° |
| C6 | O3 | C5 | O2 | 149.5° | 119.9° |
| O3 | C6 | C3 | H4 | 82.3° | 90.9° |
| C18 | C17 | C19 | C16 | 122.3° | 125.7° |
| C18 | C17 | C19 | H21 | 116.6° | 116.2° |
| C18 | C17 | C19 | C20 | 169.9° | 142.2° |
| C18 | C17 | C16 | H21 | 116.8° | 117.2° |
| C18 | C17 | C16 | C15 | 135.5° | 60.8° |
| C18 | C17 | C19 | H19 | 49.3° | 97.6° |
| C18 | C17 | C19 | H20 | 69.5° | 23.5° |
| C17 | C18 | H22 | H23 | 120.0° | 120.1° |
| C17 | C18 | H22 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H24 | 120.0° | 120.1° |
| C18 | C17 | C16 | H25 | 44.5° | 119.0° |
| C10 | C9 | C5 | O3 | 43.7° | 86.6° |
| C10 | C9 | C5 | C11 | 130.1° | 128.2° |
| C10 | C9 | C5 | H37 | 116.6° | 116.0° |
| C10 | C9 | C11 | H37 | 113.4° | 116.1° |
| C10 | C9 | C5 | C4 | 70.0° | 33.8° |
| C10 | C9 | C5 | O2 | 161.5° | 156.2° |
| C10 | C9 | C11 | C12 | 65.7° | 47.0° |
| C10 | C9 | C11 | H35 | 55.6° | 73.0° |
| C10 | C9 | C11 | H36 | 173.0° | 170.2° |
| C9 | C10 | H38 | H39 | 120.0° | 120.0° |
| C9 | C10 | H38 | H40 | 120.0° | 120.1° |
| C9 | C10 | H39 | H40 | 120.0° | 120.0° |
| O4 | C22 | C23 | H5 | 119.2° | 116.2° |
| O4 | C22 | C23 | C27 | 178.3° | 168.7° |
| O4 | C22 | C23 | C24 | 54.2° | 50.3° |
| C22 | O4 | C21 | C20 | 174.0° | 168.9° |
| C22 | O4 | C21 | C25 | 61.3° | 68.2° |
| O4 | C22 | C23 | H6 | 60.5° | 70.3° |
| C22 | O4 | C21 | H16 | 58.3° | 48.6° |
| C22 | C23 | C27 | C24 | 124.2° | 121.1° |
| C22 | C23 | C27 | H6 | 117.7° | 122.0° |
| C23 | C22 | O4 | C21 | 63.3° | 61.7° |
| C22 | C23 | C24 | H6 | 114.8° | 122.4° |
| C22 | C23 | C24 | C25 | 51.9° | 48.4° |
| C22 | C23 | C24 | O5 | 176.2° | 168.9° |
| C22 | C23 | C27 | H7 | 180.0° | 60.0° |
| C22 | C23 | C27 | H8 | 60.0° | 180.0° |
| C22 | C23 | C27 | H9 | 60.0° | 60.0° |
| C22 | C23 | C24 | H10 | 65.8° | 72.0° |
| C3 | C4 | C5 | O3 | 48.7° | 16.3° |
| C3 | C4 | C5 | C9 | 71.0° | 105.0° |
| C3 | C4 | C5 | H41 | 118.4° | 121.2° |
| C3 | C4 | C5 | H42 | 118.4° | 116.7° |
| C3 | C4 | C5 | O2 | 161.2° | 132.1° |
| C3 | C4 | H41 | H42 | 124.7° | 122.2° |
| O3 | C5 | C9 | C4 | 113.7° | 120.3° |
| O3 | C5 | C9 | O2 | 117.8° | 117.3° |
| O3 | C5 | C9 | C11 | 173.9° | 145.2° |
| O3 | C5 | C4 | O2 | 112.5° | 115.8° |
| O3 | C5 | C9 | H37 | 72.9° | 29.5° |
| O3 | C5 | C4 | H41 | 167.1° | 137.5° |
| O3 | C5 | C4 | H42 | 69.7° | 100.4° |
| O3 | C5 | O2 | H43 | 180.0° | 61.6° |
| C27 | C23 | C24 | H6 | 118.1° | 117.8° |
| C27 | C23 | C24 | C25 | 179.0° | 168.2° |
| C27 | C23 | C24 | O5 | 56.7° | 71.3° |
| C27 | C23 | C22 | H5 | 62.5° | 52.6° |
| C23 | C27 | H7 | H8 | 120.0° | 120.0° |
| C23 | C27 | H7 | H9 | 120.0° | 120.0° |
| C23 | C27 | H8 | H9 | 120.0° | 120.0° |
| C27 | C23 | C24 | H10 | 61.4° | 47.8° |
| C17 | C19 | C20 | H19 | 120.6° | 121.6° |
| C17 | C19 | C20 | H20 | 120.6° | 119.3° |
| C19 | C17 | C16 | H21 | 120.9° | 117.8° |
| C17 | C19 | C20 | C21 | 174.2° | 148.3° |
| C19 | C17 | C16 | C15 | 102.2° | 64.2° |
| C17 | C19 | C20 | H17 | 53.8° | 91.4° |
| C17 | C19 | C20 | H18 | 65.3° | 27.9° |
| C17 | C19 | H19 | H20 | 118.2° | 121.1° |
| C19 | C17 | C18 | H22 | 180.0° | 60.0° |
| C19 | C17 | C18 | H23 | 60.0° | 180.0° |
| C19 | C17 | C18 | H24 | 60.0° | 60.0° |
| C19 | C17 | C16 | H25 | 77.8° | 116.0° |
| C19 | C20 | C21 | O4 | 62.3° | 122.9° |
| C20 | C19 | C17 | C16 | 67.8° | 92.1° |
| C19 | C20 | C21 | H17 | 120.4° | 119.3° |
| C19 | C20 | C21 | H18 | 120.4° | 119.8° |
| C19 | C20 | C21 | C25 | 177.9° | 116.7° |
| C19 | C20 | C21 | H16 | 54.7° | 3.4° |
| C19 | C20 | H17 | H18 | 118.6° | 119.3° |
| C20 | C19 | H19 | H20 | 118.2° | 118.5° |
| C20 | C19 | C17 | H21 | 53.3° | 26.0° |
| O4 | C21 | C20 | C25 | 119.8° | 120.4° |
| O4 | C21 | C20 | H16 | 117.0° | 119.5° |
| O4 | C21 | C25 | H16 | 120.7° | 116.6° |
| O4 | C21 | C25 | C24 | 51.3° | 63.1° |
| O4 | C21 | C25 | C26 | 77.3° | 56.7° |
| C21 | O4 | C22 | H5 | 54.9° | 55.1° |
| O4 | C21 | C25 | H12 | 165.9° | 177.2° |
| O4 | C21 | C20 | H17 | 58.1° | 117.8° |
| O4 | C21 | C20 | H18 | 177.2° | 3.1° |
| C23 | C24 | C25 | C21 | 50.7° | 54.4° |
| C23 | C24 | C25 | O5 | 124.7° | 120.4° |
| C23 | C24 | C25 | H10 | 117.8° | 120.2° |
| C23 | C24 | O5 | H10 | 117.1° | 118.9° |
| C23 | C24 | C25 | C26 | 77.2° | 65.4° |
| C24 | C23 | C22 | H5 | 64.9° | 65.9° |
| C24 | C23 | C27 | H7 | 55.8° | 178.9° |
| C24 | C23 | C27 | H8 | 64.2° | 58.9° |
| C24 | C23 | C27 | H9 | 175.8° | 61.1° |
| C23 | C24 | O5 | H11 | 180.0° | 60.0° |
| C23 | C24 | C25 | H12 | 165.4° | 173.9° |
| C17 | C16 | C15 | H25 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 175.2° | 179.0° |
| C17 | C16 | C15 | C28 | 2.7° | 0.3° |
| C16 | C17 | C19 | H19 | 171.6° | 28.1° |
| C16 | C17 | C19 | H20 | 52.8° | 149.2° |
| C16 | C17 | C18 | H22 | 53.6° | 174.4° |
| C16 | C17 | C18 | H23 | 66.4° | 54.4° |
| C16 | C17 | C18 | H24 | 173.5° | 65.6° |
| C20 | C21 | C25 | H16 | 123.2° | 120.5° |
| C20 | C21 | C25 | C24 | 167.4° | 174.0° |
| C20 | C21 | C25 | C26 | 38.8° | 66.2° |
| C20 | C21 | C25 | H12 | 78.0° | 54.3° |
| C21 | C20 | H17 | H18 | 118.7° | 121.4° |
| C21 | C20 | C19 | H19 | 65.2° | 26.7° |
| C21 | C20 | C19 | H20 | 53.7° | 92.4° |
| C21 | C25 | C24 | C26 | 127.9° | 119.8° |
| C21 | C25 | C24 | H12 | 114.6° | 119.5° |
| C21 | C25 | C24 | O5 | 175.4° | 174.8° |
| C21 | C25 | C26 | H12 | 116.7° | 120.4° |
| C21 | C25 | C24 | H10 | 67.1° | 65.8° |
| C21 | C25 | C26 | H13 | 180.0° | 58.6° |
| C21 | C25 | C26 | H14 | 60.0° | 61.3° |
| C21 | C25 | C26 | H15 | 60.0° | 178.7° |
| C25 | C21 | C20 | H17 | 61.7° | 2.6° |
| C25 | C21 | C20 | H18 | 57.5° | 123.5° |
| C5 | C9 | C11 | H37 | 113.1° | 115.6° |
| C9 | C5 | C4 | O2 | 127.7° | 122.9° |
| C5 | C9 | C11 | C12 | 160.7° | 81.3° |
| C5 | C9 | C11 | H35 | 78.0° | 158.7° |
| C5 | C9 | C11 | H36 | 39.5° | 41.9° |
| C5 | C9 | C10 | H38 | 180.0° | 60.0° |
| C5 | C9 | C10 | H39 | 60.0° | 180.0° |
| C5 | C9 | C10 | H40 | 60.0° | 60.0° |
| C9 | C5 | C4 | H41 | 47.3° | 16.1° |
| C9 | C5 | C4 | H42 | 170.6° | 138.3° |
| C9 | C5 | O2 | H43 | 60.7° | 180.0° |
| C11 | C9 | C5 | C4 | 60.2° | 94.5° |
| C11 | C9 | C5 | O2 | 68.4° | 27.9° |
| C9 | C11 | C12 | H35 | 121.3° | 120.1° |
| C9 | C11 | C12 | H36 | 121.3° | 123.7° |
| C9 | C11 | C12 | C13 | 74.0° | 104.5° |
| C9 | C11 | C12 | C14 | 162.9° | 137.5° |
| C9 | C11 | C12 | H31 | 45.3° | 16.5° |
| C9 | C11 | H35 | H36 | 115.9° | 119.2° |
| C11 | C9 | C10 | H38 | 49.9° | 68.0° |
| C11 | C9 | C10 | H39 | 169.9° | 51.9° |
| C11 | C9 | C10 | H40 | 70.1° | 171.9° |
| C5 | C4 | C3 | H4 | 63.8° | 90.7° |
| C4 | C5 | C9 | H37 | 173.4° | 149.8° |
| C5 | C4 | H41 | H42 | 124.6° | 123.0° |
| C4 | C5 | O2 | H43 | 73.9° | 54.1° |
| O2 | C5 | C9 | H37 | 44.9° | 87.8° |
| O2 | C5 | C4 | H41 | 80.4° | 106.7° |
| O2 | C5 | C4 | H42 | 42.8° | 15.4° |
| C25 | C24 | O5 | H10 | 116.5° | 119.4° |
| C24 | C25 | C26 | H12 | 117.4° | 120.9° |
| C25 | C24 | C23 | H6 | 62.8° | 74.0° |
| C25 | C24 | O5 | H11 | 53.6° | 178.2° |
| C24 | C25 | C26 | H13 | 54.1° | 60.1° |
| C24 | C25 | C26 | H14 | 65.8° | 180.0° |
| C24 | C25 | C26 | H15 | 174.1° | 60.0° |
| C24 | C25 | C21 | H16 | 69.4° | 53.5° |
| O5 | C24 | C25 | C26 | 47.5° | 55.0° |
| O5 | C24 | C23 | H6 | 61.5° | 46.5° |
| O5 | C24 | C25 | H12 | 70.0° | 65.7° |
| C16 | C15 | C14 | C12 | 18.9° | 117.8° |
| C16 | C15 | C14 | C28 | 178.1° | 179.3° |
| C15 | C16 | C17 | H21 | 18.7° | 178.0° |
| C16 | C15 | C28 | H26 | 180.0° | 0.0° |
| C16 | C15 | C28 | H27 | 60.0° | 120.1° |
| C16 | C15 | C28 | H28 | 60.0° | 120.0° |
| C16 | C15 | C14 | H29 | 140.3° | 122.8° |
| C16 | C15 | C14 | H30 | 102.5° | 3.2° |
| C26 | C25 | C24 | H10 | 165.1° | 174.4° |
| C25 | C26 | H13 | H14 | 120.0° | 119.9° |
| C25 | C26 | H13 | H15 | 120.0° | 120.1° |
| C25 | C26 | H14 | H15 | 120.0° | 120.0° |
| C26 | C25 | C21 | H16 | 162.0° | 173.3° |
| C11 | C12 | C13 | C14 | 122.6° | 119.2° |
| C11 | C12 | C13 | H31 | 119.2° | 121.8° |
| C11 | C12 | C14 | H31 | 117.5° | 122.2° |
| C11 | C12 | C14 | C15 | 62.2° | 144.1° |
| C11 | C12 | C14 | H29 | 59.1° | 96.8° |
| C11 | C12 | C14 | H30 | 176.4° | 23.3° |
| C11 | C12 | C13 | H32 | 180.0° | 59.2° |
| C11 | C12 | C13 | H33 | 60.0° | 60.8° |
| C11 | C12 | C13 | H34 | 60.0° | 179.2° |
| C12 | C11 | H35 | H36 | 115.9° | 118.0° |
| C12 | C11 | C9 | H37 | 47.7° | 163.1° |
| C13 | C12 | C14 | H31 | 118.3° | 119.4° |
| C13 | C12 | C14 | C15 | 173.6° | 97.5° |
| C13 | C12 | C14 | H29 | 65.0° | 21.6° |
| C13 | C12 | C14 | H30 | 52.2° | 141.7° |
| C12 | C13 | H32 | H33 | 120.0° | 120.0° |
| C12 | C13 | H32 | H34 | 120.0° | 120.0° |
| C12 | C13 | H33 | H34 | 120.0° | 120.0° |
| C13 | C12 | C11 | H35 | 164.7° | 15.7° |
| C13 | C12 | C11 | H36 | 47.3° | 131.8° |
| C12 | C14 | C15 | H29 | 121.4° | 119.4° |
| C12 | C14 | C15 | H30 | 121.4° | 121.0° |
| C12 | C14 | C15 | C28 | 159.3° | 62.9° |
| C12 | C14 | H29 | H30 | 115.7° | 120.4° |
| C14 | C12 | C13 | H32 | 57.4° | 60.0° |
| C14 | C12 | C13 | H33 | 62.6° | 180.0° |
| C14 | C12 | C13 | H34 | 177.4° | 60.0° |
| C14 | C12 | C11 | H35 | 41.6° | 102.4° |
| C14 | C12 | C11 | H36 | 75.9° | 13.8° |
| C14 | C15 | C16 | H25 | 4.8° | 0.8° |
| C14 | C15 | C28 | H26 | 1.9° | 179.2° |
| C14 | C15 | C28 | H27 | 121.9° | 59.2° |
| C14 | C15 | C28 | H28 | 118.1° | 60.8° |
| C15 | C14 | H29 | H30 | 115.7° | 119.7° |
| C15 | C14 | C12 | H31 | 55.3° | 21.9° |
| C28 | C15 | C16 | H25 | 177.3° | 179.9° |
| C15 | C28 | H26 | H27 | 120.0° | 120.0° |
| C15 | C28 | H26 | H28 | 120.0° | 120.0° |
| C15 | C28 | H27 | H28 | 120.0° | 120.0° |
| C28 | C15 | C14 | H29 | 37.9° | 56.5° |
| C28 | C15 | C14 | H30 | 79.4° | 176.1° |
| H4 | C3 | C4 | H41 | 54.6° | 31.4° |
| H4 | C3 | C4 | H42 | 177.9° | 152.7° |
| H5 | C22 | C23 | H6 | 179.7° | 173.6° |
| H6 | C23 | C27 | H7 | 62.3° | 62.1° |
| H6 | C23 | C27 | H8 | 177.7° | 58.0° |
| H6 | C23 | C27 | H9 | 57.8° | 177.9° |
| H6 | C23 | C24 | H10 | 179.5° | 165.6° |
| H7 | C27 | H8 | H9 | 120.0° | 120.0° |
| H10 | C24 | O5 | H11 | 62.9° | 58.9° |
| H10 | C24 | C25 | H12 | 47.6° | 53.7° |
| H12 | C25 | C26 | H13 | 63.3° | 179.1° |
| H12 | C25 | C26 | H14 | 176.7° | 59.1° |
| H12 | C25 | C26 | H15 | 56.7° | 60.9° |
| H12 | C25 | C21 | H16 | 45.2° | 66.2° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C21 | C20 | H17 | 175.1° | 122.7° |
| H16 | C21 | C20 | H18 | 65.7° | 116.4° |
| H17 | C20 | C19 | H19 | 174.4° | 146.9° |
| H17 | C20 | C19 | H20 | 66.8° | 27.9° |
| H18 | C20 | C19 | H19 | 55.3° | 93.7° |
| H18 | C20 | C19 | H20 | 174.1° | 147.2° |
| H19 | C19 | C17 | H21 | 67.3° | 146.2° |
| H20 | C19 | C17 | H21 | 173.9° | 92.7° |
| H21 | C17 | C18 | H22 | 63.5° | 56.7° |
| H21 | C17 | C18 | H23 | 176.5° | 63.4° |
| H21 | C17 | C18 | H24 | 56.5° | 176.6° |
| H21 | C17 | C16 | H25 | 161.3° | 1.8° |
| H22 | C18 | H23 | H24 | 120.0° | 119.9° |
| H26 | C28 | H27 | H28 | 120.0° | 120.0° |
| H29 | C14 | C12 | H31 | 176.6° | 141.0° |
| H30 | C14 | C12 | H31 | 66.1° | 98.8° |
| H31 | C12 | C13 | H32 | 60.8° | 179.0° |
| H31 | C12 | C13 | H33 | 179.2° | 61.0° |
| H31 | C12 | C13 | H34 | 59.2° | 59.0° |
| H31 | C12 | C11 | H35 | 76.0° | 136.6° |
| H31 | C12 | C11 | H36 | 166.6° | 107.2° |
| H32 | C13 | H33 | H34 | 120.0° | 120.0° |
| H35 | C11 | C9 | H37 | 169.0° | 43.1° |
| H36 | C11 | C9 | H37 | 73.6° | 73.7° |
| H37 | C9 | C10 | H38 | 63.5° | 175.9° |
| H37 | C9 | C10 | H39 | 56.5° | 64.1° |
| H37 | C9 | C10 | H40 | 176.5° | 55.9° |
| H38 | C10 | H39 | H40 | 120.0° | 119.9° |
| H44 | C8 | H45 | H46 | 120.0° | 119.9° |
