WTS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| O8 | C25 | doub | 1.21Å | 1.22Å | |
| C25 | O7 | sing | 1.34Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O7 | C3 | sing | 1.45Å | 1.43Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C21 | O6 | doub | 1.21Å | 1.22Å | |
| C21 | O5 | sing | 1.34Å | 1.43Å | |
| O5 | C4 | sing | 1.46Å | 1.41Å | |
| C2 | C7 | sing | 1.52Å | 1.55Å | |
| C16 | C14 | sing | 1.51Å | 1.49Å | |
| C4 | C18 | sing | 1.52Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O1 | C7 | sing | 1.44Å | 1.42Å | |
| C15 | C14 | doub | 1.34Å | 1.34Å | |
| C15 | C8 | sing | 1.50Å | 1.53Å | |
| C14 | C13 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.50Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C5 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.54Å | 1.52Å | |
| C8 | C9 | sing | 1.52Å | 1.53Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C13 | C9 | sing | 1.51Å | 1.48Å | |
| C13 | O3 | doub | 1.22Å | 1.22Å | |
| C6 | C12 | sing | 1.49Å | 1.52Å | |
| O2 | C9 | sing | 1.44Å | 1.46Å | |
| C9 | C10 | sing | 1.48Å | 1.50Å | |
| C12 | C11 | doub | 1.29Å | 1.34Å | |
| C10 | C11 | sing | 1.48Å | 1.52Å | |
| C11 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | O4 | sing | 1.43Å | 1.43Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.11Å | 1.10Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C2 | H12 | sing | 1.10Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.10Å | 1.10Å | |
| C3 | H15 | sing | 1.10Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C27 | 107.4° | 109.5° |
| C26 | C25 | O8 | 121.9° | 120.0° |
| C26 | C25 | O7 | 117.0° | 120.0° |
| C25 | C26 | H34 | 110.0° | 109.5° |
| C25 | C26 | H35 | 110.0° | 109.5° |
| C26 | C27 | C28 | 109.8° | 109.5° |
| C27 | C26 | H34 | 110.0° | 109.5° |
| C27 | C26 | H35 | 110.0° | 109.5° |
| C26 | C27 | H36 | 109.4° | 109.5° |
| C26 | C27 | H37 | 109.4° | 109.5° |
| O8 | C25 | O7 | 121.1° | 120.0° |
| C25 | O7 | C3 | 114.8° | 117.0° |
| C28 | C27 | H36 | 109.4° | 109.4° |
| C28 | C27 | H37 | 109.4° | 109.4° |
| C27 | C28 | H38 | 109.5° | 109.5° |
| C27 | C28 | H39 | 109.5° | 109.5° |
| C27 | C28 | H40 | 109.5° | 109.5° |
| C24 | C23 | C22 | 108.3° | 109.5° |
| C24 | C23 | H29 | 109.7° | 109.5° |
| C24 | C23 | H30 | 109.8° | 109.5° |
| C23 | C24 | H31 | 109.5° | 109.5° |
| C23 | C24 | H32 | 109.5° | 109.5° |
| C23 | C24 | H33 | 109.5° | 109.4° |
| C23 | C22 | C21 | 109.4° | 109.5° |
| C23 | C22 | H27 | 109.5° | 109.5° |
| C23 | C22 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.8° | 109.5° |
| C22 | C23 | H30 | 109.8° | 109.4° |
| C1 | C2 | C3 | 104.0° | 106.4° |
| C1 | C2 | C7 | 117.6° | 113.5° |
| C1 | C2 | H12 | 107.9° | 108.1° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.4° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.4° |
| O7 | C3 | C2 | 110.2° | 108.9° |
| O7 | C3 | C4 | 107.8° | 109.8° |
| O7 | C3 | H15 | 107.4° | 107.3° |
| C22 | C21 | O6 | 123.0° | 119.9° |
| C22 | C21 | O5 | 117.0° | 120.0° |
| C21 | C22 | H27 | 109.5° | 109.5° |
| C21 | C22 | H28 | 109.5° | 109.4° |
| C2 | C3 | C4 | 118.5° | 115.0° |
| C3 | C2 | C7 | 111.6° | 110.3° |
| C3 | C2 | H12 | 107.8° | 108.8° |
| C2 | C3 | H15 | 106.2° | 107.4° |
| C3 | C4 | O5 | 115.2° | 113.9° |
| C3 | C4 | C18 | 122.8° | 123.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C4 | C3 | H15 | 106.2° | 108.2° |
| O6 | C21 | O5 | 120.0° | 120.0° |
| C21 | O5 | C4 | 121.7° | 117.0° |
| O5 | C4 | C18 | 109.8° | 114.8° |
| O5 | C4 | C5 | 116.8° | 114.6° |
| C2 | C7 | O1 | 107.2° | 107.9° |
| C2 | C7 | C8 | 121.0° | 118.1° |
| C2 | C7 | C6 | 105.0° | 106.7° |
| C7 | C2 | H12 | 107.6° | 109.7° |
| C16 | C14 | C15 | 123.9° | 124.3° |
| C16 | C14 | C13 | 124.4° | 124.6° |
| C14 | C16 | H1 | 109.5° | 109.5° |
| C14 | C16 | H2 | 109.5° | 109.4° |
| C14 | C16 | H3 | 109.5° | 109.5° |
| C18 | C4 | C5 | 60.7° | 60.2° |
| C4 | C18 | C19 | 119.8° | 118.8° |
| C4 | C18 | C5 | 59.9° | 60.2° |
| C4 | C18 | C20 | 114.6° | 116.5° |
| C4 | C5 | C18 | 59.4° | 59.6° |
| C4 | C5 | C6 | 113.2° | 118.0° |
| C4 | C5 | H14 | 118.7° | 116.6° |
| O1 | C7 | C8 | 103.0° | 107.4° |
| O1 | C7 | C6 | 109.1° | 106.9° |
| C7 | O1 | H11 | 109.5° | 114.0° |
| C14 | C15 | C8 | 111.8° | 110.2° |
| C15 | C14 | C13 | 111.5° | 111.0° |
| C14 | C15 | H4 | 124.1° | 124.1° |
| C15 | C8 | C7 | 118.7° | 117.5° |
| C15 | C8 | C9 | 100.8° | 104.9° |
| C8 | C15 | H4 | 124.1° | 125.6° |
| C15 | C8 | H10 | 104.6° | 105.9° |
| C14 | C13 | C9 | 105.4° | 105.6° |
| C14 | C13 | O3 | 127.6° | 127.1° |
| C8 | C7 | C6 | 111.1° | 109.3° |
| C7 | C8 | C9 | 121.9° | 115.2° |
| C7 | C8 | H10 | 104.3° | 106.2° |
| C7 | C6 | C5 | 114.6° | 109.7° |
| C7 | C6 | C12 | 114.4° | 113.2° |
| C7 | C6 | H13 | 106.6° | 107.2° |
| C19 | C18 | C5 | 120.5° | 120.3° |
| C19 | C18 | C20 | 115.9° | 114.1° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C5 | C18 | C20 | 114.5° | 116.8° |
| C18 | C5 | C6 | 114.7° | 119.5° |
| C18 | C5 | H14 | 118.5° | 117.4° |
| C18 | C20 | H24 | 109.5° | 109.4° |
| C18 | C20 | H25 | 109.5° | 109.5° |
| C18 | C20 | H26 | 109.5° | 109.4° |
| C8 | C9 | C13 | 109.1° | 104.2° |
| C8 | C9 | O2 | 98.6° | 108.1° |
| C8 | C9 | C10 | 123.9° | 116.5° |
| C9 | C8 | H10 | 104.6° | 106.3° |
| C5 | C6 | C12 | 107.0° | 111.4° |
| C5 | C6 | H13 | 106.7° | 108.6° |
| C6 | C5 | H14 | 118.6° | 114.8° |
| C9 | C13 | O3 | 126.9° | 127.2° |
| C13 | C9 | O2 | 86.9° | 105.6° |
| C13 | C9 | C10 | 126.9° | 114.7° |
| C6 | C12 | C11 | 126.7° | 125.3° |
| C6 | C12 | H9 | 116.6° | 117.2° |
| C12 | C6 | H13 | 106.9° | 106.5° |
| O2 | C9 | C10 | 89.3° | 107.1° |
| C9 | O2 | H41 | 109.5° | 114.0° |
| C9 | C10 | C11 | 112.4° | 116.7° |
| C9 | C10 | H7 | 108.7° | 108.3° |
| C9 | C10 | H8 | 108.8° | 108.2° |
| C12 | C11 | C10 | 124.1° | 126.1° |
| C12 | C11 | C17 | 118.2° | 116.9° |
| C11 | C12 | H9 | 116.7° | 117.4° |
| C10 | C11 | C17 | 117.7° | 117.0° |
| C11 | C10 | H7 | 108.8° | 108.0° |
| C11 | C10 | H8 | 108.7° | 108.0° |
| C11 | C17 | O4 | 113.7° | 109.4° |
| C11 | C17 | H19 | 108.4° | 109.4° |
| C11 | C17 | H20 | 108.4° | 109.5° |
| O4 | C17 | H19 | 108.4° | 109.5° |
| O4 | C17 | H20 | 108.4° | 109.5° |
| C17 | O4 | H42 | 109.5° | 114.0° |
| H1 | C16 | H2 | 109.4° | 109.4° |
| H1 | C16 | H3 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.4° | 107.2° |
| H16 | C1 | H17 | 109.5° | 109.6° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.6° |
| H24 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H33 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H34 | C26 | H35 | 109.4° | 109.4° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.4° | 109.4° |
| H38 | C28 | H40 | 109.5° | 109.5° |
| H39 | C28 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C27 | H34 | 119.7° | 120.0° |
| C25 | C26 | C27 | H35 | 119.7° | 120.0° |
| C26 | C25 | O8 | O7 | 179.1° | 180.0° |
| C25 | C26 | C27 | C28 | 102.3° | 180.0° |
| C26 | C25 | O7 | C3 | 174.7° | 180.0° |
| C25 | C26 | H34 | H35 | 120.9° | 120.0° |
| C25 | C26 | C27 | H36 | 17.7° | 60.0° |
| C25 | C26 | C27 | H37 | 137.6° | 60.0° |
| C27 | C26 | C25 | O8 | 163.3° | 0.0° |
| C27 | C26 | C25 | O7 | 17.6° | 180.0° |
| C26 | C27 | C28 | H36 | 120.1° | 120.0° |
| C26 | C27 | C28 | H37 | 120.1° | 120.0° |
| C27 | C26 | H34 | H35 | 120.9° | 120.0° |
| C26 | C27 | H36 | H37 | 119.8° | 120.1° |
| C26 | C27 | C28 | H38 | 180.0° | 60.0° |
| C26 | C27 | C28 | H39 | 60.0° | 60.0° |
| C26 | C27 | C28 | H40 | 60.0° | 180.0° |
| O8 | C25 | O7 | C3 | 4.4° | 0.0° |
| O8 | C25 | C26 | H34 | 43.6° | 120.0° |
| O8 | C25 | C26 | H35 | 77.0° | 120.0° |
| C25 | O7 | C3 | C2 | 121.8° | 90.0° |
| C25 | O7 | C3 | C4 | 107.5° | 143.2° |
| C25 | O7 | C3 | H15 | 6.6° | 25.9° |
| O7 | C25 | C26 | H34 | 137.3° | 60.0° |
| O7 | C25 | C26 | H35 | 102.1° | 60.0° |
| C28 | C27 | C26 | H34 | 138.0° | 60.0° |
| C28 | C27 | C26 | H35 | 17.4° | 60.0° |
| C28 | C27 | H36 | H37 | 119.8° | 119.9° |
| C27 | C28 | H38 | H39 | 120.0° | 120.0° |
| C27 | C28 | H38 | H40 | 120.0° | 120.0° |
| C27 | C28 | H39 | H40 | 120.0° | 120.0° |
| C24 | C23 | C22 | H29 | 119.8° | 120.0° |
| C24 | C23 | C22 | H30 | 119.8° | 120.0° |
| C24 | C23 | C22 | C21 | 93.8° | 180.0° |
| C24 | C23 | C22 | H27 | 26.2° | 60.0° |
| C24 | C23 | C22 | H28 | 146.2° | 60.0° |
| C24 | C23 | H29 | H30 | 120.5° | 120.0° |
| C23 | C24 | H31 | H32 | 120.0° | 120.0° |
| C23 | C24 | H31 | H33 | 120.0° | 120.0° |
| C23 | C24 | H32 | H33 | 120.0° | 120.0° |
| C23 | C22 | C21 | H27 | 120.0° | 120.0° |
| C23 | C22 | C21 | H28 | 120.0° | 120.0° |
| C23 | C22 | C21 | O6 | 55.6° | 0.0° |
| C23 | C22 | C21 | O5 | 124.0° | 179.9° |
| C23 | C22 | H27 | H28 | 120.0° | 120.0° |
| C22 | C23 | H29 | H30 | 120.5° | 120.0° |
| C22 | C23 | C24 | H31 | 180.0° | 60.0° |
| C22 | C23 | C24 | H32 | 60.0° | 60.0° |
| C22 | C23 | C24 | H33 | 60.0° | 180.0° |
| C1 | C2 | C3 | O7 | 75.0° | 72.6° |
| C1 | C2 | C3 | C7 | 127.7° | 123.5° |
| C1 | C2 | C3 | H12 | 114.4° | 116.2° |
| C1 | C2 | C3 | C4 | 160.3° | 163.6° |
| C1 | C2 | C7 | H12 | 122.0° | 121.0° |
| C1 | C2 | C7 | O1 | 65.0° | 74.5° |
| C1 | C2 | C7 | C8 | 52.5° | 47.4° |
| C1 | C2 | C7 | C6 | 179.1° | 171.0° |
| C1 | C2 | C3 | H15 | 41.1° | 43.2° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 119.9° |
| O7 | C3 | C2 | C4 | 124.8° | 123.7° |
| O7 | C3 | C2 | H15 | 116.0° | 115.8° |
| O7 | C3 | C4 | H15 | 114.9° | 116.8° |
| O7 | C3 | C4 | O5 | 80.9° | 88.1° |
| O7 | C3 | C2 | C7 | 157.3° | 163.9° |
| O7 | C3 | C4 | C18 | 57.4° | 58.5° |
| O7 | C3 | C4 | C5 | 130.2° | 130.5° |
| O7 | C3 | C2 | H12 | 39.4° | 43.6° |
| C22 | C21 | O6 | O5 | 179.6° | 179.9° |
| C22 | C21 | O5 | C4 | 175.5° | 180.0° |
| C21 | C22 | H27 | H28 | 120.0° | 119.9° |
| C21 | C22 | C23 | H29 | 146.4° | 60.0° |
| C21 | C22 | C23 | H30 | 26.1° | 60.0° |
| C2 | C3 | C4 | H15 | 119.2° | 120.0° |
| C2 | C3 | C4 | O5 | 153.1° | 148.7° |
| C3 | C2 | C7 | H12 | 118.0° | 119.7° |
| C2 | C3 | C4 | C18 | 68.6° | 64.7° |
| C2 | C3 | C4 | C5 | 4.2° | 7.3° |
| C3 | C2 | C7 | O1 | 55.0° | 44.8° |
| C3 | C2 | C7 | C8 | 172.5° | 166.6° |
| C3 | C2 | C7 | C6 | 60.9° | 69.8° |
| C3 | C2 | C1 | H16 | 180.0° | 178.6° |
| C3 | C2 | C1 | H17 | 60.0° | 58.5° |
| C3 | C2 | C1 | H18 | 60.0° | 61.3° |
| C3 | C4 | O5 | C21 | 82.0° | 38.0° |
| C3 | C4 | O5 | C18 | 143.6° | 149.4° |
| C3 | C4 | O5 | C5 | 150.1° | 143.6° |
| C4 | C3 | C2 | C7 | 32.5° | 40.1° |
| C3 | C4 | C18 | C5 | 109.4° | 108.4° |
| C3 | C4 | C18 | C19 | 0.7° | 1.9° |
| C3 | C4 | C18 | C20 | 145.5° | 144.4° |
| C3 | C4 | C5 | C6 | 6.9° | 3.6° |
| C4 | C3 | C2 | H12 | 85.4° | 80.1° |
| C3 | C4 | C5 | H14 | 139.1° | 139.2° |
| O6 | C21 | O5 | C4 | 4.9° | 0.1° |
| O6 | C21 | C22 | H27 | 64.3° | 120.0° |
| O6 | C21 | C22 | H28 | 175.6° | 120.0° |
| C21 | O5 | C4 | C18 | 134.4° | 111.4° |
| C21 | O5 | C4 | C5 | 68.1° | 178.4° |
| O5 | C21 | C22 | H27 | 116.1° | 60.0° |
| O5 | C21 | C22 | H28 | 4.0° | 60.0° |
| O5 | C4 | C18 | C5 | 110.3° | 105.3° |
| O5 | C4 | C18 | C19 | 139.5° | 144.4° |
| O5 | C4 | C18 | C20 | 5.2° | 1.8° |
| O5 | C4 | C5 | C6 | 155.3° | 144.8° |
| O5 | C4 | C5 | H14 | 9.3° | 2.0° |
| O5 | C4 | C3 | H15 | 33.9° | 28.7° |
| C2 | C7 | O1 | C8 | 128.7° | 128.3° |
| C2 | C7 | O1 | C6 | 113.2° | 114.5° |
| C2 | C7 | C8 | C15 | 42.5° | 45.6° |
| C2 | C7 | C8 | C6 | 123.7° | 122.2° |
| C2 | C7 | C8 | C9 | 83.8° | 78.7° |
| C2 | C7 | C6 | C5 | 66.8° | 64.7° |
| C2 | C7 | C6 | C12 | 169.1° | 170.2° |
| C2 | C7 | C8 | H10 | 158.4° | 163.9° |
| C2 | C7 | O1 | H11 | 62.2° | 60.0° |
| C2 | C7 | C6 | H13 | 51.1° | 53.0° |
| C7 | C2 | C3 | H15 | 86.7° | 80.3° |
| C7 | C2 | C1 | H16 | 56.1° | 59.9° |
| C7 | C2 | C1 | H17 | 176.1° | 180.0° |
| C7 | C2 | C1 | H18 | 63.9° | 60.1° |
| C16 | C14 | C15 | C13 | 176.0° | 176.6° |
| C16 | C14 | C15 | C8 | 171.1° | 176.5° |
| C16 | C14 | C13 | C9 | 165.3° | 166.1° |
| C16 | C14 | C13 | O3 | 10.3° | 13.8° |
| C14 | C16 | H1 | H2 | 120.0° | 119.9° |
| C14 | C16 | H1 | H3 | 120.0° | 120.1° |
| C14 | C16 | H2 | H3 | 120.0° | 120.0° |
| C16 | C14 | C15 | H4 | 8.9° | 5.4° |
| C4 | C18 | C19 | C5 | 70.5° | 70.3° |
| C4 | C18 | C19 | C20 | 144.3° | 143.4° |
| C4 | C18 | C5 | C20 | 105.4° | 106.6° |
| C18 | C4 | C5 | C6 | 106.0° | 109.5° |
| C18 | C4 | C5 | H14 | 108.0° | 107.7° |
| C18 | C4 | C3 | H15 | 172.3° | 175.3° |
| C4 | C18 | C19 | H21 | 180.0° | 60.0° |
| C4 | C18 | C19 | H22 | 60.0° | 180.0° |
| C4 | C18 | C19 | H23 | 60.0° | 60.0° |
| C4 | C18 | C20 | H24 | 180.0° | 60.0° |
| C4 | C18 | C20 | H25 | 60.0° | 180.0° |
| C4 | C18 | C20 | H26 | 60.0° | 60.0° |
| C4 | C5 | C6 | C7 | 39.5° | 32.2° |
| C4 | C5 | C6 | H14 | 146.1° | 143.5° |
| C4 | C5 | C6 | C12 | 167.5° | 158.3° |
| C4 | C5 | C6 | H13 | 78.3° | 84.7° |
| C5 | C4 | C3 | H15 | 114.9° | 112.7° |
| O1 | C7 | C8 | C15 | 77.0° | 76.5° |
| O1 | C7 | C8 | C6 | 116.7° | 115.6° |
| O1 | C7 | C8 | C9 | 156.6° | 159.1° |
| O1 | C7 | C6 | C5 | 47.8° | 50.6° |
| O1 | C7 | C6 | C12 | 76.3° | 74.5° |
| O1 | C7 | C8 | H10 | 38.9° | 41.7° |
| O1 | C7 | C2 | H12 | 173.0° | 164.5° |
| O1 | C7 | C6 | H13 | 165.6° | 168.3° |
| C14 | C15 | C8 | H4 | 180.0° | 178.1° |
| C14 | C15 | C8 | C7 | 133.2° | 135.6° |
| C14 | C15 | C8 | C9 | 2.7° | 6.2° |
| C15 | C14 | C13 | C9 | 10.7° | 17.3° |
| C15 | C14 | C13 | O3 | 173.7° | 162.8° |
| C15 | C14 | C16 | H1 | 180.0° | 90.0° |
| C15 | C14 | C16 | H2 | 60.0° | 150.0° |
| C15 | C14 | C16 | H3 | 60.0° | 30.0° |
| C14 | C15 | C8 | H10 | 111.1° | 106.0° |
| C8 | C15 | C14 | C13 | 5.0° | 6.9° |
| C15 | C8 | C7 | C9 | 126.3° | 124.4° |
| C15 | C8 | C7 | H10 | 115.9° | 118.2° |
| C15 | C8 | C7 | C6 | 166.3° | 167.9° |
| C15 | C8 | C9 | H10 | 108.4° | 112.0° |
| C15 | C8 | C9 | C13 | 9.2° | 16.0° |
| C15 | C8 | C9 | O2 | 98.9° | 96.0° |
| C15 | C8 | C9 | C10 | 166.1° | 143.4° |
| C14 | C13 | C9 | C8 | 12.2° | 20.0° |
| C14 | C13 | C9 | O3 | 175.7° | 179.9° |
| C14 | C13 | C9 | O2 | 110.3° | 93.8° |
| C14 | C13 | C9 | C10 | 162.9° | 148.4° |
| C13 | C14 | C16 | H1 | 4.5° | 86.2° |
| C13 | C14 | C16 | H2 | 124.5° | 33.8° |
| C13 | C14 | C16 | H3 | 115.5° | 153.8° |
| C13 | C14 | C15 | H4 | 175.1° | 171.2° |
| C7 | C8 | C9 | H10 | 117.6° | 117.3° |
| C8 | C7 | C6 | C5 | 160.7° | 166.5° |
| C7 | C8 | C9 | C13 | 124.8° | 146.7° |
| C8 | C7 | C6 | C12 | 36.6° | 41.4° |
| C7 | C8 | C9 | O2 | 35.1° | 34.7° |
| C7 | C8 | C9 | C10 | 59.9° | 85.9° |
| C7 | C8 | C15 | H4 | 46.8° | 46.3° |
| C8 | C7 | O1 | H11 | 169.0° | 68.2° |
| C8 | C7 | C2 | H12 | 69.5° | 73.6° |
| C8 | C7 | C6 | H13 | 81.4° | 75.8° |
| C7 | C6 | C5 | C18 | 105.2° | 101.2° |
| C6 | C7 | C8 | C9 | 39.9° | 43.5° |
| C7 | C6 | C5 | C12 | 128.0° | 126.1° |
| C7 | C6 | C5 | H13 | 117.8° | 116.9° |
| C7 | C6 | C12 | H13 | 117.9° | 117.6° |
| C7 | C6 | C12 | C11 | 69.3° | 75.9° |
| C7 | C6 | C12 | H9 | 110.7° | 109.1° |
| C6 | C7 | C8 | H10 | 77.9° | 73.9° |
| C6 | C7 | O1 | H11 | 50.9° | 174.5° |
| C6 | C7 | C2 | H12 | 57.1° | 49.9° |
| C7 | C6 | C5 | H14 | 106.6° | 111.3° |
| C19 | C18 | C5 | C20 | 145.7° | 145.5° |
| C19 | C18 | C5 | C6 | 5.5° | 0.9° |
| C19 | C18 | C5 | H14 | 142.7° | 145.8° |
| C18 | C19 | H21 | H22 | 120.0° | 120.1° |
| C18 | C19 | H21 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C19 | C18 | C20 | H24 | 33.9° | 84.3° |
| C19 | C18 | C20 | H25 | 153.9° | 35.8° |
| C19 | C18 | C20 | H26 | 86.2° | 155.8° |
| C18 | C5 | C6 | H14 | 148.2° | 147.5° |
| C18 | C5 | C6 | C12 | 126.8° | 132.7° |
| C18 | C5 | C6 | H13 | 12.6° | 15.7° |
| C5 | C18 | C19 | H21 | 109.5° | 10.3° |
| C5 | C18 | C19 | H22 | 130.5° | 109.7° |
| C5 | C18 | C19 | H23 | 10.5° | 130.3° |
| C5 | C18 | C20 | H24 | 113.5° | 128.1° |
| C5 | C18 | C20 | H25 | 6.6° | 111.8° |
| C5 | C18 | C20 | H26 | 126.5° | 8.2° |
| C20 | C18 | C5 | C6 | 151.2° | 146.3° |
| C20 | C18 | C5 | H14 | 2.9° | 0.3° |
| C20 | C18 | C19 | H21 | 35.7° | 156.7° |
| C20 | C18 | C19 | H22 | 84.3° | 36.6° |
| C20 | C18 | C19 | H23 | 155.7° | 83.4° |
| C18 | C20 | H24 | H25 | 120.0° | 120.1° |
| C18 | C20 | H24 | H26 | 120.0° | 119.9° |
| C18 | C20 | H25 | H26 | 120.0° | 119.9° |
| C8 | C9 | C13 | O2 | 98.1° | 113.8° |
| C8 | C9 | C13 | C10 | 175.1° | 128.5° |
| C8 | C9 | C13 | O3 | 172.1° | 160.1° |
| C8 | C9 | O2 | C10 | 124.2° | 126.3° |
| C8 | C9 | C10 | C11 | 9.4° | 24.9° |
| C9 | C8 | C15 | H4 | 177.3° | 175.7° |
| C8 | C9 | C10 | H7 | 111.0° | 97.2° |
| C8 | C9 | C10 | H8 | 129.9° | 146.9° |
| C8 | C9 | O2 | H41 | 132.0° | 174.5° |
| C5 | C6 | C12 | H13 | 114.1° | 118.3° |
| C5 | C6 | C12 | C11 | 162.7° | 160.0° |
| C5 | C6 | C12 | H9 | 17.3° | 15.0° |
| C13 | C9 | O2 | C10 | 127.0° | 122.7° |
| C13 | C9 | C10 | C11 | 165.0° | 147.0° |
| C13 | C9 | C10 | H7 | 74.5° | 24.8° |
| C13 | C9 | C10 | H8 | 44.6° | 91.1° |
| C13 | C9 | C8 | H10 | 117.5° | 95.9° |
| C13 | C9 | O2 | H41 | 23.2° | 63.4° |
| O3 | C13 | C9 | O2 | 74.0° | 86.1° |
| O3 | C13 | C9 | C10 | 12.8° | 31.6° |
| C6 | C12 | C11 | H9 | 180.0° | 175.0° |
| C6 | C12 | C11 | C10 | 0.2° | 12.0° |
| C6 | C12 | C11 | C17 | 177.8° | 170.6° |
| C12 | C6 | C5 | H14 | 21.4° | 14.8° |
| O2 | C9 | C10 | C11 | 109.4° | 96.2° |
| O2 | C9 | C10 | H7 | 11.1° | 141.7° |
| O2 | C9 | C10 | H8 | 130.2° | 25.8° |
| O2 | C9 | C8 | H10 | 152.7° | 152.0° |
| C9 | C10 | C11 | C12 | 51.5° | 24.2° |
| C9 | C10 | C11 | H7 | 120.4° | 122.3° |
| C9 | C10 | C11 | H8 | 120.5° | 122.1° |
| C9 | C10 | C11 | C17 | 130.8° | 153.2° |
| C9 | C10 | H7 | H8 | 118.7° | 116.6° |
| C10 | C9 | C8 | H10 | 57.8° | 31.4° |
| C10 | C9 | O2 | H41 | 103.8° | 59.3° |
| C12 | C11 | C10 | C17 | 177.6° | 177.4° |
| C12 | C11 | C17 | O4 | 122.1° | 2.4° |
| C12 | C11 | C10 | H7 | 68.9° | 146.5° |
| C12 | C11 | C10 | H8 | 172.0° | 97.9° |
| C11 | C12 | C6 | H13 | 48.6° | 41.7° |
| C12 | C11 | C17 | H19 | 1.5° | 122.4° |
| C12 | C11 | C17 | H20 | 117.3° | 117.6° |
| C10 | C11 | C17 | O4 | 60.1° | 180.0° |
| C11 | C10 | H7 | H8 | 118.7° | 116.1° |
| C10 | C11 | C12 | H9 | 179.8° | 173.0° |
| C10 | C11 | C17 | H19 | 179.3° | 60.0° |
| C10 | C11 | C17 | H20 | 60.5° | 60.0° |
| C11 | C17 | O4 | H19 | 120.6° | 120.0° |
| C11 | C17 | O4 | H20 | 120.6° | 120.0° |
| C17 | C11 | C10 | H7 | 108.7° | 30.9° |
| C17 | C11 | C10 | H8 | 10.4° | 84.7° |
| C17 | C11 | C12 | H9 | 2.2° | 4.4° |
| C11 | C17 | H19 | H20 | 118.1° | 120.0° |
| C11 | C17 | O4 | H42 | 180.0° | 179.9° |
| O4 | C17 | H19 | H20 | 118.1° | 120.0° |
| H1 | C16 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | C8 | H10 | 68.9° | 72.0° |
| H9 | C12 | C6 | H13 | 131.4° | 133.3° |
| H12 | C2 | C3 | H15 | 155.5° | 159.4° |
| H12 | C2 | C1 | H16 | 65.7° | 62.0° |
| H12 | C2 | C1 | H17 | 54.3° | 58.1° |
| H12 | C2 | C1 | H18 | 174.3° | 178.0° |
| H13 | C6 | C5 | H14 | 135.6° | 131.8° |
| H16 | C1 | H17 | H18 | 120.0° | 120.1° |
| H19 | C17 | O4 | H42 | 59.4° | 60.0° |
| H20 | C17 | O4 | H42 | 59.4° | 60.0° |
| H21 | C19 | H22 | H23 | 120.0° | 119.9° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
| H27 | C22 | C23 | H29 | 93.6° | 180.0° |
| H27 | C22 | C23 | H30 | 146.1° | 60.0° |
| H28 | C22 | C23 | H29 | 26.5° | 60.0° |
| H28 | C22 | C23 | H30 | 93.9° | 180.0° |
| H29 | C23 | C24 | H31 | 60.2° | 180.0° |
| H29 | C23 | C24 | H32 | 59.8° | 60.0° |
| H29 | C23 | C24 | H33 | 179.8° | 60.0° |
| H30 | C23 | C24 | H31 | 60.2° | 60.0° |
| H30 | C23 | C24 | H32 | 179.8° | 180.0° |
| H30 | C23 | C24 | H33 | 59.8° | 60.0° |
| H31 | C24 | H32 | H33 | 120.0° | 120.0° |
| H34 | C26 | C27 | H36 | 102.0° | 180.0° |
| H34 | C26 | C27 | H37 | 17.9° | 59.9° |
| H35 | C26 | C27 | H36 | 137.4° | 60.0° |
| H35 | C26 | C27 | H37 | 102.7° | 179.9° |
| H36 | C27 | C28 | H38 | 60.0° | 180.0° |
| H36 | C27 | C28 | H39 | 179.9° | 60.0° |
| H36 | C27 | C28 | H40 | 60.1° | 60.0° |
| H37 | C27 | C28 | H38 | 59.9° | 60.0° |
| H37 | C27 | C28 | H39 | 60.1° | 180.0° |
| H37 | C27 | C28 | H40 | 179.9° | 60.0° |
| H38 | C28 | H39 | H40 | 120.0° | 119.9° |
