WSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S1 | doub | 1.42Å | 1.45Å | |
| C18 | C17 | sing | 1.49Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | C21 | sing | 1.52Å | 1.53Å | |
| C23 | C24 | sing | 1.52Å | 1.53Å | |
| S1 | O3 | doub | 1.42Å | 1.45Å | |
| S1 | O4 | sing | 1.52Å | 1.45Å | |
| S1 | O2 | sing | 1.52Å | 1.60Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.56Å | |
| C19 | C14 | sing | 1.49Å | 1.55Å | |
| C16 | O2 | sing | 1.43Å | 1.48Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C21 | C11 | sing | 1.54Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C24 | C7 | sing | 1.52Å | 1.56Å | |
| C24 | C10 | sing | 1.55Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.52Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C2 | O1 | doub | 1.21Å | 1.21Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | F1 | sing | 1.40Å | 1.79Å | |
| O4 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S1 | O3 | 112.9° | 123.2° |
| O5 | S1 | O4 | 112.8° | 106.5° |
| O5 | S1 | O2 | 107.2° | 106.4° |
| C17 | C18 | C19 | 113.7° | 109.8° |
| C18 | C17 | C16 | 111.0° | 108.5° |
| C18 | C17 | H15 | 109.1° | 110.0° |
| C18 | C17 | H16 | 109.1° | 110.0° |
| C17 | C18 | H31 | 108.4° | 109.5° |
| C17 | C18 | H32 | 108.4° | 109.5° |
| C18 | C19 | C20 | 108.0° | 109.5° |
| C18 | C19 | C21 | 111.7° | 109.4° |
| C18 | C19 | C14 | 107.6° | 110.1° |
| C19 | C18 | H31 | 108.4° | 109.1° |
| C19 | C18 | H32 | 108.4° | 109.5° |
| C17 | C16 | O2 | 108.2° | 109.5° |
| C17 | C16 | C15 | 110.3° | 109.5° |
| C16 | C17 | H15 | 109.1° | 109.4° |
| C16 | C17 | H16 | 109.1° | 109.4° |
| C17 | C16 | H30 | 109.6° | 109.5° |
| C6 | C5 | C7 | 113.2° | 109.4° |
| C6 | C5 | C4 | 109.9° | 109.5° |
| C6 | C5 | H3 | 108.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.4° |
| C23 | C22 | C21 | 112.3° | 111.4° |
| C22 | C23 | C24 | 112.1° | 107.3° |
| C23 | C22 | H21 | 108.8° | 109.1° |
| C23 | C22 | H22 | 108.8° | 109.1° |
| C22 | C23 | H33 | 108.8° | 109.9° |
| C22 | C23 | H34 | 108.8° | 109.9° |
| C22 | C21 | C19 | 114.4° | 110.6° |
| C22 | C21 | C11 | 111.2° | 112.2° |
| C22 | C21 | H20 | 106.1° | 107.1° |
| C21 | C22 | H21 | 108.8° | 109.1° |
| C21 | C22 | H22 | 108.8° | 109.1° |
| C23 | C24 | C25 | 111.1° | 109.7° |
| C23 | C24 | C7 | 117.0° | 116.5° |
| C23 | C24 | C10 | 107.7° | 107.4° |
| C24 | C23 | H33 | 108.8° | 109.9° |
| C24 | C23 | H34 | 108.8° | 109.9° |
| O3 | S1 | O4 | 112.7° | 106.4° |
| O3 | S1 | O2 | 104.8° | 106.4° |
| O4 | S1 | O2 | 105.6° | 107.2° |
| S1 | O4 | H25 | 109.5° | 114.0° |
| S1 | O2 | C16 | 120.0° | 114.0° |
| C20 | C19 | C21 | 110.9° | 109.5° |
| C20 | C19 | C14 | 110.6° | 106.8° |
| C19 | C20 | H17 | 109.5° | 109.4° |
| C19 | C20 | H18 | 109.4° | 109.5° |
| C19 | C20 | H19 | 109.5° | 109.4° |
| C21 | C19 | C14 | 108.0° | 111.5° |
| C19 | C21 | C11 | 112.5° | 109.1° |
| C19 | C21 | H20 | 105.9° | 108.9° |
| C19 | C14 | C15 | 112.1° | 108.3° |
| C19 | C14 | C13 | 111.4° | 110.1° |
| C19 | C14 | H29 | 107.2° | 110.1° |
| O2 | C16 | C15 | 109.0° | 109.5° |
| O2 | C16 | H30 | 110.1° | 109.5° |
| C16 | C15 | C14 | 112.4° | 109.5° |
| C16 | C15 | H13 | 108.7° | 109.4° |
| C16 | C15 | H14 | 108.7° | 109.5° |
| C15 | C16 | H30 | 109.6° | 109.5° |
| C21 | C11 | C10 | 109.0° | 107.2° |
| C21 | C11 | C12 | 110.9° | 109.1° |
| C11 | C21 | H20 | 106.0° | 108.9° |
| C21 | C11 | H26 | 108.4° | 109.8° |
| C25 | C24 | C7 | 110.5° | 109.8° |
| C25 | C24 | C10 | 112.2° | 109.7° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.5° | 109.5° |
| C7 | C5 | C4 | 108.5° | 109.5° |
| C5 | C7 | C24 | 121.5° | 110.3° |
| C5 | C7 | C8 | 112.1° | 110.2° |
| C7 | C5 | H3 | 108.3° | 109.5° |
| C5 | C7 | H7 | 106.7° | 110.2° |
| C5 | C4 | C3 | 114.9° | 109.5° |
| C5 | C4 | H1 | 108.1° | 109.5° |
| C5 | C4 | H2 | 108.1° | 109.5° |
| C4 | C5 | H3 | 108.3° | 109.5° |
| C7 | C24 | C10 | 97.7° | 103.3° |
| C24 | C7 | C8 | 102.6° | 105.3° |
| C24 | C7 | H7 | 106.5° | 110.4° |
| C24 | C10 | C11 | 116.0° | 107.7° |
| C24 | C10 | C9 | 103.9° | 101.7° |
| C24 | C10 | H10 | 105.4° | 110.5° |
| C4 | C3 | C2 | 112.6° | 109.5° |
| C3 | C4 | H1 | 108.1° | 109.4° |
| C3 | C4 | H2 | 108.1° | 109.5° |
| C4 | C3 | H38 | 108.7° | 109.5° |
| C4 | C3 | H39 | 108.7° | 109.5° |
| C3 | C2 | C1 | 116.4° | 120.0° |
| C3 | C2 | O1 | 121.9° | 120.0° |
| C2 | C3 | H38 | 108.7° | 109.4° |
| C2 | C3 | H39 | 108.7° | 109.5° |
| C7 | C8 | C9 | 106.4° | 106.4° |
| C8 | C7 | H7 | 106.5° | 110.3° |
| C7 | C8 | H8 | 110.2° | 110.0° |
| C7 | C8 | H9 | 110.2° | 110.1° |
| C15 | C14 | C13 | 111.0° | 109.4° |
| C14 | C15 | H13 | 108.7° | 109.5° |
| C14 | C15 | H14 | 108.7° | 109.5° |
| C15 | C14 | H29 | 107.3° | 109.5° |
| C14 | C13 | C12 | 110.4° | 109.5° |
| C14 | C13 | H11 | 109.2° | 109.5° |
| C14 | C13 | H12 | 109.2° | 109.4° |
| C13 | C14 | H29 | 107.5° | 109.5° |
| C10 | C11 | C12 | 111.2° | 112.0° |
| C11 | C10 | C9 | 119.1° | 115.8° |
| C11 | C10 | H10 | 105.7° | 110.3° |
| C10 | C11 | H26 | 108.7° | 108.2° |
| C11 | C12 | C13 | 111.6° | 109.5° |
| C12 | C11 | H26 | 108.6° | 110.5° |
| C11 | C12 | H27 | 108.9° | 109.5° |
| C11 | C12 | H28 | 108.9° | 109.5° |
| C1 | C2 | O1 | 121.8° | 120.0° |
| C2 | C1 | H23 | 108.1° | 109.5° |
| C2 | C1 | H24 | 108.1° | 109.5° |
| C2 | C1 | F1 | 114.9° | 109.5° |
| C10 | C9 | C8 | 103.3° | 102.9° |
| C9 | C10 | H10 | 105.6° | 110.4° |
| C10 | C9 | H40 | 111.0° | 110.8° |
| C10 | C9 | H41 | 111.0° | 110.7° |
| C9 | C8 | H8 | 110.2° | 110.1° |
| C9 | C8 | H9 | 110.2° | 110.1° |
| C8 | C9 | H40 | 111.0° | 110.7° |
| C8 | C9 | H41 | 111.0° | 110.7° |
| C12 | C13 | H11 | 109.2° | 109.5° |
| C12 | C13 | H12 | 109.2° | 109.4° |
| C13 | C12 | H27 | 108.9° | 109.5° |
| C13 | C12 | H28 | 108.9° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.4° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 110.1° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.4° | 109.0° |
| H23 | C1 | H24 | 109.4° | 109.5° |
| H23 | C1 | F1 | 108.1° | 109.4° |
| H24 | C1 | F1 | 108.1° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.9° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| H35 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H38 | C3 | H39 | 109.5° | 109.5° |
| H40 | C9 | H41 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S1 | O3 | O4 | 129.3° | 123.0° |
| O5 | S1 | O3 | O2 | 116.4° | 122.9° |
| O5 | S1 | O4 | O2 | 116.8° | 113.5° |
| O5 | S1 | O2 | C16 | 57.8° | 171.5° |
| O5 | S1 | O4 | H25 | 129.4° | 66.5° |
| C17 | C18 | C19 | H31 | 120.6° | 120.0° |
| C17 | C18 | C19 | H32 | 120.7° | 120.3° |
| C18 | C17 | C16 | H15 | 120.2° | 120.0° |
| C18 | C17 | C16 | H16 | 120.2° | 120.0° |
| C17 | C18 | C19 | C20 | 174.2° | 179.2° |
| C17 | C18 | C19 | C21 | 63.6° | 60.7° |
| C17 | C18 | C19 | C14 | 54.7° | 62.1° |
| C18 | C17 | C16 | O2 | 174.6° | 179.9° |
| C18 | C17 | C16 | C15 | 55.4° | 59.9° |
| C18 | C17 | H15 | H16 | 119.3° | 121.0° |
| C18 | C17 | C16 | H30 | 65.3° | 60.0° |
| C17 | C18 | H31 | H32 | 118.1° | 120.0° |
| C19 | C18 | C17 | C16 | 57.1° | 60.3° |
| C18 | C19 | C21 | C22 | 58.3° | 55.5° |
| C18 | C19 | C20 | C21 | 122.7° | 120.0° |
| C18 | C19 | C20 | C14 | 117.6° | 119.1° |
| C18 | C19 | C21 | C14 | 118.2° | 122.0° |
| C18 | C19 | C21 | C11 | 173.5° | 179.4° |
| C18 | C19 | C14 | C15 | 53.5° | 60.5° |
| C18 | C19 | C14 | C13 | 178.6° | 179.9° |
| C19 | C18 | C17 | H15 | 177.3° | 59.4° |
| C19 | C18 | C17 | H16 | 63.1° | 180.0° |
| C18 | C19 | C20 | H17 | 180.0° | 60.0° |
| C18 | C19 | C20 | H18 | 60.0° | 180.0° |
| C18 | C19 | C20 | H19 | 60.0° | 60.0° |
| C18 | C19 | C21 | H20 | 58.2° | 61.9° |
| C18 | C19 | C14 | H29 | 64.0° | 59.1° |
| C19 | C18 | H31 | H32 | 118.0° | 119.7° |
| C17 | C16 | O2 | S1 | 88.3° | 95.0° |
| C17 | C16 | O2 | C15 | 119.9° | 120.0° |
| C17 | C16 | O2 | H30 | 119.8° | 120.0° |
| C17 | C16 | C15 | H30 | 120.8° | 120.0° |
| C17 | C16 | C15 | C14 | 56.0° | 59.9° |
| C17 | C16 | C15 | H13 | 176.4° | 60.1° |
| C17 | C16 | C15 | H14 | 64.5° | 180.0° |
| C16 | C17 | H15 | H16 | 119.3° | 119.9° |
| C16 | C17 | C18 | H31 | 177.7° | 180.0° |
| C16 | C17 | C18 | H32 | 63.5° | 59.9° |
| C6 | C5 | C7 | C4 | 122.3° | 120.0° |
| C6 | C5 | C7 | H3 | 120.3° | 120.0° |
| C6 | C5 | C4 | H3 | 118.4° | 120.0° |
| C6 | C5 | C7 | C24 | 68.6° | 62.7° |
| C6 | C5 | C4 | C3 | 45.3° | 65.1° |
| C6 | C5 | C7 | C8 | 169.8° | 178.5° |
| C6 | C5 | C4 | H1 | 166.1° | 175.0° |
| C6 | C5 | C4 | H2 | 75.4° | 54.9° |
| C5 | C6 | H4 | H5 | 120.0° | 120.1° |
| C5 | C6 | H4 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C6 | C5 | C7 | H7 | 53.5° | 59.5° |
| C23 | C22 | C21 | H21 | 120.4° | 120.5° |
| C23 | C22 | C21 | H22 | 120.4° | 120.6° |
| C22 | C23 | C24 | H33 | 120.4° | 119.5° |
| C22 | C23 | C24 | H34 | 120.4° | 119.5° |
| C23 | C22 | C21 | C19 | 175.8° | 176.5° |
| C23 | C22 | C21 | C11 | 55.4° | 54.4° |
| C22 | C23 | C24 | C25 | 69.2° | 54.8° |
| C22 | C23 | C24 | C7 | 162.7° | 179.7° |
| C22 | C23 | C24 | C10 | 54.0° | 64.4° |
| C23 | C22 | C21 | H20 | 59.5° | 65.0° |
| C23 | C22 | H21 | H22 | 118.7° | 119.1° |
| C22 | C23 | H33 | H34 | 118.8° | 121.1° |
| C21 | C22 | C23 | C24 | 56.7° | 57.5° |
| C22 | C21 | C19 | C20 | 62.2° | 64.6° |
| C22 | C21 | C19 | C11 | 128.1° | 123.9° |
| C22 | C21 | C19 | H20 | 116.5° | 117.4° |
| C22 | C21 | C19 | C14 | 176.5° | 177.5° |
| C22 | C21 | C11 | H20 | 114.9° | 118.3° |
| C22 | C21 | C11 | C10 | 53.0° | 56.7° |
| C22 | C21 | C11 | C12 | 175.7° | 178.2° |
| C21 | C22 | H21 | H22 | 118.7° | 119.0° |
| C22 | C21 | C11 | H26 | 65.1° | 60.6° |
| C21 | C22 | C23 | H33 | 63.7° | 62.0° |
| C21 | C22 | C23 | H34 | 177.1° | 176.9° |
| C23 | C24 | C25 | C7 | 131.5° | 129.3° |
| C23 | C24 | C25 | C10 | 120.6° | 117.8° |
| C23 | C24 | C7 | C5 | 74.5° | 94.3° |
| C23 | C24 | C7 | C10 | 114.4° | 117.5° |
| C23 | C24 | C7 | C8 | 159.5° | 146.8° |
| C23 | C24 | C10 | C11 | 55.7° | 69.6° |
| C23 | C24 | C10 | C9 | 171.7° | 168.2° |
| C23 | C24 | C7 | H7 | 47.7° | 27.7° |
| C23 | C24 | C10 | H10 | 60.8° | 51.0° |
| C24 | C23 | C22 | H21 | 63.7° | 177.9° |
| C24 | C23 | C22 | H22 | 177.1° | 63.1° |
| C24 | C23 | H33 | H34 | 118.8° | 121.1° |
| C23 | C24 | C25 | H35 | 180.0° | 67.8° |
| C23 | C24 | C25 | H36 | 60.0° | 52.1° |
| C23 | C24 | C25 | H37 | 60.0° | 172.2° |
| O3 | S1 | O4 | O2 | 113.8° | 113.5° |
| O3 | S1 | O2 | C16 | 178.0° | 38.5° |
| O3 | S1 | O4 | H25 | 0.0° | 66.5° |
| O4 | S1 | O2 | C16 | 62.7° | 74.9° |
| S1 | O2 | C16 | C15 | 151.7° | 145.0° |
| S1 | O2 | C16 | H30 | 31.5° | 25.0° |
| O2 | S1 | O4 | H25 | 113.8° | 180.0° |
| C20 | C19 | C21 | C14 | 121.3° | 118.0° |
| C20 | C19 | C21 | C11 | 65.9° | 59.4° |
| C20 | C19 | C14 | C15 | 171.3° | 179.3° |
| C20 | C19 | C14 | C13 | 63.5° | 61.1° |
| C19 | C20 | H17 | H18 | 120.0° | 120.0° |
| C19 | C20 | H17 | H19 | 120.0° | 119.9° |
| C19 | C20 | H18 | H19 | 120.0° | 120.0° |
| C20 | C19 | C21 | H20 | 178.7° | 178.1° |
| C20 | C19 | C14 | H29 | 53.8° | 59.7° |
| C20 | C19 | C18 | H31 | 65.2° | 60.8° |
| C20 | C19 | C18 | H32 | 53.5° | 59.0° |
| C19 | C21 | C11 | H20 | 115.3° | 118.7° |
| C21 | C19 | C14 | C15 | 67.2° | 61.1° |
| C21 | C19 | C14 | C13 | 57.9° | 58.5° |
| C19 | C21 | C11 | C10 | 177.2° | 179.7° |
| C19 | C21 | C11 | C12 | 54.5° | 58.8° |
| C21 | C19 | C20 | H17 | 57.3° | 180.0° |
| C21 | C19 | C20 | H18 | 62.7° | 60.0° |
| C21 | C19 | C20 | H19 | 177.3° | 60.0° |
| C19 | C21 | C22 | H21 | 63.7° | 63.0° |
| C19 | C21 | C22 | H22 | 55.4° | 56.0° |
| C19 | C21 | C11 | H26 | 64.7° | 62.4° |
| C21 | C19 | C14 | H29 | 175.3° | 179.3° |
| C21 | C19 | C18 | H31 | 57.0° | 59.3° |
| C21 | C19 | C18 | H32 | 175.7° | 179.0° |
| C19 | C14 | C15 | C16 | 56.4° | 60.0° |
| C14 | C19 | C21 | C11 | 55.4° | 58.6° |
| C19 | C14 | C15 | C13 | 125.4° | 120.0° |
| C19 | C14 | C15 | H29 | 117.4° | 120.0° |
| C19 | C14 | C13 | H29 | 117.1° | 121.1° |
| C19 | C14 | C13 | C12 | 59.8° | 58.7° |
| C19 | C14 | C13 | H11 | 60.4° | 178.8° |
| C19 | C14 | C13 | H12 | 179.9° | 61.2° |
| C19 | C14 | C15 | H13 | 176.9° | 60.0° |
| C19 | C14 | C15 | H14 | 64.0° | 179.9° |
| C14 | C19 | C20 | H17 | 62.5° | 59.1° |
| C14 | C19 | C20 | H18 | 177.6° | 60.8° |
| C14 | C19 | C20 | H19 | 57.6° | 179.1° |
| C14 | C19 | C21 | H20 | 60.0° | 60.1° |
| C14 | C19 | C18 | H31 | 175.3° | 177.9° |
| C14 | C19 | C18 | H32 | 65.9° | 58.2° |
| O2 | C16 | C15 | H30 | 120.6° | 120.0° |
| O2 | C16 | C15 | C14 | 174.6° | 180.0° |
| O2 | C16 | C15 | H13 | 64.9° | 59.9° |
| O2 | C16 | C15 | H14 | 54.2° | 60.0° |
| O2 | C16 | C17 | H15 | 65.2° | 59.9° |
| O2 | C16 | C17 | H16 | 54.3° | 60.0° |
| C16 | C15 | C14 | H13 | 120.5° | 120.0° |
| C16 | C15 | C14 | H14 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 178.2° | 180.0° |
| C16 | C15 | H13 | H14 | 118.6° | 119.9° |
| C15 | C16 | C17 | H15 | 175.6° | 60.1° |
| C15 | C16 | C17 | H16 | 64.8° | 180.0° |
| C16 | C15 | C14 | H29 | 61.0° | 60.0° |
| C21 | C11 | C10 | C24 | 55.6° | 63.3° |
| C21 | C11 | C10 | C12 | 122.5° | 119.7° |
| C21 | C11 | C10 | H26 | 117.9° | 118.3° |
| C21 | C11 | C12 | H26 | 119.0° | 120.8° |
| C21 | C11 | C10 | C9 | 179.2° | 176.4° |
| C21 | C11 | C12 | C13 | 54.4° | 60.4° |
| C21 | C11 | C10 | H10 | 60.8° | 57.3° |
| C11 | C21 | C22 | H21 | 65.1° | 174.9° |
| C11 | C21 | C22 | H22 | 175.8° | 66.2° |
| C21 | C11 | C12 | H27 | 65.9° | 179.6° |
| C21 | C11 | C12 | H28 | 174.7° | 59.6° |
| C25 | C24 | C7 | C5 | 53.9° | 31.2° |
| C25 | C24 | C7 | C10 | 117.2° | 117.0° |
| C25 | C24 | C7 | C8 | 72.1° | 87.7° |
| C25 | C24 | C10 | C11 | 66.8° | 49.6° |
| C25 | C24 | C10 | C9 | 65.8° | 72.6° |
| C25 | C24 | C7 | H7 | 176.1° | 153.2° |
| C25 | C24 | C10 | H10 | 176.7° | 170.2° |
| C25 | C24 | C23 | H33 | 170.4° | 174.3° |
| C25 | C24 | C23 | H34 | 51.2° | 64.7° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C24 | C25 | H35 | H37 | 120.0° | 120.0° |
| C24 | C25 | H36 | H37 | 120.0° | 120.1° |
| C7 | C5 | C4 | H3 | 117.4° | 120.0° |
| C5 | C7 | C24 | C8 | 126.1° | 118.9° |
| C5 | C7 | C24 | H7 | 122.2° | 122.0° |
| C5 | C7 | C24 | C10 | 171.1° | 148.2° |
| C7 | C5 | C4 | C3 | 169.6° | 175.0° |
| C5 | C7 | C8 | H7 | 116.3° | 121.9° |
| C5 | C7 | C8 | C9 | 157.1° | 122.4° |
| C7 | C5 | C4 | H1 | 69.6° | 55.0° |
| C7 | C5 | C4 | H2 | 48.8° | 65.0° |
| C7 | C5 | C6 | H4 | 180.0° | 60.0° |
| C7 | C5 | C6 | H5 | 60.0° | 60.0° |
| C7 | C5 | C6 | H6 | 60.0° | 180.0° |
| C5 | C7 | C8 | H8 | 83.3° | 118.4° |
| C5 | C7 | C8 | H9 | 37.6° | 3.2° |
| C4 | C5 | C7 | C24 | 169.1° | 177.4° |
| C5 | C4 | C3 | H1 | 120.8° | 120.0° |
| C5 | C4 | C3 | H2 | 120.8° | 120.0° |
| C5 | C4 | C3 | C2 | 167.4° | 180.0° |
| C4 | C5 | C7 | C8 | 47.5° | 61.5° |
| C5 | C4 | H1 | H2 | 117.5° | 120.1° |
| C4 | C5 | C6 | H4 | 58.5° | 59.9° |
| C4 | C5 | C6 | H5 | 61.5° | 180.0° |
| C4 | C5 | C6 | H6 | 178.5° | 60.0° |
| C4 | C5 | C7 | H7 | 68.8° | 60.5° |
| C5 | C4 | C3 | H38 | 72.1° | 60.1° |
| C5 | C4 | C3 | H39 | 47.0° | 60.0° |
| C24 | C7 | C8 | H7 | 111.7° | 119.1° |
| C7 | C24 | C10 | C11 | 177.3° | 166.7° |
| C7 | C24 | C10 | C9 | 50.1° | 44.4° |
| C24 | C7 | C8 | C9 | 25.2° | 3.5° |
| C24 | C7 | C5 | H3 | 51.7° | 57.3° |
| C24 | C7 | C8 | H8 | 144.7° | 122.7° |
| C24 | C7 | C8 | H9 | 94.3° | 115.7° |
| C7 | C24 | C10 | H10 | 60.8° | 72.8° |
| C7 | C24 | C23 | H33 | 42.4° | 60.2° |
| C7 | C24 | C23 | H34 | 76.9° | 60.9° |
| C7 | C24 | C25 | H35 | 48.5° | 61.5° |
| C7 | C24 | C25 | H36 | 71.6° | 178.6° |
| C7 | C24 | C25 | H37 | 168.4° | 58.5° |
| C10 | C24 | C7 | C8 | 45.1° | 29.3° |
| C24 | C10 | C11 | C9 | 125.2° | 113.0° |
| C24 | C10 | C11 | H10 | 116.3° | 120.7° |
| C24 | C10 | C11 | C12 | 178.1° | 177.0° |
| C24 | C10 | C9 | H10 | 110.7° | 117.3° |
| C24 | C10 | C9 | C8 | 35.1° | 41.6° |
| C10 | C24 | C7 | H7 | 66.7° | 89.8° |
| C24 | C10 | C11 | H26 | 62.4° | 55.0° |
| C10 | C24 | C23 | H33 | 66.4° | 55.0° |
| C10 | C24 | C23 | H34 | 174.4° | 176.1° |
| C10 | C24 | C25 | H35 | 59.4° | 174.3° |
| C10 | C24 | C25 | H36 | 179.5° | 65.8° |
| C10 | C24 | C25 | H37 | 60.5° | 54.3° |
| C24 | C10 | C9 | H40 | 83.9° | 159.9° |
| C24 | C10 | C9 | H41 | 154.1° | 76.7° |
| C4 | C3 | C2 | H38 | 120.5° | 119.9° |
| C4 | C3 | C2 | H39 | 120.5° | 120.1° |
| C4 | C3 | C2 | C1 | 118.6° | 180.0° |
| C4 | C3 | C2 | O1 | 59.7° | 0.1° |
| C3 | C4 | H1 | H2 | 117.6° | 120.0° |
| C3 | C4 | C5 | H3 | 73.0° | 55.0° |
| C4 | C3 | H38 | H39 | 118.6° | 120.1° |
| C3 | C2 | C1 | O1 | 178.3° | 180.0° |
| C2 | C3 | C4 | H1 | 46.6° | 60.0° |
| C2 | C3 | C4 | H2 | 71.8° | 60.0° |
| C3 | C2 | C1 | H23 | 143.0° | 60.1° |
| C3 | C2 | C1 | H24 | 24.6° | 59.9° |
| C2 | C3 | H38 | H39 | 118.5° | 120.0° |
| C3 | C2 | C1 | F1 | 96.2° | 180.0° |
| C7 | C8 | C9 | C10 | 5.7° | 23.9° |
| C7 | C8 | C9 | H8 | 119.5° | 119.2° |
| C7 | C8 | C9 | H9 | 119.5° | 119.2° |
| C8 | C7 | C5 | H3 | 69.9° | 58.5° |
| C7 | C8 | H8 | H9 | 121.4° | 121.5° |
| C7 | C8 | C9 | H40 | 113.3° | 142.3° |
| C7 | C8 | C9 | H41 | 124.7° | 94.4° |
| C15 | C14 | C13 | H29 | 117.1° | 120.0° |
| C15 | C14 | C13 | C12 | 66.0° | 60.2° |
| C15 | C14 | C13 | H11 | 173.9° | 59.9° |
| C15 | C14 | C13 | H12 | 54.2° | 179.9° |
| C14 | C15 | H13 | H14 | 118.7° | 120.0° |
| C14 | C15 | C16 | H30 | 64.8° | 60.0° |
| C14 | C13 | C12 | C11 | 57.3° | 60.0° |
| C14 | C13 | C12 | H11 | 120.1° | 120.1° |
| C14 | C13 | C12 | H12 | 120.1° | 119.9° |
| C14 | C13 | H11 | H12 | 119.6° | 119.9° |
| C13 | C14 | C15 | H13 | 57.8° | 60.0° |
| C13 | C14 | C15 | H14 | 61.3° | 60.0° |
| C14 | C13 | C12 | H27 | 63.0° | 180.0° |
| C14 | C13 | C12 | H28 | 177.6° | 60.0° |
| C10 | C11 | C12 | H26 | 119.6° | 120.6° |
| C11 | C10 | C9 | H10 | 118.5° | 126.3° |
| C11 | C10 | C9 | C8 | 165.9° | 158.0° |
| C10 | C11 | C12 | C13 | 175.8° | 179.0° |
| C10 | C11 | C21 | H20 | 61.9° | 61.6° |
| C10 | C11 | C12 | H27 | 55.5° | 61.0° |
| C10 | C11 | C12 | H28 | 63.9° | 59.0° |
| C11 | C10 | C9 | H40 | 46.9° | 83.6° |
| C11 | C10 | C9 | H41 | 75.1° | 39.7° |
| C12 | C11 | C10 | C9 | 56.7° | 64.0° |
| C11 | C12 | C13 | H27 | 120.3° | 120.0° |
| C11 | C12 | C13 | H28 | 120.3° | 120.0° |
| C12 | C11 | C10 | H10 | 61.7° | 62.3° |
| C11 | C12 | C13 | H11 | 62.8° | 180.0° |
| C11 | C12 | C13 | H12 | 177.4° | 59.9° |
| C12 | C11 | C21 | H20 | 60.8° | 59.9° |
| C11 | C12 | H27 | H28 | 119.0° | 120.0° |
| C2 | C1 | H23 | H24 | 117.5° | 120.1° |
| C2 | C1 | H23 | F1 | 125.0° | 120.0° |
| C2 | C1 | H24 | F1 | 125.0° | 120.1° |
| C1 | C2 | C3 | H38 | 120.9° | 60.0° |
| C1 | C2 | C3 | H39 | 1.9° | 59.9° |
| O1 | C2 | C1 | H23 | 38.7° | 120.0° |
| O1 | C2 | C1 | H24 | 157.1° | 120.0° |
| O1 | C2 | C3 | H38 | 60.7° | 120.0° |
| O1 | C2 | C3 | H39 | 179.8° | 120.0° |
| O1 | C2 | C1 | F1 | 82.1° | 0.0° |
| C10 | C9 | C8 | H40 | 119.0° | 118.4° |
| C10 | C9 | C8 | H41 | 119.0° | 118.3° |
| C10 | C9 | C8 | H8 | 113.9° | 95.3° |
| C10 | C9 | C8 | H9 | 125.2° | 143.1° |
| C9 | C10 | C11 | H26 | 62.8° | 58.0° |
| C10 | C9 | H40 | H41 | 122.9° | 123.3° |
| C9 | C8 | C7 | H7 | 86.5° | 115.6° |
| C9 | C8 | H8 | H9 | 121.4° | 121.6° |
| C8 | C9 | C10 | H10 | 75.7° | 75.7° |
| C8 | C9 | H40 | H41 | 122.8° | 123.2° |
| C12 | C13 | H11 | H12 | 119.6° | 120.0° |
| C13 | C12 | C11 | H26 | 64.6° | 60.4° |
| C13 | C12 | H27 | H28 | 119.0° | 120.0° |
| C12 | C13 | C14 | H29 | 176.9° | 179.8° |
| H1 | C4 | C5 | H3 | 47.7° | 65.0° |
| H1 | C4 | C3 | H38 | 167.1° | 179.9° |
| H1 | C4 | C3 | H39 | 73.8° | 60.0° |
| H2 | C4 | C5 | H3 | 166.2° | 175.0° |
| H2 | C4 | C3 | H38 | 48.6° | 60.0° |
| H2 | C4 | C3 | H39 | 167.7° | 180.0° |
| H3 | C5 | C6 | H4 | 59.8° | 180.0° |
| H3 | C5 | C6 | H5 | 179.8° | 59.9° |
| H3 | C5 | C6 | H6 | 60.2° | 60.0° |
| H3 | C5 | C7 | H7 | 173.9° | 179.5° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 33.0° | 3.6° |
| H7 | C7 | C8 | H9 | 154.0° | 125.1° |
| H8 | C8 | C9 | H40 | 127.1° | 23.1° |
| H8 | C8 | C9 | H41 | 5.2° | 146.4° |
| H9 | C8 | C9 | H40 | 6.2° | 98.5° |
| H9 | C8 | C9 | H41 | 115.8° | 24.8° |
| H10 | C10 | C11 | H26 | 178.7° | 175.7° |
| H10 | C10 | C9 | H40 | 165.4° | 42.6° |
| H10 | C10 | C9 | H41 | 43.3° | 166.0° |
| H11 | C13 | C12 | H27 | 176.9° | 59.9° |
| H11 | C13 | C12 | H28 | 57.5° | 60.1° |
| H11 | C13 | C14 | H29 | 56.8° | 60.1° |
| H12 | C13 | C12 | H27 | 57.1° | 60.1° |
| H12 | C13 | C12 | H28 | 62.3° | 179.9° |
| H12 | C13 | C14 | H29 | 63.0° | 59.9° |
| H13 | C15 | C14 | H29 | 59.4° | 180.0° |
| H13 | C15 | C16 | H30 | 55.6° | 179.9° |
| H14 | C15 | C14 | H29 | 178.6° | 60.1° |
| H14 | C15 | C16 | H30 | 174.7° | 60.0° |
| H15 | C17 | C16 | H30 | 54.9° | 180.0° |
| H15 | C17 | C18 | H31 | 62.1° | 60.4° |
| H15 | C17 | C18 | H32 | 56.7° | 179.6° |
| H16 | C17 | C16 | H30 | 174.4° | 60.0° |
| H16 | C17 | C18 | H31 | 57.5° | 60.3° |
| H16 | C17 | C18 | H32 | 176.2° | 59.8° |
| H17 | C20 | H18 | H19 | 120.0° | 120.1° |
| H20 | C21 | C22 | H21 | 179.9° | 55.5° |
| H20 | C21 | C22 | H22 | 60.9° | 174.5° |
| H20 | C21 | C11 | H26 | 179.9° | 178.9° |
| H21 | C22 | C23 | H33 | 175.9° | 58.4° |
| H21 | C22 | C23 | H34 | 56.7° | 62.6° |
| H22 | C22 | C23 | H33 | 56.7° | 177.4° |
| H22 | C22 | C23 | H34 | 62.5° | 56.4° |
| H23 | C1 | H24 | F1 | 117.5° | 119.9° |
| H26 | C11 | C12 | H27 | 175.1° | 59.6° |
| H26 | C11 | C12 | H28 | 55.7° | 179.6° |
| H35 | C25 | H36 | H37 | 120.0° | 120.0° |
