8QF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S1 | doub | 1.42Å | 1.44Å | |
| O7 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O6 | sing | 1.52Å | 1.62Å | |
| S1 | O4 | sing | 1.52Å | 1.55Å | |
| O4 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| O10 | S2 | doub | 1.42Å | 1.63Å | |
| C17 | C15 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O8 | sing | 1.43Å | 1.43Å | |
| C20 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C10 | sing | 1.53Å | 1.55Å | |
| O8 | S2 | sing | 1.52Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| S2 | O11 | doub | 1.42Å | 1.44Å | |
| S2 | O9 | sing | 1.52Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O3 | S | doub | 1.42Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C13 | O | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C8 | C6 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C5 | sing | 1.51Å | 1.57Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C6 | C2 | sing | 1.55Å | 1.55Å | |
| S | O | sing | 1.52Å | 1.52Å | |
| S | O2 | doub | 1.42Å | 1.63Å | |
| S | O1 | sing | 1.52Å | 1.43Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C21 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.55Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| O1 | H48 | sing | 0.97Å | 0.95Å | |
| O9 | H49 | sing | 0.97Å | 0.95Å | |
| O6 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S1 | O7 | 108.7° | 123.1° |
| O5 | S1 | O6 | 109.4° | 106.4° |
| O5 | S1 | O4 | 109.2° | 106.4° |
| O7 | S1 | O6 | 110.8° | 106.4° |
| O7 | S1 | O4 | 109.4° | 106.4° |
| O6 | S1 | O4 | 109.2° | 107.2° |
| S1 | O6 | H50 | 109.5° | 114.0° |
| S1 | O4 | C18 | 120.8° | 114.0° |
| O4 | C18 | C17 | 110.2° | 109.4° |
| O4 | C18 | C19 | 111.8° | 109.4° |
| O4 | C18 | H24 | 107.6° | 109.5° |
| C17 | C18 | C19 | 114.1° | 109.5° |
| C18 | C17 | C15 | 117.4° | 109.5° |
| C17 | C18 | H24 | 106.3° | 109.4° |
| C18 | C17 | H25 | 107.5° | 109.5° |
| C18 | C17 | H26 | 107.4° | 109.5° |
| C18 | C19 | C20 | 112.3° | 109.1° |
| C18 | C19 | O8 | 106.4° | 109.6° |
| C18 | C19 | H17 | 108.6° | 109.7° |
| C19 | C18 | H24 | 106.4° | 109.5° |
| C16 | C15 | C17 | 108.5° | 109.5° |
| C16 | C15 | C14 | 112.4° | 109.5° |
| C16 | C15 | C10 | 112.7° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.4° |
| C15 | C16 | H29 | 109.5° | 109.4° |
| O10 | S2 | O8 | 110.2° | 106.4° |
| O10 | S2 | O11 | 109.8° | 123.2° |
| O10 | S2 | O9 | 107.9° | 106.4° |
| C17 | C15 | C14 | 108.7° | 109.5° |
| C17 | C15 | C10 | 108.5° | 109.5° |
| C15 | C17 | H25 | 107.5° | 109.5° |
| C15 | C17 | H26 | 107.5° | 109.4° |
| C20 | C19 | O8 | 110.5° | 109.4° |
| C19 | C20 | C14 | 110.7° | 109.5° |
| C20 | C19 | H17 | 108.7° | 109.5° |
| C19 | C20 | H18 | 109.2° | 109.5° |
| C19 | C20 | H19 | 109.1° | 109.5° |
| C19 | O8 | S2 | 123.9° | 114.0° |
| O8 | C19 | H17 | 110.2° | 109.5° |
| C20 | C14 | C15 | 115.0° | 109.7° |
| C20 | C14 | C13 | 114.2° | 109.5° |
| C14 | C20 | H18 | 109.2° | 109.4° |
| C14 | C20 | H19 | 109.2° | 109.5° |
| C20 | C14 | H20 | 104.2° | 109.5° |
| C14 | C15 | C10 | 105.8° | 109.4° |
| C15 | C14 | C13 | 113.4° | 109.0° |
| C15 | C14 | H20 | 104.2° | 109.7° |
| C15 | C10 | C9 | 113.5° | 109.3° |
| C15 | C10 | C11 | 111.1° | 109.8° |
| C15 | C10 | H15 | 105.6° | 110.2° |
| O8 | S2 | O11 | 110.9° | 106.4° |
| O8 | S2 | O9 | 108.8° | 107.2° |
| C10 | C9 | C8 | 110.6° | 108.6° |
| C9 | C10 | C11 | 114.3° | 108.1° |
| C10 | C9 | H13 | 109.2° | 109.6° |
| C10 | C9 | H14 | 109.2° | 109.6° |
| C9 | C10 | H15 | 105.9° | 109.7° |
| C9 | C8 | C6 | 115.4° | 110.7° |
| C9 | C8 | H11 | 107.9° | 109.2° |
| C9 | C8 | H12 | 108.0° | 109.1° |
| C8 | C9 | H13 | 109.2° | 109.6° |
| C8 | C9 | H14 | 109.2° | 109.6° |
| O11 | S2 | O9 | 109.2° | 106.4° |
| S2 | O9 | H49 | 109.5° | 114.0° |
| C14 | C13 | O | 106.7° | 109.5° |
| C14 | C13 | C12 | 112.1° | 109.4° |
| C13 | C14 | H20 | 104.3° | 109.4° |
| C14 | C13 | H21 | 108.4° | 109.5° |
| O3 | S | O | 108.9° | 106.4° |
| O3 | S | O2 | 111.8° | 123.1° |
| O3 | S | O1 | 109.0° | 106.4° |
| C10 | C11 | C12 | 110.2° | 109.5° |
| C10 | C11 | C5 | 119.0° | 112.5° |
| C11 | C10 | H15 | 105.6° | 109.8° |
| C10 | C11 | H16 | 102.3° | 108.6° |
| C7 | C6 | C8 | 111.5° | 112.4° |
| C7 | C6 | C5 | 106.4° | 111.7° |
| C7 | C6 | C2 | 114.6° | 111.8° |
| C6 | C7 | H8 | 109.5° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| O | C13 | C12 | 111.4° | 109.5° |
| C13 | O | S | 120.1° | 114.0° |
| O | C13 | H21 | 109.9° | 109.5° |
| C13 | C12 | C11 | 110.2° | 109.6° |
| C12 | C13 | H21 | 108.3° | 109.5° |
| C13 | C12 | H22 | 109.3° | 109.4° |
| C13 | C12 | H23 | 109.3° | 109.5° |
| C8 | C6 | C5 | 112.1° | 110.7° |
| C8 | C6 | C2 | 105.7° | 106.7° |
| C6 | C8 | H11 | 108.0° | 109.2° |
| C6 | C8 | H12 | 107.9° | 109.2° |
| C12 | C11 | C5 | 117.5° | 109.7° |
| C12 | C11 | H16 | 102.4° | 108.6° |
| C11 | C12 | H22 | 109.3° | 109.5° |
| C11 | C12 | H23 | 109.3° | 109.5° |
| C11 | C5 | C6 | 117.7° | 113.1° |
| C11 | C5 | C4 | 120.6° | 112.6° |
| C11 | C5 | H7 | 102.8° | 109.2° |
| C5 | C11 | H16 | 102.2° | 107.8° |
| C5 | C6 | C2 | 106.6° | 103.0° |
| C6 | C5 | C4 | 106.8° | 103.5° |
| C6 | C5 | H7 | 103.1° | 109.1° |
| C6 | C2 | C1 | 118.7° | 110.1° |
| C6 | C2 | C3 | 105.6° | 106.3° |
| C6 | C2 | H2 | 104.8° | 110.1° |
| O | S | O2 | 108.8° | 106.4° |
| O | S | O1 | 110.5° | 107.2° |
| O2 | S | O1 | 107.9° | 106.4° |
| S | O1 | H48 | 109.5° | 114.0° |
| C5 | C4 | C3 | 105.3° | 103.4° |
| C5 | C4 | H5 | 110.5° | 110.6° |
| C5 | C4 | H6 | 110.5° | 110.7° |
| C4 | C5 | H7 | 103.2° | 109.1° |
| C | C1 | C2 | 113.0° | 109.5° |
| C | C1 | C21 | 106.9° | 109.5° |
| C | C1 | H1 | 107.7° | 109.5° |
| C1 | C | H30 | 109.5° | 109.5° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C2 | C1 | C21 | 113.7° | 109.4° |
| C1 | C2 | C3 | 116.5° | 110.1° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | H2 | 104.8° | 110.0° |
| C1 | C21 | C22 | 111.6° | 109.5° |
| C21 | C1 | H1 | 107.9° | 109.5° |
| C1 | C21 | H33 | 108.9° | 109.5° |
| C1 | C21 | H34 | 108.9° | 109.5° |
| C2 | C3 | C4 | 105.0° | 106.6° |
| C3 | C2 | H2 | 105.0° | 110.1° |
| C2 | C3 | H3 | 110.6° | 110.0° |
| C2 | C3 | H4 | 110.6° | 110.1° |
| C4 | C3 | H3 | 110.6° | 110.0° |
| C4 | C3 | H4 | 110.5° | 110.1° |
| C3 | C4 | H5 | 110.5° | 110.6° |
| C3 | C4 | H6 | 110.5° | 110.6° |
| C21 | C22 | C23 | 109.9° | 109.5° |
| C22 | C21 | H33 | 108.9° | 109.4° |
| C22 | C21 | H34 | 108.9° | 109.4° |
| C21 | C22 | H35 | 109.4° | 109.5° |
| C21 | C22 | H36 | 109.3° | 109.5° |
| C22 | C23 | C24 | 116.2° | 109.5° |
| C23 | C22 | H35 | 109.4° | 109.5° |
| C23 | C22 | H36 | 109.4° | 109.5° |
| C22 | C23 | H37 | 107.8° | 109.5° |
| C22 | C23 | H38 | 107.8° | 109.4° |
| C26 | C24 | C25 | 111.2° | 109.5° |
| C26 | C24 | C23 | 113.8° | 109.5° |
| C26 | C24 | C27 | 105.8° | 109.5° |
| C24 | C26 | H42 | 109.5° | 109.4° |
| C24 | C26 | H43 | 109.5° | 109.5° |
| C24 | C26 | H44 | 109.4° | 109.5° |
| C25 | C24 | C23 | 108.3° | 109.5° |
| C25 | C24 | C27 | 109.2° | 109.4° |
| C24 | C25 | H45 | 109.5° | 109.5° |
| C24 | C25 | H46 | 109.5° | 109.5° |
| C24 | C25 | H47 | 109.5° | 109.4° |
| C23 | C24 | C27 | 108.4° | 109.5° |
| C24 | C23 | H37 | 107.8° | 109.4° |
| C24 | C23 | H38 | 107.8° | 109.4° |
| C24 | C27 | H39 | 109.5° | 109.5° |
| C24 | C27 | H40 | 109.5° | 109.5° |
| C24 | C27 | H41 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 110.0° |
| H5 | C4 | H6 | 109.5° | 110.6° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H8 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.3° |
| H13 | C9 | H14 | 109.5° | 109.7° |
| H18 | C20 | H19 | 109.4° | 109.4° |
| H22 | C12 | H23 | 109.4° | 109.4° |
| H25 | C17 | H26 | 109.5° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H29 | 109.4° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H30 | C | H31 | 109.5° | 109.4° |
| H30 | C | H32 | 109.4° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.4° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| H39 | C27 | H41 | 109.4° | 109.4° |
| H40 | C27 | H41 | 109.5° | 109.4° |
| H42 | C26 | H43 | 109.5° | 109.4° |
| H42 | C26 | H44 | 109.5° | 109.5° |
| H43 | C26 | H44 | 109.5° | 109.5° |
| H45 | C25 | H46 | 109.5° | 109.4° |
| H45 | C25 | H47 | 109.4° | 109.4° |
| H46 | C25 | H47 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S1 | O7 | O6 | 120.3° | 122.9° |
| O5 | S1 | O7 | O4 | 119.2° | 123.0° |
| O5 | S1 | O6 | O4 | 119.5° | 113.6° |
| O5 | S1 | O4 | C18 | 178.3° | 38.6° |
| O5 | S1 | O6 | H50 | 0.0° | 66.5° |
| O7 | S1 | O6 | O4 | 120.6° | 113.5° |
| O7 | S1 | O4 | C18 | 62.7° | 171.5° |
| O7 | S1 | O6 | H50 | 119.9° | 66.4° |
| O6 | S1 | O4 | C18 | 58.7° | 75.0° |
| S1 | O4 | C18 | C17 | 143.6° | 145.0° |
| S1 | O4 | C18 | C19 | 88.4° | 95.0° |
| S1 | O4 | C18 | H24 | 28.1° | 25.0° |
| O4 | S1 | O6 | H50 | 119.5° | 179.9° |
| O4 | C18 | C17 | C19 | 126.7° | 120.0° |
| O4 | C18 | C17 | H24 | 116.3° | 120.0° |
| O4 | C18 | C19 | H24 | 117.3° | 120.0° |
| O4 | C18 | C17 | C15 | 82.8° | 60.0° |
| O4 | C18 | C19 | C20 | 78.9° | 60.0° |
| O4 | C18 | C19 | O8 | 160.0° | 179.8° |
| O4 | C18 | C19 | H17 | 41.4° | 60.0° |
| O4 | C18 | C17 | H25 | 156.1° | 180.0° |
| O4 | C18 | C17 | H26 | 38.3° | 60.0° |
| C17 | C18 | C19 | H24 | 116.9° | 120.0° |
| C18 | C17 | C15 | C16 | 78.2° | 60.1° |
| C18 | C17 | C15 | H25 | 121.1° | 120.0° |
| C18 | C17 | C15 | H26 | 121.1° | 120.1° |
| C17 | C18 | C19 | C20 | 47.0° | 60.0° |
| C17 | C18 | C19 | O8 | 74.1° | 59.9° |
| C18 | C17 | C15 | C14 | 44.3° | 59.9° |
| C18 | C17 | C15 | C10 | 159.0° | 179.9° |
| C17 | C18 | C19 | H17 | 167.2° | 179.9° |
| C18 | C17 | H25 | H26 | 116.4° | 120.1° |
| C19 | C18 | C17 | C15 | 43.9° | 60.0° |
| C18 | C19 | C20 | O8 | 118.7° | 120.0° |
| C18 | C19 | C20 | H17 | 120.3° | 120.1° |
| C18 | C19 | O8 | H17 | 117.6° | 120.4° |
| C18 | C19 | C20 | C14 | 53.2° | 60.0° |
| C18 | C19 | O8 | S2 | 124.2° | 95.4° |
| C18 | C19 | C20 | H18 | 67.0° | 60.0° |
| C18 | C19 | C20 | H19 | 173.4° | 180.0° |
| C19 | C18 | C17 | H25 | 77.2° | 60.0° |
| C19 | C18 | C17 | H26 | 165.1° | 180.0° |
| C16 | C15 | C17 | C14 | 122.6° | 120.0° |
| C16 | C15 | C17 | C10 | 122.8° | 120.0° |
| C16 | C15 | C14 | C20 | 68.8° | 60.0° |
| C16 | C15 | C14 | C10 | 123.4° | 120.0° |
| C16 | C15 | C10 | C9 | 68.2° | 58.7° |
| C16 | C15 | C14 | C13 | 65.1° | 59.9° |
| C16 | C15 | C10 | C11 | 62.2° | 59.7° |
| C16 | C15 | C10 | H15 | 176.3° | 179.3° |
| C16 | C15 | C14 | H20 | 177.8° | 179.7° |
| C16 | C15 | C17 | H25 | 160.6° | 179.9° |
| C16 | C15 | C17 | H26 | 42.9° | 60.0° |
| C15 | C16 | H27 | H28 | 120.0° | 120.0° |
| C15 | C16 | H27 | H29 | 120.0° | 120.0° |
| C15 | C16 | H28 | H29 | 120.0° | 119.9° |
| O10 | S2 | O8 | C19 | 53.0° | 38.5° |
| O10 | S2 | O8 | O11 | 121.8° | 132.9° |
| O10 | S2 | O8 | O9 | 118.2° | 113.6° |
| O10 | S2 | O11 | O9 | 118.1° | 123.0° |
| O10 | S2 | O9 | H49 | 119.3° | 66.4° |
| C17 | C15 | C14 | C20 | 51.4° | 60.1° |
| C17 | C15 | C14 | C10 | 116.4° | 120.0° |
| C17 | C15 | C10 | C9 | 52.1° | 61.3° |
| C17 | C15 | C14 | C13 | 174.6° | 179.9° |
| C17 | C15 | C10 | C11 | 177.5° | 179.7° |
| C17 | C15 | C10 | H15 | 63.5° | 59.3° |
| C17 | C15 | C14 | H20 | 62.0° | 60.2° |
| C15 | C17 | C18 | H24 | 160.9° | 180.0° |
| C15 | C17 | H25 | H26 | 116.4° | 119.9° |
| C17 | C15 | C16 | H27 | 180.0° | 70.6° |
| C17 | C15 | C16 | H28 | 60.0° | 169.4° |
| C17 | C15 | C16 | H29 | 60.0° | 49.5° |
| C20 | C19 | O8 | H17 | 120.2° | 120.0° |
| C19 | C20 | C14 | H18 | 120.2° | 120.0° |
| C19 | C20 | C14 | H19 | 120.2° | 120.1° |
| C19 | C20 | C14 | C15 | 57.7° | 60.3° |
| C20 | C19 | O8 | S2 | 113.5° | 145.0° |
| C19 | C20 | C14 | C13 | 168.8° | 179.9° |
| C19 | C20 | H18 | H19 | 119.4° | 120.0° |
| C19 | C20 | C14 | H20 | 55.7° | 60.1° |
| C20 | C19 | C18 | H24 | 163.8° | 180.0° |
| O8 | C19 | C20 | C14 | 65.5° | 60.0° |
| C19 | O8 | S2 | O11 | 68.7° | 171.5° |
| C19 | O8 | S2 | O9 | 171.2° | 75.0° |
| O8 | C19 | C20 | H18 | 174.3° | 180.0° |
| O8 | C19 | C20 | H19 | 54.7° | 60.1° |
| O8 | C19 | C18 | H24 | 42.7° | 60.1° |
| C20 | C14 | C15 | C13 | 133.9° | 119.9° |
| C20 | C14 | C15 | H20 | 113.4° | 120.3° |
| C20 | C14 | C15 | C10 | 167.8° | 179.9° |
| C20 | C14 | C13 | H20 | 113.0° | 120.0° |
| C20 | C14 | C13 | O | 47.8° | 59.9° |
| C20 | C14 | C13 | C12 | 170.0° | 179.9° |
| C14 | C20 | C19 | H17 | 173.5° | 179.9° |
| C14 | C20 | H18 | H19 | 119.5° | 119.9° |
| C20 | C14 | C13 | H21 | 70.6° | 60.1° |
| C14 | C15 | C10 | C9 | 168.6° | 178.7° |
| C15 | C14 | C13 | H20 | 112.7° | 120.0° |
| C14 | C15 | C10 | C11 | 61.0° | 60.3° |
| C15 | C14 | C13 | O | 177.9° | 179.8° |
| C15 | C14 | C13 | C12 | 55.7° | 60.1° |
| C14 | C15 | C10 | H15 | 53.1° | 60.7° |
| C15 | C14 | C20 | H18 | 62.5° | 59.7° |
| C15 | C14 | C20 | H19 | 177.9° | 179.6° |
| C15 | C14 | C13 | H21 | 63.7° | 59.8° |
| C14 | C15 | C17 | H25 | 76.8° | 60.0° |
| C14 | C15 | C17 | H26 | 165.5° | 180.0° |
| C14 | C15 | C16 | H27 | 59.7° | 49.5° |
| C14 | C15 | C16 | H28 | 179.7° | 70.6° |
| C14 | C15 | C16 | H29 | 60.3° | 169.5° |
| C15 | C10 | C9 | C11 | 128.8° | 119.4° |
| C15 | C10 | C9 | H15 | 115.4° | 120.9° |
| C15 | C10 | C9 | C8 | 175.9° | 177.2° |
| C10 | C15 | C14 | C13 | 58.2° | 60.1° |
| C15 | C10 | C11 | H15 | 114.1° | 121.3° |
| C15 | C10 | C11 | C12 | 61.8° | 59.9° |
| C15 | C10 | C11 | C5 | 158.0° | 177.8° |
| C15 | C10 | C9 | H13 | 64.0° | 63.1° |
| C15 | C10 | C9 | H14 | 55.7° | 57.4° |
| C15 | C10 | C11 | H16 | 46.5° | 58.6° |
| C10 | C15 | C14 | H20 | 54.5° | 59.8° |
| C10 | C15 | C17 | H25 | 37.8° | 59.9° |
| C10 | C15 | C17 | H26 | 79.9° | 60.0° |
| C10 | C15 | C16 | H27 | 59.8° | 169.4° |
| C10 | C15 | C16 | H28 | 60.3° | 49.4° |
| C10 | C15 | C16 | H29 | 179.7° | 70.5° |
| O8 | S2 | O11 | O9 | 119.9° | 114.0° |
| S2 | O8 | C19 | H17 | 6.6° | 25.0° |
| O8 | S2 | O9 | H49 | 121.2° | 180.0° |
| C10 | C9 | C8 | H13 | 120.1° | 119.8° |
| C10 | C9 | C8 | H14 | 120.2° | 119.8° |
| C9 | C10 | C11 | H15 | 115.9° | 119.6° |
| C10 | C9 | C8 | C6 | 61.1° | 62.4° |
| C9 | C10 | C11 | C12 | 168.2° | 179.0° |
| C9 | C10 | C11 | C5 | 28.0° | 58.7° |
| C10 | C9 | C8 | H11 | 59.8° | 177.3° |
| C10 | C9 | C8 | H12 | 178.0° | 57.9° |
| C10 | C9 | H13 | H14 | 119.5° | 120.5° |
| C9 | C10 | C11 | H16 | 83.6° | 60.5° |
| C8 | C9 | C10 | C11 | 47.1° | 63.4° |
| C9 | C8 | C6 | C7 | 67.9° | 71.6° |
| C9 | C8 | C6 | H11 | 120.9° | 120.3° |
| C9 | C8 | C6 | H12 | 120.9° | 120.2° |
| C9 | C8 | C6 | C5 | 51.2° | 54.1° |
| C9 | C8 | C6 | C2 | 167.0° | 165.5° |
| C9 | C8 | H11 | H12 | 117.3° | 119.3° |
| C8 | C9 | H13 | H14 | 119.5° | 120.4° |
| C8 | C9 | C10 | H15 | 68.7° | 56.3° |
| O11 | S2 | O9 | H49 | 0.0° | 66.5° |
| C14 | C13 | O | C12 | 122.7° | 120.0° |
| C14 | C13 | O | H21 | 117.3° | 120.0° |
| C14 | C13 | C12 | H21 | 119.5° | 119.9° |
| C14 | C13 | C12 | C11 | 52.1° | 59.9° |
| C14 | C13 | O | S | 132.4° | 145.0° |
| C13 | C14 | C20 | H18 | 71.0° | 59.9° |
| C13 | C14 | C20 | H19 | 48.6° | 60.1° |
| C14 | C13 | C12 | H22 | 172.3° | 60.1° |
| C14 | C13 | C12 | H23 | 68.0° | 180.0° |
| O3 | S | O | C13 | 48.4° | 171.4° |
| O3 | S | O | O2 | 122.1° | 133.0° |
| O3 | S | O | O1 | 119.7° | 113.5° |
| O3 | S | O2 | O1 | 119.8° | 122.9° |
| O3 | S | O1 | H48 | 0.0° | 66.5° |
| C10 | C11 | C12 | C13 | 55.0° | 59.7° |
| C10 | C11 | C12 | C5 | 140.8° | 124.0° |
| C10 | C11 | C12 | H16 | 108.2° | 118.5° |
| C10 | C11 | C5 | H16 | 111.6° | 119.7° |
| C10 | C11 | C5 | C6 | 19.1° | 52.0° |
| C10 | C11 | C5 | C4 | 114.5° | 64.9° |
| C10 | C11 | C5 | H7 | 131.6° | 173.8° |
| C11 | C10 | C9 | H13 | 167.3° | 56.4° |
| C11 | C10 | C9 | H14 | 73.1° | 176.9° |
| C10 | C11 | C12 | H22 | 175.2° | 60.3° |
| C10 | C11 | C12 | H23 | 65.1° | 179.8° |
| C7 | C6 | C8 | C5 | 119.2° | 125.7° |
| C7 | C6 | C8 | C2 | 125.1° | 122.9° |
| C7 | C6 | C5 | C11 | 93.1° | 77.5° |
| C7 | C6 | C5 | C2 | 122.8° | 120.1° |
| C7 | C6 | C5 | C4 | 127.5° | 160.4° |
| C7 | C6 | C2 | C1 | 30.9° | 26.5° |
| C7 | C6 | C2 | C3 | 102.1° | 145.8° |
| C7 | C6 | C2 | H2 | 147.3° | 95.0° |
| C7 | C6 | C5 | H7 | 19.2° | 44.3° |
| C6 | C7 | H8 | H9 | 120.0° | 119.9° |
| C6 | C7 | H8 | H10 | 120.0° | 120.1° |
| C6 | C7 | H9 | H10 | 120.0° | 120.1° |
| C7 | C6 | C8 | H11 | 171.2° | 48.7° |
| C7 | C6 | C8 | H12 | 53.0° | 168.2° |
| O | C13 | C12 | H21 | 121.0° | 120.0° |
| O | C13 | C12 | C11 | 171.6° | 180.0° |
| C13 | O | S | O2 | 170.5° | 38.5° |
| C13 | O | S | O1 | 71.2° | 75.0° |
| O | C13 | C14 | H20 | 65.3° | 60.2° |
| O | C13 | C12 | H22 | 68.3° | 59.9° |
| O | C13 | C12 | H23 | 51.5° | 60.0° |
| C13 | C12 | C11 | H22 | 120.1° | 120.0° |
| C13 | C12 | C11 | H23 | 120.1° | 120.1° |
| C13 | C12 | C11 | C5 | 164.1° | 176.3° |
| C12 | C13 | O | S | 105.0° | 95.0° |
| C13 | C12 | C11 | H16 | 53.2° | 58.7° |
| C12 | C13 | C14 | H20 | 57.0° | 59.9° |
| C13 | C12 | H22 | H23 | 119.7° | 120.0° |
| C8 | C6 | C5 | C11 | 28.9° | 48.6° |
| C8 | C6 | C5 | C2 | 115.2° | 113.7° |
| C8 | C6 | C5 | C4 | 110.4° | 73.5° |
| C8 | C6 | C2 | C1 | 92.2° | 149.8° |
| C8 | C6 | C2 | C3 | 134.8° | 90.9° |
| C8 | C6 | C2 | H2 | 24.2° | 28.3° |
| C8 | C6 | C5 | H7 | 141.2° | 170.4° |
| C8 | C6 | C7 | H8 | 180.0° | 180.0° |
| C8 | C6 | C7 | H9 | 60.0° | 60.1° |
| C8 | C6 | C7 | H10 | 60.0° | 59.9° |
| C6 | C8 | H11 | H12 | 117.3° | 119.4° |
| C6 | C8 | C9 | H13 | 178.7° | 57.4° |
| C6 | C8 | C9 | H14 | 59.1° | 177.8° |
| C12 | C11 | C5 | H16 | 111.0° | 118.1° |
| C12 | C11 | C5 | C6 | 156.5° | 174.3° |
| C12 | C11 | C5 | C4 | 22.9° | 57.3° |
| C12 | C11 | C5 | H7 | 91.1° | 64.0° |
| C12 | C11 | C10 | H15 | 52.2° | 61.4° |
| C11 | C12 | C13 | H21 | 67.4° | 60.0° |
| C11 | C12 | H22 | H23 | 119.7° | 119.9° |
| C11 | C5 | C6 | C4 | 139.4° | 122.2° |
| C11 | C5 | C6 | H7 | 112.3° | 121.8° |
| C11 | C5 | C6 | C2 | 144.1° | 162.4° |
| C11 | C5 | C4 | H7 | 113.8° | 121.4° |
| C11 | C5 | C4 | C3 | 161.0° | 161.8° |
| C11 | C5 | C4 | H5 | 79.6° | 43.3° |
| C11 | C5 | C4 | H6 | 41.7° | 79.6° |
| C5 | C11 | C10 | H15 | 87.9° | 60.9° |
| C5 | C11 | C12 | H22 | 44.0° | 63.7° |
| C5 | C11 | C12 | H23 | 75.8° | 56.2° |
| C6 | C5 | C4 | H7 | 108.3° | 116.1° |
| C5 | C6 | C2 | C1 | 148.4° | 93.5° |
| C5 | C6 | C2 | C3 | 15.4° | 25.7° |
| C6 | C5 | C4 | C3 | 23.1° | 39.3° |
| C5 | C6 | C2 | H2 | 95.2° | 144.9° |
| C6 | C5 | C4 | H5 | 142.4° | 79.2° |
| C6 | C5 | C4 | H6 | 96.2° | 157.9° |
| C5 | C6 | C7 | H8 | 57.5° | 54.8° |
| C5 | C6 | C7 | H9 | 177.5° | 174.7° |
| C5 | C6 | C7 | H10 | 62.5° | 65.3° |
| C5 | C6 | C8 | H11 | 69.6° | 174.4° |
| C5 | C6 | C8 | H12 | 172.1° | 66.1° |
| C6 | C5 | C11 | H16 | 92.5° | 67.7° |
| C2 | C6 | C5 | C4 | 4.7° | 40.2° |
| C6 | C2 | C1 | C | 66.3° | 176.9° |
| C6 | C2 | C1 | C3 | 128.1° | 116.9° |
| C6 | C2 | C1 | H2 | 116.5° | 121.6° |
| C6 | C2 | C1 | C21 | 171.6° | 63.2° |
| C6 | C2 | C3 | H2 | 110.5° | 119.3° |
| C6 | C2 | C3 | C4 | 29.7° | 1.6° |
| C6 | C2 | C1 | H1 | 52.3° | 56.8° |
| C6 | C2 | C3 | H3 | 149.0° | 117.6° |
| C6 | C2 | C3 | H4 | 89.5° | 121.0° |
| C2 | C6 | C5 | H7 | 103.6° | 75.9° |
| C2 | C6 | C7 | H8 | 60.1° | 60.1° |
| C2 | C6 | C7 | H9 | 59.9° | 59.9° |
| C2 | C6 | C7 | H10 | 179.9° | 179.9° |
| C2 | C6 | C8 | H11 | 46.1° | 74.2° |
| C2 | C6 | C8 | H12 | 72.1° | 45.3° |
| O | S | O2 | O1 | 119.9° | 114.1° |
| S | O | C13 | H21 | 15.1° | 25.0° |
| O | S | O1 | H48 | 119.6° | 180.0° |
| O2 | S | O1 | H48 | 121.6° | 66.4° |
| C5 | C4 | C3 | C2 | 32.7° | 23.0° |
| C5 | C4 | C3 | H5 | 119.3° | 118.5° |
| C5 | C4 | C3 | H6 | 119.4° | 118.6° |
| C5 | C4 | C3 | H3 | 152.0° | 142.3° |
| C5 | C4 | C3 | H4 | 86.5° | 96.3° |
| C5 | C4 | H5 | H6 | 122.0° | 123.1° |
| C4 | C5 | C11 | H16 | 133.9° | 175.4° |
| C | C1 | C2 | C21 | 122.1° | 120.0° |
| C | C1 | C2 | H1 | 118.7° | 120.1° |
| C | C1 | C21 | H1 | 115.6° | 120.0° |
| C | C1 | C2 | C3 | 165.6° | 66.2° |
| C | C1 | C21 | C22 | 101.8° | 63.5° |
| C | C1 | C2 | H2 | 50.1° | 55.3° |
| C1 | C | H30 | H31 | 120.0° | 120.0° |
| C1 | C | H30 | H32 | 120.0° | 120.0° |
| C1 | C | H31 | H32 | 120.0° | 120.0° |
| C | C1 | C21 | H33 | 137.8° | 176.6° |
| C | C1 | C21 | H34 | 18.5° | 56.5° |
| C2 | C1 | C21 | H1 | 119.0° | 120.0° |
| C1 | C2 | C3 | H2 | 115.3° | 121.5° |
| C1 | C2 | C3 | C4 | 163.9° | 117.6° |
| C2 | C1 | C21 | C22 | 132.8° | 176.6° |
| C1 | C2 | C3 | H3 | 76.8° | 123.1° |
| C1 | C2 | C3 | H4 | 44.6° | 1.8° |
| C2 | C1 | C | H30 | 180.0° | 64.3° |
| C2 | C1 | C | H31 | 60.0° | 175.8° |
| C2 | C1 | C | H32 | 60.0° | 55.8° |
| C2 | C1 | C21 | H33 | 12.4° | 56.6° |
| C2 | C1 | C21 | H34 | 106.9° | 63.5° |
| C21 | C1 | C2 | C3 | 43.5° | 53.7° |
| C1 | C21 | C22 | H33 | 120.3° | 120.0° |
| C1 | C21 | C22 | H34 | 120.3° | 120.0° |
| C1 | C21 | C22 | C23 | 176.8° | 180.0° |
| C21 | C1 | C2 | H2 | 71.9° | 175.2° |
| C21 | C1 | C | H30 | 54.2° | 175.8° |
| C21 | C1 | C | H31 | 65.8° | 55.8° |
| C21 | C1 | C | H32 | 174.2° | 64.2° |
| C1 | C21 | H33 | H34 | 119.0° | 120.0° |
| C1 | C21 | C22 | H35 | 63.1° | 60.0° |
| C1 | C21 | C22 | H36 | 56.7° | 59.9° |
| C2 | C3 | C4 | H3 | 119.3° | 119.3° |
| C2 | C3 | C4 | H4 | 119.3° | 119.3° |
| C3 | C2 | C1 | H1 | 75.7° | 173.7° |
| C2 | C3 | H3 | H4 | 122.1° | 121.4° |
| C2 | C3 | C4 | H5 | 152.1° | 95.4° |
| C2 | C3 | C4 | H6 | 86.6° | 141.7° |
| C4 | C3 | C2 | H2 | 80.8° | 120.9° |
| C4 | C3 | H3 | H4 | 122.0° | 121.4° |
| C3 | C4 | H5 | H6 | 121.9° | 122.9° |
| C3 | C4 | C5 | H7 | 85.2° | 76.8° |
| C21 | C22 | C23 | H35 | 120.1° | 120.0° |
| C21 | C22 | C23 | H36 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 137.6° | 180.0° |
| C22 | C21 | C1 | H1 | 13.8° | 56.6° |
| C22 | C21 | H33 | H34 | 119.0° | 120.0° |
| C21 | C22 | H35 | H36 | 119.8° | 120.0° |
| C21 | C22 | C23 | H37 | 101.4° | 60.0° |
| C21 | C22 | C23 | H38 | 16.7° | 60.0° |
| C22 | C23 | C24 | C26 | 45.7° | NaN° |
| C22 | C23 | C24 | C25 | 78.6° | 60.0° |
| C22 | C23 | C24 | H37 | 121.0° | 120.0° |
| C22 | C23 | C24 | H38 | 120.9° | 120.0° |
| C22 | C23 | C24 | C27 | 163.1° | 60.0° |
| C23 | C22 | C21 | H33 | 56.4° | 60.0° |
| C23 | C22 | C21 | H34 | 62.9° | 60.0° |
| C23 | C22 | H35 | H36 | 119.8° | 120.0° |
| C22 | C23 | H37 | H38 | 116.9° | 120.0° |
| C26 | C24 | C25 | C23 | 125.8° | 120.0° |
| C26 | C24 | C25 | C27 | 116.4° | 120.0° |
| C26 | C24 | C23 | C27 | 117.4° | 120.0° |
| C26 | C24 | C23 | H37 | 166.7° | 60.0° |
| C26 | C24 | C23 | H38 | 75.2° | 60.0° |
| C26 | C24 | C27 | H39 | 180.0° | 60.0° |
| C26 | C24 | C27 | H40 | 60.0° | 60.0° |
| C26 | C24 | C27 | H41 | 60.0° | 180.0° |
| C24 | C26 | H42 | H43 | 120.0° | 120.0° |
| C24 | C26 | H42 | H44 | 120.0° | 120.0° |
| C24 | C26 | H43 | H44 | 120.0° | 120.1° |
| C26 | C24 | C25 | H45 | 180.0° | 180.0° |
| C26 | C24 | C25 | H46 | 60.0° | 60.0° |
| C26 | C24 | C25 | H47 | 60.0° | 60.1° |
| C25 | C24 | C23 | C27 | 118.3° | 120.0° |
| C25 | C24 | C23 | H37 | 42.4° | 180.0° |
| C25 | C24 | C23 | H38 | 160.5° | 60.0° |
| C25 | C24 | C27 | H39 | 60.2° | 180.0° |
| C25 | C24 | C27 | H40 | 179.8° | 60.0° |
| C25 | C24 | C27 | H41 | 59.8° | 60.0° |
| C25 | C24 | C26 | H42 | 180.0° | 60.0° |
| C25 | C24 | C26 | H43 | 60.0° | 59.9° |
| C25 | C24 | C26 | H44 | 60.0° | 180.0° |
| C24 | C25 | H45 | H46 | 120.0° | 120.1° |
| C24 | C25 | H45 | H47 | 120.0° | 119.9° |
| C24 | C25 | H46 | H47 | 120.0° | 120.0° |
| C24 | C23 | C22 | H35 | 17.5° | 60.0° |
| C24 | C23 | C22 | H36 | 102.3° | 60.0° |
| C24 | C23 | H37 | H38 | 117.0° | 120.0° |
| C23 | C24 | C27 | H39 | 57.6° | 60.0° |
| C23 | C24 | C27 | H40 | 62.4° | 180.0° |
| C23 | C24 | C27 | H41 | 177.5° | 60.0° |
| C23 | C24 | C26 | H42 | 57.3° | 60.0° |
| C23 | C24 | C26 | H43 | 62.7° | 180.0° |
| C23 | C24 | C26 | H44 | 177.4° | 60.0° |
| C23 | C24 | C25 | H45 | 54.2° | 60.0° |
| C23 | C24 | C25 | H46 | 174.2° | 180.0° |
| C23 | C24 | C25 | H47 | 65.8° | 60.0° |
| C27 | C24 | C23 | H37 | 75.9° | 60.0° |
| C27 | C24 | C23 | H38 | 42.2° | 180.0° |
| C24 | C27 | H39 | H40 | 120.0° | 120.1° |
| C24 | C27 | H39 | H41 | 120.0° | 120.0° |
| C24 | C27 | H40 | H41 | 120.0° | 120.0° |
| C27 | C24 | C26 | H42 | 61.6° | 180.0° |
| C27 | C24 | C26 | H43 | 178.4° | 60.0° |
| C27 | C24 | C26 | H44 | 58.5° | 60.1° |
| C27 | C24 | C25 | H45 | 63.6° | 60.0° |
| C27 | C24 | C25 | H46 | 56.4° | 60.0° |
| C27 | C24 | C25 | H47 | 176.4° | 180.0° |
| H1 | C1 | C2 | H2 | 168.8° | 64.8° |
| H1 | C1 | C | H30 | 61.5° | 55.7° |
| H1 | C1 | C | H31 | 178.5° | 64.2° |
| H1 | C1 | C | H32 | 58.5° | 175.8° |
| H1 | C1 | C21 | H33 | 106.6° | 63.4° |
| H1 | C1 | C21 | H34 | 134.1° | 176.6° |
| H2 | C2 | C3 | H3 | 38.5° | 1.6° |
| H2 | C2 | C3 | H4 | 160.0° | 119.7° |
| H3 | C3 | C4 | H5 | 88.7° | 23.8° |
| H3 | C3 | C4 | H6 | 32.7° | 99.0° |
| H4 | C3 | C4 | H5 | 32.8° | 145.2° |
| H4 | C3 | C4 | H6 | 154.1° | 22.3° |
| H5 | C4 | C5 | H7 | 34.1° | 164.7° |
| H6 | C4 | C5 | H7 | 155.5° | 41.7° |
| H7 | C5 | C11 | H16 | 20.0° | 54.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| H11 | C8 | C9 | H13 | 60.4° | 62.9° |
| H11 | C8 | C9 | H14 | 180.0° | 57.5° |
| H12 | C8 | C9 | H13 | 57.9° | 177.6° |
| H12 | C8 | C9 | H14 | 61.8° | 61.9° |
| H13 | C9 | C10 | H15 | 51.5° | 176.0° |
| H14 | C9 | C10 | H15 | 171.1° | 63.5° |
| H15 | C10 | C11 | H16 | 160.5° | 179.9° |
| H16 | C11 | C12 | H22 | 66.9° | 178.7° |
| H16 | C11 | C12 | H23 | 173.3° | 61.3° |
| H17 | C19 | C20 | H18 | 53.3° | 60.1° |
| H17 | C19 | C20 | H19 | 66.3° | 59.9° |
| H17 | C19 | C18 | H24 | 75.9° | 60.1° |
| H18 | C20 | C14 | H20 | 175.9° | 179.9° |
| H19 | C20 | C14 | H20 | 64.5° | 59.9° |
| H20 | C14 | C13 | H21 | 176.4° | 179.8° |
| H21 | C13 | C12 | H22 | 52.7° | 179.9° |
| H21 | C13 | C12 | H23 | 172.5° | 60.1° |
| H24 | C18 | C17 | H25 | 39.7° | 60.0° |
| H24 | C18 | C17 | H26 | 78.0° | 60.0° |
| H27 | C16 | H28 | H29 | 119.9° | 120.1° |
| H30 | C | H31 | H32 | 120.0° | 120.0° |
| H33 | C21 | C22 | H35 | 176.5° | 180.0° |
| H33 | C21 | C22 | H36 | 63.6° | 60.0° |
| H34 | C21 | C22 | H35 | 57.2° | 60.0° |
| H34 | C21 | C22 | H36 | 177.1° | 180.0° |
| H35 | C22 | C23 | H37 | 138.5° | 180.0° |
| H35 | C22 | C23 | H38 | 103.4° | 60.0° |
| H36 | C22 | C23 | H37 | 18.7° | 60.0° |
| H36 | C22 | C23 | H38 | 136.7° | 179.9° |
| H39 | C27 | H40 | H41 | 120.0° | 119.9° |
| H42 | C26 | H43 | H44 | 120.0° | 120.0° |
| H45 | C25 | H46 | H47 | 119.9° | 119.9° |
