Y8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | O8 | doub | 1.21Å | 1.20Å | |
| C17 | O7 | sing | 1.34Å | 1.34Å | |
| O3 | P1 | doub | 1.48Å | 1.52Å | |
| O7 | C16 | sing | 1.45Å | 1.44Å | |
| C16 | C1 | sing | 1.53Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.52Å | |
| P1 | O1 | sing | 1.61Å | 1.62Å | |
| P1 | O4 | sing | 1.61Å | 1.52Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.45Å | 1.46Å | |
| O5 | C3 | sing | 1.34Å | 1.34Å | |
| O6 | C3 | doub | 1.21Å | 1.20Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H51 | sing | 1.09Å | 1.10Å | |
| C8 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | H53 | sing | 1.09Å | 1.10Å | |
| C9 | H54 | sing | 1.09Å | 1.10Å | |
| C9 | H55 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 112.8° | 109.5° |
| C28 | C27 | H45 | 108.6° | 109.5° |
| C28 | C27 | H46 | 108.6° | 109.5° |
| C27 | C28 | H47 | 109.5° | 109.5° |
| C27 | C28 | H48 | 109.5° | 109.5° |
| C27 | C28 | H49 | 109.4° | 109.4° |
| C27 | C26 | C25 | 113.2° | 109.5° |
| C27 | C26 | H43 | 108.5° | 109.5° |
| C27 | C26 | H44 | 108.5° | 109.5° |
| C26 | C27 | H45 | 108.7° | 109.5° |
| C26 | C27 | H46 | 108.6° | 109.4° |
| C26 | C25 | C24 | 114.8° | 109.4° |
| C26 | C25 | H41 | 108.1° | 109.4° |
| C26 | C25 | H42 | 108.2° | 109.4° |
| C25 | C26 | H43 | 108.5° | 109.5° |
| C25 | C26 | H44 | 108.5° | 109.4° |
| C25 | C24 | C23 | 114.0° | 109.4° |
| C25 | C24 | H39 | 108.3° | 109.5° |
| C25 | C24 | H40 | 108.3° | 109.5° |
| C24 | C25 | H41 | 108.1° | 109.5° |
| C24 | C25 | H42 | 108.1° | 109.5° |
| C24 | C23 | C22 | 113.9° | 109.5° |
| C24 | C23 | H37 | 108.4° | 109.5° |
| C24 | C23 | H38 | 108.4° | 109.4° |
| C23 | C24 | H39 | 108.3° | 109.4° |
| C23 | C24 | H40 | 108.3° | 109.4° |
| C23 | C22 | C21 | 115.8° | 109.5° |
| C23 | C22 | H35 | 107.9° | 109.5° |
| C23 | C22 | H36 | 107.9° | 109.4° |
| C22 | C23 | H37 | 108.4° | 109.5° |
| C22 | C23 | H38 | 108.4° | 109.5° |
| C22 | C21 | C20 | 111.4° | 109.4° |
| C22 | C21 | H33 | 109.0° | 109.5° |
| C22 | C21 | H34 | 109.0° | 109.4° |
| C21 | C22 | H35 | 107.9° | 109.5° |
| C21 | C22 | H36 | 107.9° | 109.5° |
| C21 | C20 | C19 | 118.8° | 109.4° |
| C21 | C20 | H31 | 107.1° | 109.5° |
| C21 | C20 | H32 | 107.1° | 109.5° |
| C20 | C21 | H33 | 109.0° | 109.5° |
| C20 | C21 | H34 | 109.0° | 109.5° |
| C20 | C19 | C18 | 108.0° | 109.4° |
| C20 | C19 | H29 | 109.8° | 109.5° |
| C20 | C19 | H30 | 109.9° | 109.5° |
| C19 | C20 | H31 | 107.1° | 109.5° |
| C19 | C20 | H32 | 107.1° | 109.5° |
| C19 | C18 | C17 | 115.5° | 109.5° |
| C19 | C18 | H27 | 108.0° | 109.5° |
| C19 | C18 | H28 | 107.9° | 109.5° |
| C18 | C19 | H29 | 109.9° | 109.5° |
| C18 | C19 | H30 | 109.8° | 109.5° |
| C18 | C17 | O8 | 126.0° | 120.0° |
| C18 | C17 | O7 | 110.3° | 120.0° |
| C17 | C18 | H27 | 107.9° | 109.5° |
| C17 | C18 | H28 | 108.0° | 109.5° |
| O8 | C17 | O7 | 123.7° | 120.1° |
| C17 | O7 | C16 | 117.0° | 117.0° |
| O3 | P1 | O2 | 112.9° | 109.4° |
| O3 | P1 | O1 | 105.2° | 109.4° |
| O3 | P1 | O4 | 113.0° | 109.5° |
| O7 | C16 | C1 | 108.2° | 109.4° |
| O7 | C16 | H25 | 109.8° | 109.5° |
| O7 | C16 | H26 | 109.8° | 109.4° |
| C16 | C1 | C2 | 111.6° | 109.5° |
| C16 | C1 | O5 | 110.1° | 109.5° |
| C16 | C1 | H1 | 109.3° | 109.5° |
| C1 | C16 | H25 | 109.8° | 109.5° |
| C1 | C16 | H26 | 109.8° | 109.5° |
| O2 | P1 | O1 | 105.9° | 109.5° |
| O2 | P1 | O4 | 113.1° | 109.5° |
| P1 | O2 | H10 | 109.5° | 114.0° |
| O1 | P1 | O4 | 105.9° | 109.5° |
| P1 | O1 | C2 | 118.4° | 123.0° |
| P1 | O4 | H11 | 109.5° | 114.0° |
| O1 | C2 | C1 | 110.6° | 109.4° |
| O1 | C2 | H2 | 109.2° | 109.4° |
| O1 | C2 | H3 | 109.2° | 109.5° |
| C2 | C1 | O5 | 106.3° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C1 | C2 | H3 | 109.2° | 109.5° |
| C1 | O5 | C3 | 119.6° | 117.0° |
| O5 | C1 | H1 | 110.2° | 109.4° |
| O5 | C3 | O6 | 123.3° | 120.0° |
| O5 | C3 | C4 | 110.9° | 120.0° |
| O6 | C3 | C4 | 125.8° | 120.0° |
| C3 | C4 | C5 | 115.3° | 109.5° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| C3 | C4 | H5 | 108.0° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| C5 | C4 | H5 | 108.0° | 109.4° |
| C4 | C5 | H6 | 108.7° | 109.5° |
| C4 | C5 | H7 | 108.7° | 109.4° |
| C5 | C6 | C7 | 114.0° | 109.5° |
| C6 | C5 | H6 | 108.7° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.5° |
| C5 | C6 | H8 | 108.3° | 109.5° |
| C5 | C6 | H9 | 108.3° | 109.4° |
| C6 | C7 | C8 | 117.0° | 109.5° |
| C7 | C6 | H8 | 108.3° | 109.5° |
| C7 | C6 | H9 | 108.4° | 109.5° |
| C6 | C7 | H50 | 107.6° | 109.5° |
| C6 | C7 | H51 | 107.5° | 109.4° |
| C7 | C8 | C9 | 113.7° | 109.5° |
| C8 | C7 | H50 | 107.5° | 109.5° |
| C8 | C7 | H51 | 107.6° | 109.5° |
| C7 | C8 | H52 | 108.4° | 109.4° |
| C7 | C8 | H53 | 108.4° | 109.4° |
| C8 | C9 | C10 | 116.4° | 109.5° |
| C9 | C8 | H52 | 108.4° | 109.5° |
| C9 | C8 | H53 | 108.4° | 109.5° |
| C8 | C9 | H54 | 107.7° | 109.5° |
| C8 | C9 | H55 | 107.7° | 109.5° |
| C9 | C10 | C11 | 113.3° | 109.5° |
| C9 | C10 | H12 | 108.5° | 109.5° |
| C9 | C10 | H13 | 108.5° | 109.5° |
| C10 | C9 | H54 | 107.7° | 109.4° |
| C10 | C9 | H55 | 107.7° | 109.5° |
| C10 | C11 | C12 | 115.4° | 109.5° |
| C11 | C10 | H12 | 108.5° | 109.5° |
| C11 | C10 | H13 | 108.5° | 109.4° |
| C10 | C11 | H14 | 108.0° | 109.4° |
| C10 | C11 | H15 | 108.0° | 109.5° |
| C11 | C12 | C13 | 114.1° | 109.5° |
| C12 | C11 | H14 | 108.0° | 109.5° |
| C12 | C11 | H15 | 108.0° | 109.5° |
| C11 | C12 | H16 | 108.3° | 109.5° |
| C11 | C12 | H17 | 108.3° | 109.4° |
| C12 | C13 | C14 | 115.1° | 109.5° |
| C13 | C12 | H16 | 108.3° | 109.5° |
| C13 | C12 | H17 | 108.3° | 109.4° |
| C12 | C13 | H18 | 108.1° | 109.5° |
| C12 | C13 | H19 | 108.0° | 109.5° |
| C13 | C14 | C15 | 114.2° | 109.5° |
| C14 | C13 | H18 | 108.0° | 109.5° |
| C14 | C13 | H19 | 108.1° | 109.5° |
| C13 | C14 | H20 | 108.3° | 109.5° |
| C13 | C14 | H21 | 108.3° | 109.5° |
| C15 | C14 | H20 | 108.3° | 109.5° |
| C15 | C14 | H21 | 108.3° | 109.4° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C15 | H23 | 109.4° | 109.4° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.4° | 109.4° |
| H16 | C12 | H17 | 109.4° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.5° |
| H37 | C23 | H38 | 109.4° | 109.5° |
| H39 | C24 | H40 | 109.5° | 109.5° |
| H41 | C25 | H42 | 109.5° | 109.5° |
| H43 | C26 | H44 | 109.5° | 109.5° |
| H45 | C27 | H46 | 109.4° | 109.5° |
| H47 | C28 | H48 | 109.5° | 109.5° |
| H47 | C28 | H49 | 109.5° | 109.5° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| H50 | C7 | H51 | 109.5° | 109.5° |
| H52 | C8 | H53 | 109.5° | 109.5° |
| H54 | C9 | H55 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H45 | 120.5° | 120.1° |
| C28 | C27 | C26 | H46 | 120.5° | 119.9° |
| C28 | C27 | C26 | C25 | 51.6° | 180.0° |
| C28 | C27 | C26 | H43 | 172.1° | 60.0° |
| C28 | C27 | C26 | H44 | 69.0° | 60.1° |
| C28 | C27 | H45 | H46 | 118.5° | 120.0° |
| C27 | C28 | H47 | H48 | 120.0° | 120.0° |
| C27 | C28 | H47 | H49 | 120.0° | 119.9° |
| C27 | C28 | H48 | H49 | 120.0° | 120.0° |
| C27 | C26 | C25 | H43 | 120.6° | 120.0° |
| C27 | C26 | C25 | H44 | 120.6° | 120.0° |
| C27 | C26 | C25 | C24 | 176.6° | 180.0° |
| C27 | C26 | C25 | H41 | 62.6° | 59.9° |
| C27 | C26 | C25 | H42 | 55.8° | 60.1° |
| C27 | C26 | H43 | H44 | 118.3° | 120.0° |
| C26 | C27 | H45 | H46 | 118.5° | 120.0° |
| C26 | C27 | C28 | H47 | 180.0° | 180.0° |
| C26 | C27 | C28 | H48 | 60.0° | 60.0° |
| C26 | C27 | C28 | H49 | 60.0° | 60.1° |
| C26 | C25 | C24 | H41 | 120.8° | 120.0° |
| C26 | C25 | C24 | H42 | 120.8° | 119.9° |
| C26 | C25 | C24 | C23 | 50.5° | 180.0° |
| C26 | C25 | C24 | H39 | 171.2° | 60.0° |
| C26 | C25 | C24 | H40 | 70.1° | 60.0° |
| C26 | C25 | H41 | H42 | 117.6° | 119.9° |
| C25 | C26 | H43 | H44 | 118.3° | 120.0° |
| C25 | C26 | C27 | H45 | 68.9° | 60.0° |
| C25 | C26 | C27 | H46 | 172.1° | 60.0° |
| C25 | C24 | C23 | H39 | 120.7° | 120.0° |
| C25 | C24 | C23 | H40 | 120.7° | 120.0° |
| C25 | C24 | C23 | C22 | 170.8° | 180.0° |
| C25 | C24 | C23 | H37 | 68.5° | 60.0° |
| C25 | C24 | C23 | H38 | 50.1° | 60.0° |
| C25 | C24 | H39 | H40 | 117.9° | 120.1° |
| C24 | C25 | H41 | H42 | 117.6° | 120.1° |
| C24 | C25 | C26 | H43 | 56.0° | 60.0° |
| C24 | C25 | C26 | H44 | 62.8° | 60.0° |
| C24 | C23 | C22 | H37 | 120.7° | 120.0° |
| C24 | C23 | C22 | H38 | 120.7° | 120.0° |
| C24 | C23 | C22 | C21 | 55.7° | 180.0° |
| C24 | C23 | C22 | H35 | 176.7° | 59.9° |
| C24 | C23 | C22 | H36 | 65.2° | 60.0° |
| C24 | C23 | H37 | H38 | 118.0° | 120.0° |
| C23 | C24 | H39 | H40 | 118.0° | 119.9° |
| C23 | C24 | C25 | H41 | 70.2° | 60.0° |
| C23 | C24 | C25 | H42 | 171.3° | 60.1° |
| C23 | C22 | C21 | H35 | 120.9° | 120.1° |
| C23 | C22 | C21 | H36 | 120.9° | 119.9° |
| C23 | C22 | C21 | C20 | 176.7° | 180.0° |
| C23 | C22 | C21 | H33 | 56.5° | 60.0° |
| C23 | C22 | C21 | H34 | 63.0° | 60.1° |
| C23 | C22 | H35 | H36 | 117.2° | 119.9° |
| C22 | C23 | H37 | H38 | 118.0° | 120.0° |
| C22 | C23 | C24 | H39 | 50.1° | 59.9° |
| C22 | C23 | C24 | H40 | 68.6° | 60.0° |
| C22 | C21 | C20 | H33 | 120.3° | 120.0° |
| C22 | C21 | C20 | H34 | 120.3° | 119.9° |
| C22 | C21 | C20 | C19 | 170.3° | 180.0° |
| C22 | C21 | C20 | H31 | 68.3° | 60.0° |
| C22 | C21 | C20 | H32 | 49.0° | 60.0° |
| C22 | C21 | H33 | H34 | 119.2° | 120.0° |
| C21 | C22 | H35 | H36 | 117.1° | 120.0° |
| C21 | C22 | C23 | H37 | 64.9° | 60.0° |
| C21 | C22 | C23 | H38 | 176.4° | 60.1° |
| C21 | C20 | C19 | H31 | 121.3° | 120.0° |
| C21 | C20 | C19 | H32 | 121.3° | 120.0° |
| C21 | C20 | C19 | C18 | 177.2° | 180.0° |
| C21 | C20 | C19 | H29 | 57.4° | 60.0° |
| C21 | C20 | C19 | H30 | 63.1° | 60.0° |
| C21 | C20 | H31 | H32 | 115.8° | 120.0° |
| C20 | C21 | H33 | H34 | 119.1° | 120.0° |
| C20 | C21 | C22 | H35 | 62.4° | 60.0° |
| C20 | C21 | C22 | H36 | 55.8° | 60.0° |
| C20 | C19 | C18 | H29 | 119.8° | 120.0° |
| C20 | C19 | C18 | H30 | 119.8° | 120.0° |
| C20 | C19 | C18 | C17 | 167.5° | 180.0° |
| C20 | C19 | C18 | H27 | 71.6° | 60.0° |
| C20 | C19 | C18 | H28 | 46.6° | 60.0° |
| C20 | C19 | H29 | H30 | 120.7° | 120.1° |
| C19 | C20 | H31 | H32 | 115.8° | 120.0° |
| C19 | C20 | C21 | H33 | 50.1° | 60.0° |
| C19 | C20 | C21 | H34 | 69.4° | 60.0° |
| C19 | C18 | C17 | H27 | 120.9° | 120.0° |
| C19 | C18 | C17 | H28 | 120.9° | 120.0° |
| C19 | C18 | C17 | O8 | 63.1° | 0.1° |
| C19 | C18 | C17 | O7 | 116.5° | 180.0° |
| C19 | C18 | H27 | H28 | 117.2° | 120.0° |
| C18 | C19 | H29 | H30 | 120.7° | 120.0° |
| C18 | C19 | C20 | H31 | 61.5° | 60.0° |
| C18 | C19 | C20 | H32 | 55.9° | 60.0° |
| C18 | C17 | O8 | O7 | 179.6° | 180.0° |
| C18 | C17 | O7 | C16 | 171.3° | 179.9° |
| C17 | C18 | H27 | H28 | 117.3° | 120.0° |
| C17 | C18 | C19 | H29 | 47.8° | 60.0° |
| C17 | C18 | C19 | H30 | 72.7° | 60.0° |
| O8 | C17 | O7 | C16 | 9.1° | 0.0° |
| O8 | C17 | C18 | H27 | 57.8° | 120.0° |
| O8 | C17 | C18 | H28 | 176.0° | 120.0° |
| C17 | O7 | C16 | C1 | 78.1° | 180.0° |
| C17 | O7 | C16 | H25 | 162.1° | 60.0° |
| C17 | O7 | C16 | H26 | 41.7° | 60.0° |
| O7 | C17 | C18 | H27 | 122.6° | 60.0° |
| O7 | C17 | C18 | H28 | 4.3° | 60.0° |
| O3 | P1 | O2 | O1 | 114.6° | 119.9° |
| O3 | P1 | O2 | O4 | 129.9° | 120.0° |
| O3 | P1 | O1 | O4 | 119.9° | 120.0° |
| O3 | P1 | O1 | C2 | 61.2° | 55.1° |
| O3 | P1 | O2 | H10 | 0.0° | 60.1° |
| O3 | P1 | O4 | H11 | 0.0° | 179.9° |
| O7 | C16 | C1 | H25 | 119.8° | 120.0° |
| O7 | C16 | C1 | H26 | 119.8° | 119.9° |
| O7 | C16 | C1 | C2 | 32.9° | 55.1° |
| O7 | C16 | C1 | O5 | 150.6° | 65.0° |
| O7 | C16 | C1 | H1 | 88.2° | 175.0° |
| O7 | C16 | H25 | H26 | 120.6° | 120.0° |
| C16 | C1 | C2 | O1 | 169.6° | 55.1° |
| C16 | C1 | C2 | O5 | 120.0° | 120.0° |
| C16 | C1 | C2 | H1 | 121.1° | 120.0° |
| C16 | C1 | O5 | H1 | 120.6° | 120.0° |
| C16 | C1 | O5 | C3 | 74.5° | 150.0° |
| C16 | C1 | C2 | H2 | 70.2° | 175.0° |
| C16 | C1 | C2 | H3 | 49.5° | 65.0° |
| C1 | C16 | H25 | H26 | 120.6° | 120.0° |
| O2 | P1 | O1 | O4 | 120.4° | 120.1° |
| O2 | P1 | O1 | C2 | 58.6° | 175.0° |
| O2 | P1 | O4 | H11 | 129.8° | 60.1° |
| P1 | O1 | C2 | C1 | 167.2° | 180.0° |
| P1 | O1 | C2 | H2 | 72.7° | 60.1° |
| P1 | O1 | C2 | H3 | 47.0° | 59.9° |
| O1 | P1 | O2 | H10 | 114.6° | 180.0° |
| O1 | P1 | O4 | H11 | 114.6° | 60.0° |
| O4 | P1 | O1 | C2 | 178.9° | 64.9° |
| O4 | P1 | O2 | H10 | 129.9° | 60.0° |
| O1 | C2 | C1 | H2 | 120.2° | 119.9° |
| O1 | C2 | C1 | H3 | 120.2° | 120.0° |
| O1 | C2 | C1 | O5 | 70.4° | 65.0° |
| O1 | C2 | C1 | H1 | 48.5° | 175.1° |
| O1 | C2 | H2 | H3 | 119.5° | 120.0° |
| C2 | C1 | O5 | H1 | 118.4° | 120.0° |
| C2 | C1 | O5 | C3 | 164.6° | 90.0° |
| C1 | C2 | H2 | H3 | 119.5° | 120.1° |
| C2 | C1 | C16 | H25 | 86.9° | 65.0° |
| C2 | C1 | C16 | H26 | 152.7° | 175.0° |
| C1 | O5 | C3 | O6 | 3.2° | 0.0° |
| C1 | O5 | C3 | C4 | 176.9° | 180.0° |
| O5 | C1 | C2 | H2 | 49.8° | 54.9° |
| O5 | C1 | C2 | H3 | 169.4° | 175.0° |
| O5 | C1 | C16 | H25 | 30.8° | 175.0° |
| O5 | C1 | C16 | H26 | 89.6° | 54.9° |
| O5 | C3 | O6 | C4 | 179.8° | 180.0° |
| O5 | C3 | C4 | C5 | 116.0° | 180.0° |
| C3 | O5 | C1 | H1 | 46.2° | 30.0° |
| O5 | C3 | C4 | H4 | 4.8° | 60.0° |
| O5 | C3 | C4 | H5 | 123.1° | 60.0° |
| O6 | C3 | C4 | C5 | 63.8° | 0.0° |
| O6 | C3 | C4 | H4 | 175.4° | 120.0° |
| O6 | C3 | C4 | H5 | 57.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.9° | 120.0° |
| C3 | C4 | C5 | H5 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 68.1° | 180.0° |
| C3 | C4 | H4 | H5 | 117.4° | 120.0° |
| C3 | C4 | C5 | H6 | 52.4° | 60.0° |
| C3 | C4 | C5 | H7 | 171.5° | 60.0° |
| C4 | C5 | C6 | H6 | 120.5° | 120.0° |
| C4 | C5 | C6 | H7 | 120.5° | 120.0° |
| C4 | C5 | C6 | C7 | 138.2° | 180.0° |
| C5 | C4 | H4 | H5 | 117.3° | 120.0° |
| C4 | C5 | H6 | H7 | 118.6° | 120.0° |
| C4 | C5 | C6 | H8 | 17.6° | 60.0° |
| C4 | C5 | C6 | H9 | 101.1° | 60.0° |
| C5 | C6 | C7 | H8 | 120.7° | 120.0° |
| C5 | C6 | C7 | H9 | 120.7° | 120.0° |
| C5 | C6 | C7 | C8 | 63.1° | NaN° |
| C6 | C5 | C4 | H4 | 171.1° | 60.0° |
| C6 | C5 | C4 | H5 | 52.8° | 60.0° |
| C6 | C5 | H6 | H7 | 118.6° | 120.0° |
| C5 | C6 | H8 | H9 | 117.9° | 120.0° |
| C5 | C6 | C7 | H50 | 58.0° | 60.0° |
| C5 | C6 | C7 | H51 | 175.8° | 60.0° |
| C6 | C7 | C8 | H50 | 121.1° | 120.0° |
| C6 | C7 | C8 | H51 | 121.1° | 120.0° |
| C6 | C7 | C8 | C9 | 177.6° | 180.0° |
| C7 | C6 | C5 | H6 | 101.3° | 60.0° |
| C7 | C6 | C5 | H7 | 17.8° | 60.0° |
| C7 | C6 | H8 | H9 | 118.0° | 120.0° |
| C6 | C7 | H50 | H51 | 116.6° | 120.0° |
| C6 | C7 | C8 | H52 | 56.9° | 60.0° |
| C6 | C7 | C8 | H53 | 61.8° | 60.0° |
| C7 | C8 | C9 | H52 | 120.6° | 120.0° |
| C7 | C8 | C9 | H53 | 120.6° | 120.0° |
| C7 | C8 | C9 | C10 | 72.0° | 180.0° |
| C8 | C7 | C6 | H8 | 176.2° | 60.0° |
| C8 | C7 | C6 | H9 | 57.6° | 60.0° |
| C8 | C7 | H50 | H51 | 116.6° | 120.0° |
| C7 | C8 | H52 | H53 | 118.1° | 119.9° |
| C7 | C8 | C9 | H54 | 49.0° | 60.0° |
| C7 | C8 | C9 | H55 | 167.0° | 60.0° |
| C8 | C9 | C10 | H54 | 121.0° | 120.0° |
| C8 | C9 | C10 | H55 | 121.0° | 120.0° |
| C8 | C9 | C10 | C11 | 175.8° | 180.0° |
| C8 | C9 | C10 | H12 | 63.6° | 60.0° |
| C8 | C9 | C10 | H13 | 55.3° | 60.0° |
| C9 | C8 | C7 | H50 | 61.3° | 60.0° |
| C9 | C8 | C7 | H51 | 56.5° | 60.0° |
| C9 | C8 | H52 | H53 | 118.1° | 120.1° |
| C8 | C9 | H54 | H55 | 116.8° | 120.0° |
| C9 | C10 | C11 | H12 | 120.6° | 120.0° |
| C9 | C10 | C11 | H13 | 120.6° | 120.0° |
| C9 | C10 | C11 | C12 | 173.8° | 180.0° |
| C9 | C10 | H12 | H13 | 118.2° | 120.0° |
| C9 | C10 | C11 | H14 | 53.0° | 60.0° |
| C9 | C10 | C11 | H15 | 65.3° | 59.9° |
| C10 | C9 | C8 | H52 | 167.4° | 60.0° |
| C10 | C9 | C8 | H53 | 48.6° | 60.0° |
| C10 | C9 | H54 | H55 | 116.9° | 120.0° |
| C10 | C11 | C12 | H14 | 120.9° | 120.0° |
| C10 | C11 | C12 | H15 | 120.9° | 120.1° |
| C10 | C11 | C12 | C13 | 174.6° | 180.0° |
| C11 | C10 | H12 | H13 | 118.2° | 120.0° |
| C10 | C11 | H14 | H15 | 117.3° | 120.0° |
| C10 | C11 | C12 | H16 | 64.7° | 60.0° |
| C10 | C11 | C12 | H17 | 53.9° | 60.0° |
| C11 | C10 | C9 | H54 | 54.8° | 59.9° |
| C11 | C10 | C9 | H55 | 63.2° | 60.0° |
| C11 | C12 | C13 | H16 | 120.7° | 120.1° |
| C11 | C12 | C13 | H17 | 120.7° | 119.9° |
| C11 | C12 | C13 | C14 | 178.4° | 180.0° |
| C12 | C11 | C10 | H12 | 65.6° | 60.0° |
| C12 | C11 | C10 | H13 | 53.2° | 60.0° |
| C12 | C11 | H14 | H15 | 117.3° | 120.0° |
| C11 | C12 | H16 | H17 | 117.9° | 120.0° |
| C11 | C12 | C13 | H18 | 57.6° | 60.0° |
| C11 | C12 | C13 | H19 | 60.8° | 60.0° |
| C12 | C13 | C14 | H18 | 120.8° | 120.0° |
| C12 | C13 | C14 | H19 | 120.8° | 120.0° |
| C12 | C13 | C14 | C15 | 177.6° | 180.0° |
| C13 | C12 | C11 | H14 | 53.7° | 60.0° |
| C13 | C12 | C11 | H15 | 64.5° | 60.0° |
| C13 | C12 | H16 | H17 | 117.9° | 120.0° |
| C12 | C13 | H18 | H19 | 117.4° | 120.0° |
| C12 | C13 | C14 | H20 | 61.7° | 60.0° |
| C12 | C13 | C14 | H21 | 56.9° | 60.0° |
| C13 | C14 | C15 | H20 | 120.7° | 120.0° |
| C13 | C14 | C15 | H21 | 120.7° | 120.0° |
| C14 | C13 | C12 | H16 | 60.9° | 59.9° |
| C14 | C13 | C12 | H17 | 57.7° | 60.0° |
| C14 | C13 | H18 | H19 | 117.5° | 120.0° |
| C13 | C14 | H20 | H21 | 117.8° | 120.0° |
| C13 | C14 | C15 | H22 | 180.0° | 60.0° |
| C13 | C14 | C15 | H23 | 60.0° | 60.0° |
| C13 | C14 | C15 | H24 | 60.0° | 180.0° |
| C15 | C14 | C13 | H18 | 56.8° | 60.0° |
| C15 | C14 | C13 | H19 | 61.6° | 60.0° |
| C15 | C14 | H20 | H21 | 117.8° | 120.0° |
| C14 | C15 | H22 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 168.7° | 65.0° |
| H1 | C1 | C2 | H3 | 71.7° | 55.0° |
| H1 | C1 | C16 | H25 | 151.9° | 55.0° |
| H1 | C1 | C16 | H26 | 31.6° | 65.0° |
| H4 | C4 | C5 | H6 | 68.5° | 180.0° |
| H4 | C4 | C5 | H7 | 50.6° | 60.0° |
| H5 | C4 | C5 | H6 | 173.2° | 60.0° |
| H5 | C4 | C5 | H7 | 67.7° | 180.0° |
| H6 | C5 | C6 | H8 | 138.0° | 180.0° |
| H6 | C5 | C6 | H9 | 19.4° | 60.0° |
| H7 | C5 | C6 | H8 | 102.9° | 60.0° |
| H7 | C5 | C6 | H9 | 138.5° | 180.0° |
| H8 | C6 | C7 | H50 | 62.7° | 180.0° |
| H8 | C6 | C7 | H51 | 55.2° | 60.0° |
| H9 | C6 | C7 | H50 | 178.6° | 60.0° |
| H9 | C6 | C7 | H51 | 63.5° | 180.0° |
| H12 | C10 | C11 | H14 | 173.5° | 60.1° |
| H12 | C10 | C11 | H15 | 55.3° | 180.0° |
| H12 | C10 | C9 | H54 | 175.4° | 180.0° |
| H12 | C10 | C9 | H55 | 57.4° | 60.0° |
| H13 | C10 | C11 | H14 | 67.6° | 179.9° |
| H13 | C10 | C11 | H15 | 174.1° | 60.1° |
| H13 | C10 | C9 | H54 | 65.8° | 60.0° |
| H13 | C10 | C9 | H55 | 176.3° | 180.0° |
| H14 | C11 | C12 | H16 | 174.5° | 180.0° |
| H14 | C11 | C12 | H17 | 67.0° | 60.0° |
| H15 | C11 | C12 | H16 | 56.2° | 60.1° |
| H15 | C11 | C12 | H17 | 174.8° | 179.9° |
| H16 | C12 | C13 | H18 | 178.3° | 179.9° |
| H16 | C12 | C13 | H19 | 59.9° | 60.1° |
| H17 | C12 | C13 | H18 | 63.1° | 60.0° |
| H17 | C12 | C13 | H19 | 178.5° | 179.9° |
| H18 | C13 | C14 | H20 | 177.5° | 180.0° |
| H18 | C13 | C14 | H21 | 63.9° | 60.0° |
| H19 | C13 | C14 | H20 | 59.1° | 60.0° |
| H19 | C13 | C14 | H21 | 177.7° | 180.0° |
| H20 | C14 | C15 | H22 | 59.3° | 180.0° |
| H20 | C14 | C15 | H23 | 179.3° | 60.0° |
| H20 | C14 | C15 | H24 | 60.7° | 60.0° |
| H21 | C14 | C15 | H22 | 59.3° | 60.0° |
| H21 | C14 | C15 | H23 | 60.7° | 180.0° |
| H21 | C14 | C15 | H24 | 179.3° | 60.0° |
| H22 | C15 | H23 | H24 | 120.0° | 120.0° |
| H27 | C18 | C19 | H29 | 168.7° | 180.0° |
| H27 | C18 | C19 | H30 | 48.2° | 60.0° |
| H28 | C18 | C19 | H29 | 73.1° | 60.0° |
| H28 | C18 | C19 | H30 | 166.4° | 180.0° |
| H29 | C19 | C20 | H31 | 178.7° | 180.0° |
| H29 | C19 | C20 | H32 | 63.9° | 60.0° |
| H30 | C19 | C20 | H31 | 58.3° | 59.9° |
| H30 | C19 | C20 | H32 | 175.6° | 179.9° |
| H31 | C20 | C21 | H33 | 171.4° | NaN° |
| H31 | C20 | C21 | H34 | 52.0° | 59.9° |
| H32 | C20 | C21 | H33 | 71.2° | 60.0° |
| H32 | C20 | C21 | H34 | 169.3° | 179.9° |
| H33 | C21 | C22 | H35 | 177.4° | 180.0° |
| H33 | C21 | C22 | H36 | 64.5° | 59.9° |
| H34 | C21 | C22 | H35 | 57.9° | 60.0° |
| H34 | C21 | C22 | H36 | 176.1° | 180.0° |
| H35 | C22 | C23 | H37 | 56.0° | 180.0° |
| H35 | C22 | C23 | H38 | 62.6° | 60.0° |
| H36 | C22 | C23 | H37 | 174.2° | 60.0° |
| H36 | C22 | C23 | H38 | 55.5° | 180.0° |
| H37 | C23 | C24 | H39 | 170.8° | 180.0° |
| H37 | C23 | C24 | H40 | 52.1° | 60.0° |
| H38 | C23 | C24 | H39 | 70.5° | 60.0° |
| H38 | C23 | C24 | H40 | 170.8° | 180.0° |
| H39 | C24 | C25 | H41 | 50.4° | 180.0° |
| H39 | C24 | C25 | H42 | 68.0° | 59.9° |
| H40 | C24 | C25 | H41 | 169.1° | 59.9° |
| H40 | C24 | C25 | H42 | 50.7° | 180.0° |
| H41 | C25 | C26 | H43 | 176.8° | 180.0° |
| H41 | C25 | C26 | H44 | 57.9° | 60.0° |
| H42 | C25 | C26 | H43 | 64.7° | 60.0° |
| H42 | C25 | C26 | H44 | 176.4° | 180.0° |
| H43 | C26 | C27 | H45 | 51.6° | 180.0° |
| H43 | C26 | C27 | H46 | 67.4° | 60.0° |
| H44 | C26 | C27 | H45 | 170.5° | 60.0° |
| H44 | C26 | C27 | H46 | 51.5° | 180.0° |
| H45 | C27 | C28 | H47 | 59.5° | 60.0° |
| H45 | C27 | C28 | H48 | 60.5° | 180.0° |
| H45 | C27 | C28 | H49 | 179.5° | 60.0° |
| H46 | C27 | C28 | H47 | 59.5° | 60.0° |
| H46 | C27 | C28 | H48 | 179.5° | 59.9° |
| H46 | C27 | C28 | H49 | 60.5° | 180.0° |
| H47 | C28 | H48 | H49 | 120.0° | 120.0° |
| H50 | C7 | C8 | H52 | 178.0° | 180.0° |
| H50 | C7 | C8 | H53 | 59.3° | 60.0° |
| H51 | C7 | C8 | H52 | 64.1° | 60.0° |
| H51 | C7 | C8 | H53 | 177.1° | 180.0° |
| H52 | C8 | C9 | H54 | 71.6° | 60.0° |
| H52 | C8 | C9 | H55 | 46.3° | 180.0° |
| H53 | C8 | C9 | H54 | 169.7° | 180.0° |
| H53 | C8 | C9 | H55 | 72.4° | 60.0° |
