PRD_002568
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O4 | sing | 1.43Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C3 | O2 | sing | 1.43Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O3 | sing | 1.43Å | 1.47Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.47Å | |
| C5 | O4 | sing | 1.43Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.39Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C7 | O8 | sing | 1.43Å | 1.44Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.45Å | |
| C9 | O6 | sing | 1.43Å | 1.51Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | O7 | sing | 1.43Å | 1.46Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.47Å | |
| C11 | O8 | sing | 1.43Å | 1.50Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | O9 | sing | 1.43Å | 1.39Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | N1 | sing | 1.35Å | 1.47Å | |
| C13 | O10 | doub | 1.21Å | 1.19Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| O9 | H22 | sing | 0.97Å | 0.95Å | |
| O13 | C15 | sing | 1.43Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | F1 | sing | 1.40Å | 1.40Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.47Å | |
| C17 | O11 | sing | 1.43Å | 1.47Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| O11 | H26 | sing | 0.97Å | 0.95Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| O12 | C18 | sing | 1.43Å | 1.45Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| O12 | H28 | sing | 0.97Å | 0.95Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | O13 | sing | 1.43Å | 1.50Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| O14 | C20 | sing | 1.43Å | 1.41Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| O14 | H32 | sing | 0.97Å | 0.95Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | O15 | doub | 1.21Å | 1.28Å | |
| C21 | O16 | sing | 1.34Å | 1.25Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | O18 | sing | 1.43Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C24 | O17 | sing | 1.43Å | 1.46Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C25 | N2 | sing | 1.47Å | 1.52Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C26 | O18 | sing | 1.43Å | 1.52Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | O19 | sing | 1.43Å | 1.40Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | O20 | sing | 1.43Å | 1.39Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | O21 | sing | 1.43Å | 1.43Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.56Å | |
| C30 | N2 | sing | 1.35Å | 1.46Å | |
| C30 | O22 | doub | 1.21Å | 1.18Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å | |
| O16 | H46 | sing | 0.97Å | 0.95Å | |
| O17 | H47 | sing | 0.97Å | 0.95Å | |
| O19 | H48 | sing | 0.97Å | 0.95Å | |
| O20 | H49 | sing | 0.97Å | 0.95Å | |
| O21 | H50 | sing | 0.97Å | 0.95Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | O25 | sing | 1.43Å | 1.48Å | |
| O25 | C35 | sing | 1.43Å | 1.38Å | |
| C35 | O26 | sing | 1.43Å | 1.49Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| F2 | C34 | sing | 1.40Å | 1.39Å | |
| O26 | C38 | sing | 1.43Å | 1.48Å | |
| C34 | C33 | sing | 1.53Å | 1.49Å | |
| O27 | C39 | sing | 1.43Å | 1.39Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | C32 | sing | 1.53Å | 1.50Å | |
| C33 | C32 | sing | 1.53Å | 1.47Å | |
| C33 | O24 | sing | 1.43Å | 1.47Å | |
| C32 | O23 | sing | 1.43Å | 1.50Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| O24 | H62 | sing | 0.97Å | 0.95Å | |
| O27 | H63 | sing | 0.97Å | 0.95Å | |
| C37 | C40 | sing | 1.53Å | 51.97Å | |
| C40 | C41 | sing | 1.53Å | 0.00Å | |
| C41 | C42 | sing | 1.53Å | 0.00Å | |
| C42 | C43 | sing | 1.53Å | 0.00Å | |
| C43 | C44 | sing | 1.53Å | 0.00Å | |
| C44 | C45 | sing | 1.53Å | 0.00Å | |
| C40 | H64 | sing | 1.09Å | 0.00Å | |
| C40 | H65 | sing | 1.09Å | 0.00Å | |
| C41 | H66 | sing | 1.09Å | 0.00Å | |
| C41 | H67 | sing | 1.09Å | 0.00Å | |
| C42 | H68 | sing | 1.09Å | 0.00Å | |
| C42 | H69 | sing | 1.09Å | 0.00Å | |
| C43 | H70 | sing | 1.09Å | 0.00Å | |
| C43 | H71 | sing | 1.09Å | 0.00Å | |
| C44 | H72 | sing | 1.09Å | 0.00Å | |
| C44 | H73 | sing | 1.09Å | 0.00Å | |
| C45 | H74 | sing | 1.09Å | 0.00Å | |
| C45 | H75 | sing | 1.09Å | 52.17Å | |
| C45 | C46 | sing | 1.53Å | 0.00Å | |
| C46 | H76 | sing | 1.09Å | 0.00Å | |
| C46 | H77 | sing | 1.09Å | 0.00Å | |
| C46 | C47 | sing | 1.53Å | 0.00Å | |
| C47 | H78 | sing | 1.09Å | 0.00Å | |
| C47 | H79 | sing | 1.09Å | 0.00Å | |
| C47 | C48 | sing | 1.53Å | 0.00Å | |
| C48 | C49 | sing | 1.53Å | 0.00Å | |
| C48 | H80 | sing | 1.09Å | 0.00Å | |
| C48 | H81 | sing | 1.09Å | 0.00Å | |
| C49 | H82 | sing | 1.09Å | 0.00Å | |
| C49 | H83 | sing | 1.09Å | 0.00Å | |
| C49 | H84 | sing | 1.09Å | 0.00Å | |
| O3 | C7 | sing | 1.43Å | 1.42Å | |
| O2 | C22 | sing | 1.43Å | 1.52Å | |
| O6 | C15 | sing | 1.43Å | 1.39Å | |
| C1 | O23 | sing | 1.43Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O4 | 111.0° | 109.4° |
| C2 | C1 | H1 | 107.3° | 109.5° |
| C1 | C2 | C3 | 114.4° | 109.2° |
| C1 | C2 | O1 | 107.6° | 109.5° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| C2 | C1 | O23 | 110.8° | 109.5° |
| O4 | C1 | H1 | 108.3° | 109.4° |
| C1 | O4 | C5 | 113.6° | 114.1° |
| O4 | C1 | O23 | 109.9° | 109.5° |
| H1 | C1 | O23 | 109.3° | 109.5° |
| C3 | C2 | O1 | 110.5° | 109.5° |
| C3 | C2 | H2 | 107.9° | 109.5° |
| C2 | C3 | C4 | 113.3° | 109.0° |
| C2 | C3 | O2 | 106.1° | 109.6° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| O1 | C2 | H2 | 108.8° | 109.6° |
| C2 | O1 | H8 | 109.5° | 114.0° |
| C4 | C3 | O2 | 111.4° | 109.6° |
| C4 | C3 | H3 | 108.8° | 109.6° |
| C3 | C4 | C5 | 108.6° | 109.2° |
| C3 | C4 | O3 | 113.6° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| O2 | C3 | H3 | 108.7° | 109.6° |
| C3 | O2 | C22 | 113.1° | 114.0° |
| C5 | C4 | O3 | 108.2° | 109.6° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C4 | C5 | C6 | 110.3° | 109.5° |
| C4 | C5 | O4 | 111.1° | 109.4° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| O3 | C4 | H4 | 109.0° | 109.5° |
| C4 | O3 | C7 | 109.8° | 114.1° |
| C6 | C5 | O4 | 109.6° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.4° |
| C5 | C6 | O5 | 108.2° | 109.4° |
| C5 | C6 | H6 | 109.8° | 109.5° |
| C5 | C6 | H7 | 109.8° | 109.4° |
| O4 | C5 | H5 | 108.4° | 109.6° |
| O5 | C6 | H6 | 109.8° | 109.5° |
| O5 | C6 | H7 | 109.8° | 109.5° |
| C6 | O5 | H9 | 109.6° | 114.0° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| C8 | C7 | O8 | 107.8° | 109.4° |
| C8 | C7 | H10 | 107.4° | 109.5° |
| C7 | C8 | C9 | 114.3° | 109.2° |
| C7 | C8 | N1 | 105.6° | 109.5° |
| C7 | C8 | H11 | 108.1° | 109.5° |
| C8 | C7 | O3 | 108.8° | 109.5° |
| O8 | C7 | H10 | 109.2° | 109.5° |
| C7 | O8 | C11 | 110.2° | 114.1° |
| O8 | C7 | O3 | 114.0° | 109.5° |
| H10 | C7 | O3 | 109.5° | 109.5° |
| C9 | C8 | N1 | 110.1° | 109.5° |
| C9 | C8 | H11 | 109.3° | 109.6° |
| C8 | C9 | C10 | 115.0° | 109.0° |
| C8 | C9 | O6 | 107.6° | 109.5° |
| C8 | C9 | H12 | 108.9° | 109.5° |
| N1 | C8 | H11 | 109.4° | 109.6° |
| C8 | N1 | C13 | 123.2° | 120.0° |
| C8 | N1 | H20 | 118.4° | 120.0° |
| C10 | C9 | O6 | 107.5° | 109.5° |
| C10 | C9 | H12 | 109.2° | 109.5° |
| C9 | C10 | C11 | 115.8° | 109.2° |
| C9 | C10 | O7 | 109.3° | 109.6° |
| C9 | C10 | H13 | 107.7° | 109.5° |
| O6 | C9 | H12 | 108.5° | 109.7° |
| C9 | O6 | C15 | 111.7° | 114.0° |
| C11 | C10 | O7 | 109.4° | 109.5° |
| C11 | C10 | H13 | 106.6° | 109.5° |
| C10 | C11 | C12 | 107.8° | 109.5° |
| C10 | C11 | O8 | 114.1° | 109.4° |
| C10 | C11 | H14 | 107.5° | 109.5° |
| O7 | C10 | H13 | 107.7° | 109.6° |
| C10 | O7 | H21 | 109.5° | 114.1° |
| C12 | C11 | O8 | 110.6° | 109.5° |
| C12 | C11 | H14 | 108.6° | 109.5° |
| C11 | C12 | O9 | 107.5° | 109.5° |
| C11 | C12 | H15 | 110.0° | 109.5° |
| C11 | C12 | H16 | 110.0° | 109.4° |
| O8 | C11 | H14 | 108.1° | 109.5° |
| O9 | C12 | H15 | 110.0° | 109.5° |
| O9 | C12 | H16 | 109.9° | 109.5° |
| C12 | O9 | H22 | 109.4° | 114.0° |
| H15 | C12 | H16 | 109.4° | 109.4° |
| C14 | C13 | N1 | 117.6° | 120.0° |
| C14 | C13 | O10 | 120.7° | 120.0° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C13 | C14 | H18 | 109.4° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| N1 | C13 | O10 | 121.7° | 120.0° |
| C13 | N1 | H20 | 118.4° | 120.0° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H17 | C14 | H19 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| O13 | C15 | C16 | 110.6° | 109.4° |
| O13 | C15 | H23 | 109.5° | 109.5° |
| C15 | O13 | C19 | 111.0° | 114.1° |
| O13 | C15 | O6 | 109.5° | 109.5° |
| C16 | C15 | H23 | 108.6° | 109.5° |
| C15 | C16 | C17 | 114.9° | 109.2° |
| C15 | C16 | F1 | 108.4° | 109.5° |
| C15 | C16 | H24 | 107.9° | 109.6° |
| C16 | C15 | O6 | 108.1° | 109.5° |
| H23 | C15 | O6 | 110.6° | 109.5° |
| C17 | C16 | F1 | 107.7° | 109.5° |
| C17 | C16 | H24 | 108.3° | 109.5° |
| C16 | C17 | C18 | 114.6° | 109.0° |
| C16 | C17 | O11 | 107.6° | 109.6° |
| C16 | C17 | H25 | 108.6° | 109.5° |
| F1 | C16 | H24 | 109.7° | 109.5° |
| C18 | C17 | O11 | 108.1° | 109.5° |
| C18 | C17 | H25 | 108.9° | 109.6° |
| C17 | C18 | C19 | 114.4° | 109.2° |
| C17 | C18 | O12 | 109.2° | 109.5° |
| C17 | C18 | H27 | 108.0° | 109.5° |
| O11 | C17 | H25 | 108.9° | 109.6° |
| C17 | O11 | H26 | 109.5° | 114.0° |
| C19 | C18 | O12 | 109.3° | 109.6° |
| C19 | C18 | H27 | 107.5° | 109.5° |
| C18 | C19 | C20 | 110.0° | 109.5° |
| C18 | C19 | O13 | 114.1° | 109.4° |
| C18 | C19 | H29 | 108.8° | 109.5° |
| O12 | C18 | H27 | 108.3° | 109.5° |
| C18 | O12 | H28 | 109.4° | 114.0° |
| C20 | C19 | O13 | 105.8° | 109.5° |
| C20 | C19 | H29 | 109.0° | 109.5° |
| C19 | C20 | O14 | 107.6° | 109.5° |
| C19 | C20 | H30 | 110.0° | 109.5° |
| C19 | C20 | H31 | 109.9° | 109.5° |
| O13 | C19 | H29 | 109.0° | 109.5° |
| O14 | C20 | H30 | 109.9° | 109.5° |
| O14 | C20 | H31 | 110.0° | 109.5° |
| C20 | O14 | H32 | 109.6° | 114.0° |
| H30 | C20 | H31 | 109.4° | 109.4° |
| C22 | C21 | O15 | 120.1° | 120.0° |
| C22 | C21 | O16 | 119.5° | 120.0° |
| C21 | C22 | C23 | 108.0° | 109.5° |
| C21 | C22 | O18 | 108.1° | 109.4° |
| C21 | C22 | O2 | 107.3° | 109.5° |
| O15 | C21 | O16 | 120.4° | 120.0° |
| C21 | O16 | H46 | 109.5° | 117.0° |
| C23 | C22 | O18 | 113.0° | 109.4° |
| C22 | C23 | C24 | 110.5° | 109.2° |
| C22 | C23 | H33 | 109.2° | 109.5° |
| C22 | C23 | H34 | 109.2° | 109.5° |
| C23 | C22 | O2 | 111.7° | 109.5° |
| C22 | O18 | C26 | 114.3° | 114.1° |
| O18 | C22 | O2 | 108.5° | 109.5° |
| C24 | C23 | H33 | 109.2° | 109.5° |
| C24 | C23 | H34 | 109.2° | 109.5° |
| C23 | C24 | C25 | 114.4° | 109.0° |
| C23 | C24 | O17 | 109.6° | 109.6° |
| C23 | C24 | H35 | 107.3° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.6° |
| C25 | C24 | O17 | 109.5° | 109.5° |
| C25 | C24 | H35 | 107.7° | 109.5° |
| C24 | C25 | C26 | 111.6° | 109.2° |
| C24 | C25 | N2 | 105.1° | 109.5° |
| C24 | C25 | H36 | 109.8° | 109.5° |
| O17 | C24 | H35 | 108.1° | 109.6° |
| C24 | O17 | H47 | 109.5° | 114.0° |
| C26 | C25 | N2 | 111.1° | 109.5° |
| C26 | C25 | H36 | 109.8° | 109.5° |
| C25 | C26 | C27 | 111.3° | 109.5° |
| C25 | C26 | O18 | 110.4° | 109.4° |
| C25 | C26 | H37 | 109.5° | 109.5° |
| N2 | C25 | H36 | 109.3° | 109.6° |
| C25 | N2 | C30 | 121.4° | 120.0° |
| C25 | N2 | H45 | 119.3° | 120.0° |
| C27 | C26 | O18 | 107.2° | 109.5° |
| C27 | C26 | H37 | 109.4° | 109.4° |
| C26 | C27 | C28 | 108.4° | 109.4° |
| C26 | C27 | O19 | 111.3° | 109.4° |
| C26 | C27 | H38 | 109.1° | 109.5° |
| O18 | C26 | H37 | 109.0° | 109.5° |
| C28 | C27 | O19 | 109.3° | 109.5° |
| C28 | C27 | H38 | 108.4° | 109.5° |
| C27 | C28 | C29 | 110.6° | 109.4° |
| C27 | C28 | O20 | 109.6° | 109.5° |
| C27 | C28 | H39 | 108.5° | 109.5° |
| O19 | C27 | H38 | 110.3° | 109.5° |
| C27 | O19 | H48 | 109.5° | 114.0° |
| C29 | C28 | O20 | 109.1° | 109.5° |
| C29 | C28 | H39 | 108.5° | 109.5° |
| C28 | C29 | O21 | 108.2° | 109.4° |
| C28 | C29 | H40 | 109.8° | 109.5° |
| C28 | C29 | H41 | 109.8° | 109.5° |
| O20 | C28 | H39 | 110.5° | 109.5° |
| C28 | O20 | H49 | 109.5° | 114.0° |
| O21 | C29 | H40 | 109.8° | 109.5° |
| O21 | C29 | H41 | 109.8° | 109.5° |
| C29 | O21 | H50 | 109.5° | 113.9° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| C31 | C30 | N2 | 118.0° | 120.0° |
| C31 | C30 | O22 | 121.4° | 120.0° |
| C30 | C31 | H42 | 109.5° | 109.4° |
| C30 | C31 | H43 | 109.4° | 109.4° |
| C30 | C31 | H44 | 109.4° | 109.4° |
| N2 | C30 | O22 | 120.6° | 120.0° |
| C30 | N2 | H45 | 119.3° | 120.0° |
| H42 | C31 | H43 | 109.5° | 109.5° |
| H42 | C31 | H44 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
| C37 | C36 | O25 | 116.6° | 109.5° |
| C37 | C36 | H55 | 107.6° | 109.5° |
| C37 | C36 | H56 | 107.6° | 109.5° |
| C36 | C37 | H57 | 103.7° | 109.5° |
| C36 | C37 | H58 | 103.7° | 109.5° |
| C36 | C37 | C40 | 131.6° | 109.5° |
| C36 | O25 | C35 | 120.5° | 114.0° |
| O25 | C36 | H55 | 107.7° | 109.4° |
| O25 | C36 | H56 | 107.7° | 109.5° |
| O25 | C35 | O26 | 109.3° | 109.4° |
| O25 | C35 | C34 | 110.4° | 109.5° |
| O25 | C35 | H54 | 110.5° | 109.5° |
| O26 | C35 | C34 | 108.9° | 109.4° |
| C35 | O26 | C38 | 117.9° | 114.1° |
| O26 | C35 | H54 | 108.9° | 109.5° |
| C35 | C34 | F2 | 110.3° | 109.5° |
| C35 | C34 | C33 | 108.3° | 109.1° |
| C35 | C34 | H53 | 108.8° | 109.5° |
| C34 | C35 | H54 | 108.7° | 109.5° |
| F2 | C34 | C33 | 109.8° | 109.5° |
| F2 | C34 | H53 | 110.6° | 109.6° |
| O26 | C38 | C39 | 105.7° | 109.5° |
| O26 | C38 | C32 | 120.9° | 109.4° |
| O26 | C38 | H59 | 108.7° | 109.4° |
| C34 | C33 | C32 | 112.8° | 109.1° |
| C34 | C33 | O24 | 108.7° | 109.5° |
| C34 | C33 | H52 | 108.3° | 109.7° |
| C33 | C34 | H53 | 109.0° | 109.5° |
| O27 | C39 | C38 | 113.0° | 109.5° |
| O27 | C39 | H60 | 108.6° | 109.4° |
| O27 | C39 | H61 | 108.6° | 109.5° |
| C39 | O27 | H63 | 109.5° | 114.0° |
| C39 | C38 | C32 | 104.5° | 109.4° |
| C39 | C38 | H59 | 107.9° | 109.5° |
| C38 | C39 | H60 | 108.6° | 109.5° |
| C38 | C39 | H61 | 108.6° | 109.5° |
| C38 | C32 | C33 | 113.1° | 109.2° |
| C38 | C32 | O23 | 107.8° | 109.5° |
| C38 | C32 | H51 | 109.8° | 109.5° |
| C32 | C38 | H59 | 108.4° | 109.5° |
| C32 | C33 | O24 | 110.0° | 109.5° |
| C33 | C32 | O23 | 106.0° | 109.6° |
| C33 | C32 | H51 | 110.2° | 109.5° |
| C32 | C33 | H52 | 108.5° | 109.5° |
| O24 | C33 | H52 | 108.5° | 109.5° |
| C33 | O24 | H62 | 109.5° | 114.0° |
| O23 | C32 | H51 | 109.8° | 109.5° |
| C32 | O23 | C1 | 113.8° | 114.0° |
| H55 | C36 | H56 | 109.5° | 109.4° |
| H57 | C37 | H58 | 109.5° | 109.4° |
| H57 | C37 | C40 | 103.7° | 109.5° |
| H58 | C37 | C40 | 103.7° | 109.4° |
| H60 | C39 | H61 | 109.5° | 109.5° |
| C37 | C40 | C41 | 90.0° | 109.5° |
| C37 | C40 | H64 | 90.0° | 109.5° |
| C37 | C40 | H65 | 90.0° | 109.4° |
| C40 | C41 | C42 | 90.0° | 109.5° |
| C41 | C40 | H64 | 90.0° | 109.5° |
| C41 | C40 | H65 | 90.0° | 109.5° |
| C40 | C41 | H66 | 90.0° | 109.5° |
| C40 | C41 | H67 | 90.0° | 109.4° |
| C41 | C42 | C43 | 90.0° | 109.5° |
| C42 | C41 | H66 | 90.0° | 109.5° |
| C42 | C41 | H67 | 90.0° | 109.5° |
| C41 | C42 | H68 | 90.0° | 109.5° |
| C41 | C42 | H69 | 90.0° | 109.5° |
| C42 | C43 | C44 | 90.0° | 109.5° |
| C43 | C42 | H68 | 90.0° | 109.4° |
| C43 | C42 | H69 | 90.0° | 109.5° |
| C42 | C43 | H70 | 90.0° | 109.4° |
| C42 | C43 | H71 | 90.0° | 109.5° |
| C43 | C44 | C45 | 90.0° | 109.5° |
| C44 | C43 | H70 | 90.0° | 109.5° |
| C44 | C43 | H71 | 90.0° | 109.5° |
| C43 | C44 | H72 | 90.0° | 109.5° |
| C43 | C44 | H73 | 90.0° | 109.5° |
| C45 | C44 | H72 | 90.0° | 109.4° |
| C45 | C44 | H73 | 90.0° | 109.5° |
| C44 | C45 | H74 | 90.0° | 109.5° |
| C44 | C45 | H75 | 90.0° | 109.5° |
| C44 | C45 | C46 | 90.0° | 109.5° |
| H64 | C40 | H65 | 90.0° | 109.5° |
| H66 | C41 | H67 | 90.0° | 109.5° |
| H68 | C42 | H69 | 90.0° | 109.4° |
| H70 | C43 | H71 | 90.0° | 109.5° |
| H72 | C44 | H73 | 90.0° | 109.5° |
| H74 | C45 | H75 | 90.0° | 109.5° |
| H74 | C45 | C46 | 90.0° | 109.5° |
| H75 | C45 | C46 | 90.0° | 109.5° |
| C45 | C46 | H76 | 90.0° | 109.5° |
| C45 | C46 | H77 | 90.0° | 109.5° |
| C45 | C46 | C47 | 90.0° | 109.4° |
| H76 | C46 | H77 | 90.0° | 109.5° |
| H76 | C46 | C47 | 90.0° | 109.5° |
| H77 | C46 | C47 | 90.0° | 109.5° |
| C46 | C47 | H78 | 90.0° | 109.5° |
| C46 | C47 | H79 | 90.0° | 109.5° |
| C46 | C47 | C48 | 90.0° | 109.5° |
| H78 | C47 | H79 | 90.0° | 109.5° |
| H78 | C47 | C48 | 90.0° | 109.4° |
| H79 | C47 | C48 | 90.0° | 109.4° |
| C47 | C48 | C49 | 90.0° | 109.5° |
| C47 | C48 | H80 | 90.0° | 109.5° |
| C47 | C48 | H81 | 90.0° | 109.4° |
| C49 | C48 | H80 | 90.0° | 109.5° |
| C49 | C48 | H81 | 90.0° | 109.5° |
| C48 | C49 | H82 | 90.0° | 109.5° |
| C48 | C49 | H83 | 90.0° | 109.5° |
| C48 | C49 | H84 | 90.0° | 109.5° |
| H80 | C48 | H81 | 90.0° | 109.5° |
| H82 | C49 | H83 | 90.0° | 109.4° |
| H82 | C49 | H84 | 90.0° | 109.4° |
| H83 | C49 | H84 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O4 | H1 | 117.6° | 119.9° |
| C2 | C1 | O4 | O23 | 123.0° | 120.0° |
| C2 | C1 | H1 | O23 | 120.3° | 120.1° |
| C1 | C2 | C3 | O1 | 121.6° | 119.9° |
| C1 | C2 | C3 | H2 | 119.5° | 119.9° |
| C1 | C2 | O1 | H2 | 116.2° | 120.2° |
| C1 | C2 | C3 | C4 | 24.1° | 56.9° |
| C1 | C2 | C3 | O2 | 98.4° | 176.9° |
| C1 | C2 | C3 | H3 | 145.0° | 62.9° |
| C2 | C1 | O4 | C5 | 23.2° | 61.2° |
| C1 | C2 | O1 | H8 | 180.0° | 60.0° |
| C2 | C1 | O23 | C32 | 117.4° | 175.0° |
| O4 | C1 | H1 | O23 | 119.8° | 120.0° |
| O4 | C1 | C2 | C3 | 56.0° | 57.6° |
| O4 | C1 | C2 | O1 | 67.2° | 177.5° |
| O4 | C1 | C2 | H2 | 175.7° | 62.3° |
| C1 | O4 | C5 | C4 | 35.2° | 61.2° |
| C1 | O4 | C5 | C6 | 157.3° | 178.8° |
| C1 | O4 | C5 | H5 | 83.6° | 58.8° |
| O4 | C1 | O23 | C32 | 119.5° | 65.0° |
| H1 | C1 | C2 | C3 | 174.2° | 62.3° |
| H1 | C1 | C2 | O1 | 51.0° | 57.6° |
| H1 | C1 | C2 | H2 | 66.0° | 177.8° |
| H1 | C1 | O4 | C5 | 140.8° | 58.8° |
| H1 | C1 | O23 | C32 | 0.8° | 54.9° |
| C3 | C2 | O1 | H2 | 118.3° | 120.1° |
| C2 | C3 | C4 | O2 | 119.5° | 119.9° |
| C2 | C3 | C4 | H3 | 120.6° | 119.9° |
| C2 | C3 | O2 | H3 | 116.3° | 120.2° |
| C2 | C3 | C4 | C5 | 34.5° | 57.0° |
| C2 | C3 | C4 | O3 | 86.1° | 63.0° |
| C2 | C3 | C4 | H4 | 152.1° | 176.9° |
| C3 | C2 | O1 | H8 | 54.4° | 179.7° |
| C2 | C3 | O2 | C22 | 125.4° | 113.4° |
| C3 | C2 | C1 | O23 | 66.4° | 177.6° |
| O1 | C2 | C3 | C4 | 97.5° | 176.9° |
| O1 | C2 | C3 | O2 | 140.0° | 63.2° |
| O1 | C2 | C3 | H3 | 23.4° | 57.0° |
| O1 | C2 | C1 | O23 | 170.3° | 62.5° |
| H2 | C2 | C3 | C4 | 143.6° | 63.0° |
| H2 | C2 | C3 | O2 | 21.1° | 57.0° |
| H2 | C2 | C3 | H3 | 95.5° | 177.2° |
| H2 | C2 | O1 | H8 | 63.9° | 60.2° |
| H2 | C2 | C1 | O23 | 53.3° | 57.7° |
| C4 | C3 | O2 | H3 | 119.9° | 120.2° |
| C3 | C4 | C5 | O3 | 123.8° | 119.9° |
| C3 | C4 | C5 | H4 | 118.2° | 119.9° |
| C3 | C4 | O3 | H4 | 121.8° | 120.1° |
| C3 | C4 | C5 | C6 | 171.0° | 177.6° |
| C3 | C4 | C5 | O4 | 67.2° | 57.6° |
| C3 | C4 | C5 | H5 | 51.6° | 62.4° |
| C3 | C4 | O3 | C7 | 101.9° | 94.1° |
| C4 | C3 | O2 | C22 | 110.8° | 127.0° |
| O2 | C3 | C4 | C5 | 154.0° | 176.9° |
| O2 | C3 | C4 | O3 | 33.5° | 56.9° |
| O2 | C3 | C4 | H4 | 88.3° | 63.2° |
| C3 | O2 | C22 | C21 | 177.7° | 65.6° |
| C3 | O2 | C22 | C23 | 64.2° | 174.4° |
| C3 | O2 | C22 | O18 | 61.1° | 54.4° |
| H3 | C3 | C4 | C5 | 86.2° | 62.9° |
| H3 | C3 | C4 | O3 | 153.3° | 177.1° |
| H3 | C3 | C4 | H4 | 31.5° | 57.0° |
| H3 | C3 | O2 | C22 | 9.1° | 6.8° |
| C5 | C4 | O3 | H4 | 117.5° | 120.2° |
| C4 | C5 | C6 | O4 | 122.6° | 119.9° |
| C4 | C5 | C6 | H5 | 118.8° | 120.0° |
| C4 | C5 | O4 | H5 | 118.8° | 120.0° |
| C4 | C5 | C6 | O5 | 68.1° | 174.8° |
| C4 | C5 | C6 | H6 | 51.7° | 54.7° |
| C4 | C5 | C6 | H7 | 172.1° | 65.3° |
| C5 | C4 | O3 | C7 | 137.3° | 146.2° |
| O3 | C4 | C5 | C6 | 65.2° | 57.7° |
| O3 | C4 | C5 | O4 | 56.6° | 62.3° |
| O3 | C4 | C5 | H5 | 175.4° | 177.6° |
| C4 | O3 | C7 | C8 | 147.0° | 174.9° |
| C4 | O3 | C7 | O8 | 92.7° | 65.2° |
| C4 | O3 | C7 | H10 | 29.9° | 54.8° |
| H4 | C4 | C5 | C6 | 52.8° | 62.5° |
| H4 | C4 | C5 | O4 | 174.6° | 177.5° |
| H4 | C4 | C5 | H5 | 66.5° | 57.4° |
| H4 | C4 | O3 | C7 | 19.9° | 26.0° |
| C6 | C5 | O4 | H5 | 119.1° | 120.0° |
| C5 | C6 | O5 | H6 | 119.9° | 120.0° |
| C5 | C6 | O5 | H7 | 119.8° | 119.9° |
| C5 | C6 | H6 | H7 | 120.6° | 120.0° |
| C5 | C6 | O5 | H9 | 180.0° | 180.0° |
| O4 | C5 | C6 | O5 | 169.3° | 65.3° |
| O4 | C5 | C6 | H6 | 70.8° | 174.7° |
| O4 | C5 | C6 | H7 | 49.5° | 54.7° |
| C5 | O4 | C1 | O23 | 99.7° | 178.8° |
| H5 | C5 | C6 | O5 | 50.7° | 54.8° |
| H5 | C5 | C6 | H6 | 170.6° | 65.2° |
| H5 | C5 | C6 | H7 | 69.1° | 174.8° |
| O5 | C6 | H6 | H7 | 120.6° | 120.0° |
| H6 | C6 | O5 | H9 | 60.1° | 60.0° |
| H7 | C6 | O5 | H9 | 60.2° | 60.0° |
| C8 | C7 | O8 | H10 | 116.4° | 120.0° |
| C8 | C7 | O8 | O3 | 120.9° | 120.0° |
| C8 | C7 | H10 | O3 | 117.9° | 120.1° |
| C7 | C8 | C9 | N1 | 118.6° | 119.9° |
| C7 | C8 | C9 | H11 | 121.2° | 119.9° |
| C7 | C8 | N1 | H11 | 116.1° | 120.1° |
| C7 | C8 | C9 | C10 | 43.3° | 57.0° |
| C7 | C8 | C9 | O6 | 163.0° | 176.9° |
| C7 | C8 | C9 | H12 | 79.6° | 62.8° |
| C8 | C7 | O8 | C11 | 62.3° | 61.2° |
| C7 | C8 | N1 | C13 | 147.6° | 85.0° |
| C7 | C8 | N1 | H20 | 32.4° | 95.0° |
| O8 | C7 | H10 | O3 | 125.5° | 120.0° |
| O8 | C7 | C8 | C9 | 58.3° | 57.6° |
| O8 | C7 | C8 | N1 | 179.4° | 177.5° |
| O8 | C7 | C8 | H11 | 63.6° | 62.3° |
| C7 | O8 | C11 | C10 | 54.7° | 61.1° |
| C7 | O8 | C11 | C12 | 176.4° | 178.8° |
| C7 | O8 | C11 | H14 | 64.9° | 58.8° |
| H10 | C7 | C8 | C9 | 59.2° | 62.3° |
| H10 | C7 | C8 | N1 | 61.9° | 57.5° |
| H10 | C7 | C8 | H11 | 178.9° | 177.7° |
| H10 | C7 | O8 | C11 | 54.1° | 58.8° |
| C9 | C8 | N1 | H11 | 120.1° | 120.2° |
| C8 | C9 | C10 | O6 | 119.8° | 119.8° |
| C8 | C9 | C10 | H12 | 122.7° | 119.8° |
| C8 | C9 | O6 | H12 | 117.6° | 120.2° |
| C8 | C9 | C10 | C11 | 33.3° | 57.0° |
| C8 | C9 | C10 | O7 | 90.8° | 62.9° |
| C8 | C9 | C10 | H13 | 152.5° | 176.9° |
| C9 | C8 | N1 | C13 | 88.6° | 155.3° |
| C9 | C8 | N1 | H20 | 91.4° | 24.7° |
| C9 | C8 | C7 | O3 | 177.6° | 177.6° |
| C8 | C9 | O6 | C15 | 133.9° | 150.0° |
| N1 | C8 | C9 | C10 | 161.8° | 176.9° |
| N1 | C8 | C9 | O6 | 78.4° | 63.3° |
| N1 | C8 | C9 | H12 | 38.9° | 57.0° |
| C8 | N1 | C13 | C14 | 179.8° | 180.0° |
| C8 | N1 | C13 | H20 | 180.0° | 179.9° |
| C8 | N1 | C13 | O10 | 0.3° | 0.1° |
| N1 | C8 | C7 | O3 | 56.5° | 62.5° |
| H11 | C8 | C9 | C10 | 78.0° | 62.9° |
| H11 | C8 | C9 | O6 | 41.8° | 56.9° |
| H11 | C8 | C9 | H12 | 159.1° | 177.3° |
| H11 | C8 | N1 | C13 | 31.5° | 35.1° |
| H11 | C8 | N1 | H20 | 148.5° | 144.9° |
| H11 | C8 | C7 | O3 | 60.5° | 57.7° |
| C10 | C9 | O6 | H12 | 118.0° | 120.2° |
| C9 | C10 | C11 | O7 | 124.0° | 119.9° |
| C9 | C10 | C11 | H13 | 119.8° | 119.9° |
| C9 | C10 | O7 | H13 | 116.7° | 120.2° |
| C9 | C10 | C11 | C12 | 161.9° | 177.6° |
| C9 | C10 | C11 | O8 | 38.7° | 57.6° |
| C9 | C10 | C11 | H14 | 81.2° | 62.4° |
| C9 | C10 | O7 | H21 | 180.0° | 180.0° |
| C10 | C9 | O6 | C15 | 101.8° | 90.5° |
| O6 | C9 | C10 | C11 | 153.1° | 176.8° |
| O6 | C9 | C10 | O7 | 29.0° | 56.9° |
| O6 | C9 | C10 | H13 | 87.7° | 63.3° |
| C9 | O6 | C15 | O13 | 69.5° | 65.1° |
| C9 | O6 | C15 | C16 | 170.1° | 175.0° |
| C9 | O6 | C15 | H23 | 51.3° | 55.0° |
| H12 | C9 | C10 | C11 | 89.3° | 62.9° |
| H12 | C9 | C10 | O7 | 146.5° | 177.3° |
| H12 | C9 | C10 | H13 | 29.8° | 57.0° |
| H12 | C9 | O6 | C15 | 16.2° | 29.8° |
| C11 | C10 | O7 | H13 | 115.5° | 120.1° |
| C10 | C11 | C12 | O8 | 125.3° | 120.0° |
| C10 | C11 | C12 | H14 | 116.2° | 120.0° |
| C10 | C11 | O8 | H14 | 119.6° | 120.0° |
| C10 | C11 | C12 | O9 | 173.5° | 175.0° |
| C10 | C11 | C12 | H15 | 53.7° | 54.9° |
| C10 | C11 | C12 | H16 | 66.9° | 65.0° |
| C11 | C10 | O7 | H21 | 52.2° | 60.3° |
| O7 | C10 | C11 | C12 | 37.9° | 57.7° |
| O7 | C10 | C11 | O8 | 85.3° | 62.3° |
| O7 | C10 | C11 | H14 | 154.8° | 177.7° |
| H13 | C10 | C11 | C12 | 78.3° | 62.5° |
| H13 | C10 | C11 | O8 | 158.5° | 177.5° |
| H13 | C10 | C11 | H14 | 38.6° | 57.5° |
| H13 | C10 | O7 | H21 | 63.3° | 59.8° |
| C12 | C11 | O8 | H14 | 118.8° | 120.0° |
| C11 | C12 | O9 | H15 | 119.8° | 120.0° |
| C11 | C12 | O9 | H16 | 119.7° | 120.0° |
| C11 | C12 | H15 | H16 | 120.9° | 119.9° |
| C11 | C12 | O9 | H22 | 180.0° | 179.9° |
| O8 | C11 | C12 | O9 | 61.2° | 65.0° |
| O8 | C11 | C12 | H15 | 179.0° | 174.9° |
| O8 | C11 | C12 | H16 | 58.4° | 55.0° |
| C11 | O8 | C7 | O3 | 176.9° | 178.8° |
| H14 | C11 | C12 | O9 | 57.3° | 55.0° |
| H14 | C11 | C12 | H15 | 62.5° | 65.1° |
| H14 | C11 | C12 | H16 | 176.9° | 175.0° |
| O9 | C12 | H15 | H16 | 120.9° | 120.0° |
| H15 | C12 | O9 | H22 | 60.2° | 59.9° |
| H16 | C12 | O9 | H22 | 60.3° | 60.1° |
| C14 | C13 | N1 | O10 | 179.6° | 179.9° |
| C13 | C14 | H17 | H18 | 120.0° | 120.1° |
| C13 | C14 | H17 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C14 | C13 | N1 | H20 | 0.2° | 0.1° |
| N1 | C13 | C14 | H17 | 179.6° | 89.9° |
| N1 | C13 | C14 | H18 | 59.6° | 150.1° |
| N1 | C13 | C14 | H19 | 60.4° | 30.0° |
| O10 | C13 | C14 | H17 | 0.0° | 90.0° |
| O10 | C13 | C14 | H18 | 120.0° | 30.0° |
| O10 | C13 | C14 | H19 | 120.0° | 150.1° |
| O10 | C13 | N1 | H20 | 179.8° | 180.0° |
| H17 | C14 | H18 | H19 | 120.0° | 119.9° |
| O13 | C15 | C16 | H23 | 120.2° | 120.0° |
| O13 | C15 | C16 | O6 | 119.8° | 120.0° |
| O13 | C15 | H23 | O6 | 120.7° | 120.1° |
| O13 | C15 | C16 | C17 | 27.0° | 57.6° |
| O13 | C15 | C16 | F1 | 147.4° | 177.5° |
| O13 | C15 | C16 | H24 | 93.9° | 62.3° |
| C15 | O13 | C19 | C18 | 43.0° | 61.2° |
| C15 | O13 | C19 | C20 | 164.1° | 178.8° |
| C15 | O13 | C19 | H29 | 78.9° | 58.8° |
| C16 | C15 | H23 | O6 | 118.4° | 120.0° |
| C15 | C16 | C17 | F1 | 120.9° | 119.9° |
| C15 | C16 | C17 | H24 | 120.7° | 120.0° |
| C15 | C16 | F1 | H24 | 117.6° | 120.2° |
| C15 | C16 | C17 | C18 | 27.6° | 57.0° |
| C15 | C16 | C17 | O11 | 92.7° | 176.8° |
| C15 | C16 | C17 | H25 | 149.5° | 62.9° |
| C16 | C15 | O13 | C19 | 62.6° | 61.2° |
| H23 | C15 | C16 | C17 | 93.2° | 62.4° |
| H23 | C15 | C16 | F1 | 27.2° | 57.5° |
| H23 | C15 | C16 | H24 | 145.9° | 177.7° |
| H23 | C15 | O13 | C19 | 57.0° | 58.8° |
| C17 | C16 | F1 | H24 | 117.6° | 120.1° |
| C16 | C17 | C18 | O11 | 120.0° | 119.9° |
| C16 | C17 | C18 | H25 | 121.8° | 119.9° |
| C16 | C17 | O11 | H25 | 117.5° | 120.2° |
| C16 | C17 | O11 | H26 | 180.0° | 60.0° |
| C16 | C17 | C18 | C19 | 47.6° | 57.0° |
| C16 | C17 | C18 | O12 | 170.4° | 63.0° |
| C16 | C17 | C18 | H27 | 72.0° | 176.9° |
| C17 | C16 | C15 | O6 | 146.8° | 177.6° |
| F1 | C16 | C17 | C18 | 93.3° | 176.9° |
| F1 | C16 | C17 | O11 | 146.4° | 63.3° |
| F1 | C16 | C17 | H25 | 28.7° | 57.0° |
| F1 | C16 | C15 | O6 | 92.8° | 62.5° |
| H24 | C16 | C17 | C18 | 148.2° | 63.0° |
| H24 | C16 | C17 | O11 | 28.0° | 56.9° |
| H24 | C16 | C17 | H25 | 89.8° | 177.1° |
| H24 | C16 | C15 | O6 | 25.9° | 57.6° |
| C18 | C17 | O11 | H25 | 118.2° | 120.3° |
| C18 | C17 | O11 | H26 | 55.8° | 179.6° |
| C17 | C18 | C19 | O12 | 122.7° | 119.9° |
| C17 | C18 | C19 | H27 | 119.9° | 119.9° |
| C17 | C18 | O12 | H27 | 117.4° | 120.1° |
| C17 | C18 | O12 | H28 | 180.0° | 60.0° |
| C17 | C18 | C19 | C20 | 106.5° | 177.6° |
| C17 | C18 | C19 | O13 | 12.2° | 57.6° |
| C17 | C18 | C19 | H29 | 134.1° | 62.4° |
| O11 | C17 | C18 | C19 | 72.3° | 176.8° |
| O11 | C17 | C18 | O12 | 50.5° | 56.9° |
| O11 | C17 | C18 | H27 | 168.0° | 63.3° |
| H25 | C17 | O11 | H26 | 62.5° | 60.1° |
| H25 | C17 | C18 | C19 | 169.4° | 62.9° |
| H25 | C17 | C18 | O12 | 67.8° | 177.2° |
| H25 | C17 | C18 | H27 | 49.8° | 57.0° |
| C19 | C18 | O12 | H27 | 116.8° | 120.2° |
| C19 | C18 | O12 | H28 | 54.2° | 179.8° |
| C18 | C19 | C20 | O13 | 123.7° | 120.0° |
| C18 | C19 | C20 | H29 | 119.3° | 120.0° |
| C18 | C19 | O13 | H29 | 121.9° | 120.0° |
| C18 | C19 | C20 | O14 | 170.7° | 175.0° |
| C18 | C19 | C20 | H30 | 69.6° | 55.0° |
| C18 | C19 | C20 | H31 | 50.9° | 65.0° |
| O12 | C18 | C19 | C20 | 16.2° | 57.7° |
| O12 | C18 | C19 | O13 | 134.9° | 62.3° |
| O12 | C18 | C19 | H29 | 103.1° | 177.7° |
| H27 | C18 | O12 | H28 | 62.6° | 60.1° |
| H27 | C18 | C19 | C20 | 133.6° | 62.5° |
| H27 | C18 | C19 | O13 | 107.8° | 177.5° |
| H27 | C18 | C19 | H29 | 14.2° | 57.5° |
| C20 | C19 | O13 | H29 | 117.1° | 120.0° |
| C19 | C20 | O14 | H30 | 119.8° | 120.0° |
| C19 | C20 | O14 | H31 | 119.7° | 120.0° |
| C19 | C20 | H30 | H31 | 120.8° | 120.0° |
| C19 | C20 | O14 | H32 | 180.0° | 180.0° |
| O13 | C19 | C20 | O14 | 47.0° | 65.0° |
| O13 | C19 | C20 | H30 | 166.7° | 174.9° |
| O13 | C19 | C20 | H31 | 72.7° | 55.0° |
| C19 | O13 | C15 | O6 | 178.4° | 178.9° |
| H29 | C19 | C20 | O14 | 70.1° | 55.0° |
| H29 | C19 | C20 | H30 | 49.7° | 65.0° |
| H29 | C19 | C20 | H31 | 170.2° | 175.0° |
| O14 | C20 | H30 | H31 | 120.9° | 120.0° |
| H30 | C20 | O14 | H32 | 60.3° | 60.0° |
| H31 | C20 | O14 | H32 | 60.3° | 59.9° |
| C22 | C21 | O15 | O16 | 179.6° | 179.9° |
| C21 | C22 | C23 | O18 | 119.5° | 119.9° |
| C21 | C22 | C23 | O2 | 117.7° | 120.0° |
| C21 | C22 | O18 | O2 | 116.0° | 120.0° |
| C21 | C22 | C23 | C24 | 70.4° | 62.4° |
| C21 | C22 | C23 | H33 | 169.4° | 177.7° |
| C21 | C22 | C23 | H34 | 49.8° | 57.5° |
| C21 | C22 | O18 | C26 | 67.3° | 58.9° |
| C22 | C21 | O16 | H46 | 179.5° | 180.0° |
| O15 | C21 | C22 | C23 | 29.0° | 125.0° |
| O15 | C21 | C22 | O18 | 151.5° | 115.1° |
| O15 | C21 | O16 | H46 | 0.0° | 0.1° |
| O15 | C21 | C22 | O2 | 91.6° | 4.9° |
| O16 | C21 | C22 | C23 | 151.5° | 54.9° |
| O16 | C21 | C22 | O18 | 28.9° | 65.0° |
| O16 | C21 | C22 | O2 | 87.9° | 175.0° |
| C23 | C22 | O18 | O2 | 124.5° | 120.0° |
| C22 | C23 | C24 | H33 | 120.1° | 119.9° |
| C22 | C23 | C24 | H34 | 120.2° | 119.9° |
| C22 | C23 | H33 | H34 | 119.5° | 120.2° |
| C22 | C23 | C24 | C25 | 50.6° | 57.0° |
| C22 | C23 | C24 | O17 | 174.0° | 176.8° |
| C22 | C23 | C24 | H35 | 68.9° | 62.9° |
| C23 | C22 | O18 | C26 | 52.2° | 61.1° |
| O18 | C22 | C23 | C24 | 49.1° | 57.5° |
| O18 | C22 | C23 | H33 | 71.1° | 62.3° |
| O18 | C22 | C23 | H34 | 169.3° | 177.5° |
| C22 | O18 | C26 | C25 | 53.6° | 61.1° |
| C22 | O18 | C26 | C27 | 175.0° | 178.9° |
| C22 | O18 | C26 | H37 | 66.7° | 58.9° |
| C24 | C23 | H33 | H34 | 119.5° | 120.2° |
| C23 | C24 | C25 | O17 | 123.5° | 119.9° |
| C23 | C24 | C25 | H35 | 119.2° | 119.8° |
| C23 | C24 | O17 | H35 | 116.6° | 120.2° |
| C23 | C24 | C25 | C26 | 53.9° | 57.0° |
| C23 | C24 | C25 | N2 | 174.4° | 176.9° |
| C23 | C24 | C25 | H36 | 68.2° | 63.0° |
| C23 | C24 | O17 | H47 | 180.0° | 60.0° |
| C24 | C23 | C22 | O2 | 171.8° | 177.6° |
| H33 | C23 | C24 | C25 | 69.6° | 62.9° |
| H33 | C23 | C24 | O17 | 53.8° | 56.9° |
| H33 | C23 | C24 | H35 | 171.0° | 177.2° |
| H33 | C23 | C22 | O2 | 51.7° | 57.7° |
| H34 | C23 | C24 | C25 | 170.8° | 176.9° |
| H34 | C23 | C24 | O17 | 65.9° | 63.2° |
| H34 | C23 | C24 | H35 | 51.3° | 57.0° |
| H34 | C23 | C22 | O2 | 68.0° | 62.5° |
| C25 | C24 | O17 | H35 | 117.1° | 120.2° |
| C24 | C25 | C26 | N2 | 116.9° | 119.9° |
| C24 | C25 | C26 | H36 | 122.1° | 119.9° |
| C24 | C25 | N2 | H36 | 117.8° | 120.2° |
| C24 | C25 | C26 | C27 | 171.9° | 177.6° |
| C24 | C25 | C26 | O18 | 52.9° | 57.6° |
| C24 | C25 | C26 | H37 | 67.1° | 62.4° |
| C24 | C25 | N2 | C30 | 143.6° | 85.0° |
| C24 | C25 | N2 | H45 | 36.4° | 95.0° |
| C25 | C24 | O17 | H47 | 53.8° | 179.5° |
| O17 | C24 | C25 | C26 | 177.4° | 176.9° |
| O17 | C24 | C25 | N2 | 62.2° | 63.2° |
| O17 | C24 | C25 | H36 | 55.3° | 56.9° |
| H35 | C24 | C25 | C26 | 65.3° | 62.9° |
| H35 | C24 | C25 | N2 | 55.2° | 57.0° |
| H35 | C24 | C25 | H36 | 172.6° | 177.2° |
| H35 | C24 | O17 | H47 | 63.3° | 60.3° |
| C26 | C25 | N2 | H36 | 121.3° | 120.2° |
| C25 | C26 | C27 | O18 | 120.9° | 120.0° |
| C25 | C26 | C27 | H37 | 121.1° | 120.0° |
| C25 | C26 | O18 | H37 | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 164.6° | 174.9° |
| C25 | C26 | C27 | O19 | 44.3° | 54.9° |
| C25 | C26 | C27 | H38 | 77.6° | 65.1° |
| C26 | C25 | N2 | C30 | 95.5° | 155.3° |
| C26 | C25 | N2 | H45 | 84.5° | 24.6° |
| N2 | C25 | C26 | C27 | 71.2° | 62.5° |
| N2 | C25 | C26 | O18 | 169.9° | 177.5° |
| N2 | C25 | C26 | H37 | 49.9° | 57.5° |
| C25 | N2 | C30 | C31 | 179.1° | 180.0° |
| C25 | N2 | C30 | H45 | 180.0° | 179.9° |
| C25 | N2 | C30 | O22 | 0.7° | 0.1° |
| H36 | C25 | C26 | C27 | 49.8° | 57.7° |
| H36 | C25 | C26 | O18 | 69.1° | 62.3° |
| H36 | C25 | C26 | H37 | 170.9° | 177.7° |
| H36 | C25 | N2 | C30 | 25.8° | 35.1° |
| H36 | C25 | N2 | H45 | 154.3° | 144.8° |
| C27 | C26 | O18 | H37 | 118.3° | 120.0° |
| C26 | C27 | C28 | O19 | 121.4° | 119.9° |
| C26 | C27 | C28 | H38 | 118.3° | 120.1° |
| C26 | C27 | O19 | H38 | 121.2° | 120.0° |
| C26 | C27 | C28 | C29 | 166.0° | 176.5° |
| C26 | C27 | C28 | O20 | 45.7° | 56.5° |
| C26 | C27 | C28 | H39 | 75.1° | 63.6° |
| C26 | C27 | O19 | H48 | 79.7° | 60.0° |
| O18 | C26 | C27 | C28 | 43.7° | 54.9° |
| O18 | C26 | C27 | O19 | 76.5° | 65.1° |
| O18 | C26 | C27 | H38 | 161.6° | 174.9° |
| C26 | O18 | C22 | O2 | 176.7° | 178.9° |
| H37 | C26 | C27 | C28 | 74.3° | 65.1° |
| H37 | C26 | C27 | O19 | 165.5° | 174.9° |
| H37 | C26 | C27 | H38 | 43.6° | 54.9° |
| C28 | C27 | O19 | H38 | 119.1° | 120.0° |
| C27 | C28 | C29 | O20 | 120.6° | 120.0° |
| C27 | C28 | C29 | H39 | 118.9° | 120.0° |
| C27 | C28 | O20 | H39 | 119.5° | 120.1° |
| C27 | C28 | C29 | O21 | 171.6° | 175.0° |
| C27 | C28 | C29 | H40 | 68.7° | 55.0° |
| C27 | C28 | C29 | H41 | 51.7° | 65.0° |
| C28 | C27 | O19 | H48 | 160.6° | 59.9° |
| C27 | C28 | O20 | H49 | 179.9° | 60.0° |
| O19 | C27 | C28 | C29 | 72.5° | 63.6° |
| O19 | C27 | C28 | O20 | 167.1° | 176.4° |
| O19 | C27 | C28 | H39 | 46.4° | 56.4° |
| H38 | C27 | C28 | C29 | 47.8° | 56.4° |
| H38 | C27 | C28 | O20 | 72.6° | 63.6° |
| H38 | C27 | C28 | H39 | 166.7° | 176.4° |
| H38 | C27 | O19 | H48 | 41.5° | 180.0° |
| C29 | C28 | O20 | H39 | 119.3° | 120.0° |
| C28 | C29 | O21 | H40 | 119.8° | 120.0° |
| C28 | C29 | O21 | H41 | 119.8° | 120.0° |
| C28 | C29 | H40 | H41 | 120.6° | 120.0° |
| C29 | C28 | O20 | H49 | 58.7° | 60.0° |
| C28 | C29 | O21 | H50 | 180.0° | 180.0° |
| O20 | C28 | C29 | O21 | 51.0° | 65.0° |
| O20 | C28 | C29 | H40 | 170.8° | 175.0° |
| O20 | C28 | C29 | H41 | 68.9° | 55.0° |
| H39 | C28 | C29 | O21 | 69.5° | 55.0° |
| H39 | C28 | C29 | H40 | 50.2° | 65.0° |
| H39 | C28 | C29 | H41 | 170.6° | 175.0° |
| H39 | C28 | O20 | H49 | 60.6° | 180.0° |
| O21 | C29 | H40 | H41 | 120.6° | 120.0° |
| H40 | C29 | O21 | H50 | 60.2° | 60.0° |
| H41 | C29 | O21 | H50 | 60.2° | 60.0° |
| C31 | C30 | N2 | O22 | 178.4° | 179.9° |
| C30 | C31 | H42 | H43 | 120.0° | 119.9° |
| C30 | C31 | H42 | H44 | 120.0° | 120.0° |
| C30 | C31 | H43 | H44 | 119.9° | 120.0° |
| C31 | C30 | N2 | H45 | 0.9° | 0.1° |
| N2 | C30 | C31 | H42 | 178.4° | 90.1° |
| N2 | C30 | C31 | H43 | 61.6° | 149.9° |
| N2 | C30 | C31 | H44 | 58.4° | 30.0° |
| O22 | C30 | C31 | H42 | 0.0° | 90.0° |
| O22 | C30 | C31 | H43 | 120.0° | 30.0° |
| O22 | C30 | C31 | H44 | 120.0° | 150.0° |
| O22 | C30 | N2 | H45 | 179.3° | 180.0° |
| H42 | C31 | H43 | H44 | 120.0° | 120.1° |
| C37 | C36 | O25 | H55 | 121.0° | 120.0° |
| C37 | C36 | O25 | H56 | 121.0° | 120.1° |
| C37 | C36 | O25 | C35 | 5.8° | 180.0° |
| C37 | C36 | H55 | H56 | 116.7° | 120.0° |
| C36 | C37 | H57 | H58 | 110.2° | 120.0° |
| C36 | C37 | H57 | C40 | 139.7° | 120.1° |
| C36 | C37 | H58 | C40 | 139.7° | 120.0° |
| C36 | C37 | C40 | C41 | 90.0° | 180.0° |
| C36 | C37 | C40 | H64 | 90.0° | 59.9° |
| C36 | C37 | C40 | H65 | 90.0° | 60.1° |
| C36 | O25 | C35 | O26 | 146.5° | 65.0° |
| C36 | O25 | C35 | C34 | 93.8° | 175.0° |
| C36 | O25 | C35 | H54 | 26.5° | 55.0° |
| O25 | C36 | H55 | H56 | 116.9° | 120.0° |
| O25 | C36 | C37 | H57 | 43.9° | 59.9° |
| O25 | C36 | C37 | H58 | 70.4° | 60.0° |
| O25 | C36 | C37 | C40 | 166.7° | 180.0° |
| O25 | C35 | O26 | C34 | 120.7° | 120.0° |
| O25 | C35 | O26 | H54 | 120.9° | 120.0° |
| O25 | C35 | C34 | H54 | 121.4° | 120.1° |
| O25 | C35 | C34 | F2 | 57.7° | 62.5° |
| O25 | C35 | O26 | C38 | 158.3° | 178.9° |
| O25 | C35 | C34 | C33 | 177.9° | 177.6° |
| O25 | C35 | C34 | H53 | 63.7° | 57.7° |
| C35 | O25 | C36 | H55 | 115.2° | 60.0° |
| C35 | O25 | C36 | H56 | 126.8° | 59.9° |
| O26 | C35 | C34 | H54 | 118.6° | 120.0° |
| O26 | C35 | C34 | F2 | 177.7° | 177.5° |
| O26 | C35 | C34 | C33 | 62.1° | 57.6° |
| C35 | O26 | C38 | C39 | 133.8° | 179.0° |
| C35 | O26 | C38 | C32 | 15.7° | 61.1° |
| O26 | C35 | C34 | H53 | 56.3° | 62.3° |
| C35 | O26 | C38 | H59 | 110.5° | 58.9° |
| C35 | C34 | F2 | C33 | 119.3° | 119.7° |
| C35 | C34 | F2 | H53 | 120.3° | 120.2° |
| C34 | C35 | O26 | C38 | 37.6° | 61.1° |
| C35 | C34 | C33 | H53 | 118.2° | 119.9° |
| C35 | C34 | C33 | C32 | 66.8° | 57.0° |
| C35 | C34 | C33 | O24 | 171.0° | 176.9° |
| C35 | C34 | C33 | H52 | 53.3° | 62.9° |
| F2 | C34 | C33 | H53 | 121.3° | 120.2° |
| F2 | C34 | C33 | C32 | 172.8° | 176.9° |
| F2 | C34 | C33 | O24 | 50.5° | 63.2° |
| F2 | C34 | C33 | H52 | 67.2° | 57.0° |
| F2 | C34 | C35 | H54 | 63.7° | 57.6° |
| O26 | C38 | C39 | O27 | 140.7° | 65.1° |
| O26 | C38 | C39 | C32 | 128.6° | 119.9° |
| O26 | C38 | C39 | H59 | 116.2° | 120.0° |
| O26 | C38 | C32 | H59 | 126.4° | 120.0° |
| O26 | C38 | C32 | C33 | 16.6° | 57.5° |
| O26 | C38 | C32 | O23 | 133.5° | 177.5° |
| O26 | C38 | C32 | H51 | 106.9° | 62.4° |
| C38 | O26 | C35 | H54 | 80.8° | 58.9° |
| O26 | C38 | C39 | H60 | 20.2° | 175.0° |
| O26 | C38 | C39 | H61 | 98.8° | 54.9° |
| C34 | C33 | C32 | C38 | 42.1° | 57.0° |
| C34 | C33 | C32 | O24 | 121.5° | 119.9° |
| C34 | C33 | C32 | H52 | 119.9° | 120.0° |
| C34 | C33 | O24 | H52 | 117.5° | 120.3° |
| C34 | C33 | C32 | O23 | 160.0° | 176.9° |
| C34 | C33 | C32 | H51 | 81.2° | 62.9° |
| C33 | C34 | C35 | H54 | 56.5° | 62.3° |
| C34 | C33 | O24 | H62 | 180.0° | 60.5° |
| O27 | C39 | C38 | H60 | 120.5° | 119.9° |
| O27 | C39 | C38 | H61 | 120.5° | 120.0° |
| O27 | C39 | C38 | C32 | 90.7° | 175.0° |
| O27 | C39 | C38 | H59 | 24.5° | 54.9° |
| O27 | C39 | H60 | H61 | 118.4° | 120.0° |
| C39 | C38 | C32 | H59 | 114.9° | 120.1° |
| C39 | C38 | C32 | C33 | 135.4° | 177.5° |
| C39 | C38 | C32 | O23 | 107.7° | 62.5° |
| C39 | C38 | C32 | H51 | 11.8° | 57.6° |
| C38 | C39 | H60 | H61 | 118.4° | 120.0° |
| C38 | C39 | O27 | H63 | 180.0° | 180.0° |
| C38 | C32 | C33 | O23 | 117.9° | 119.9° |
| C38 | C32 | C33 | H51 | 123.3° | 119.9° |
| C38 | C32 | C33 | O24 | 163.6° | 176.8° |
| C38 | C32 | O23 | H51 | 119.5° | 120.1° |
| C38 | C32 | C33 | H52 | 77.9° | 63.0° |
| C32 | C38 | C39 | H60 | 148.8° | 55.1° |
| C32 | C38 | C39 | H61 | 29.8° | 65.0° |
| C38 | C32 | O23 | C1 | 83.5° | 150.2° |
| C32 | C33 | O24 | H52 | 118.5° | 120.1° |
| C33 | C32 | O23 | H51 | 119.1° | 120.1° |
| C32 | C33 | C34 | H53 | 51.4° | 62.9° |
| C33 | C32 | C38 | H59 | 109.7° | 62.4° |
| C32 | C33 | O24 | H62 | 56.0° | 180.0° |
| C33 | C32 | O23 | C1 | 155.1° | 90.1° |
| O24 | C33 | C32 | O23 | 78.6° | 63.2° |
| O24 | C33 | C32 | H51 | 40.3° | 56.9° |
| O24 | C33 | C34 | H53 | 70.8° | 57.0° |
| O23 | C32 | C33 | H52 | 40.0° | 56.9° |
| O23 | C32 | C38 | H59 | 7.1° | 57.5° |
| H51 | C32 | C33 | H52 | 158.9° | 177.1° |
| H51 | C32 | C38 | H59 | 126.7° | 177.7° |
| H51 | C32 | O23 | C1 | 36.0° | 30.0° |
| H52 | C33 | C34 | H53 | 171.5° | 177.2° |
| H52 | C33 | O24 | H62 | 62.5° | 59.8° |
| H53 | C34 | C35 | H54 | 174.9° | 177.7° |
| H55 | C36 | C37 | H57 | 77.1° | 60.1° |
| H55 | C36 | C37 | H58 | 168.6° | 180.0° |
| H55 | C36 | C37 | C40 | 45.7° | 60.0° |
| H56 | C36 | C37 | H57 | 165.0° | 180.0° |
| H56 | C36 | C37 | H58 | 50.6° | 60.0° |
| H56 | C36 | C37 | C40 | 72.2° | 59.9° |
| H57 | C37 | H58 | C40 | 110.1° | 120.0° |
| H57 | C37 | C40 | C41 | 90.0° | 59.9° |
| H57 | C37 | C40 | H64 | 90.0° | 180.0° |
| H57 | C37 | C40 | H65 | 90.0° | 60.0° |
| H58 | C37 | C40 | C41 | 90.0° | 60.0° |
| H58 | C37 | C40 | H64 | 90.0° | 60.0° |
| H58 | C37 | C40 | H65 | 90.0° | 180.0° |
| H59 | C38 | C39 | H60 | 96.0° | 65.0° |
| H59 | C38 | C39 | H61 | 145.0° | 175.0° |
| H60 | C39 | O27 | H63 | 59.5° | 60.0° |
| H61 | C39 | O27 | H63 | 59.5° | 60.0° |
| C37 | C40 | C41 | H64 | 90.0° | 120.1° |
| C37 | C40 | C41 | H65 | 90.0° | 119.9° |
| C37 | C40 | C41 | C42 | 90.0° | 180.0° |
| C37 | C40 | H64 | H65 | 90.0° | 119.9° |
| C37 | C40 | C41 | H66 | 90.0° | 59.9° |
| C37 | C40 | C41 | H67 | 90.0° | 60.1° |
| C40 | C41 | C42 | H66 | 90.0° | 120.0° |
| C40 | C41 | C42 | H67 | 90.0° | 120.0° |
| C40 | C41 | C42 | C43 | 90.0° | 180.0° |
| C41 | C40 | H64 | H65 | 90.0° | 120.0° |
| C40 | C41 | H66 | H67 | 90.0° | 120.0° |
| C40 | C41 | C42 | H68 | 90.0° | 60.0° |
| C40 | C41 | C42 | H69 | 90.0° | 60.0° |
| C41 | C42 | C43 | H68 | 90.0° | 120.0° |
| C41 | C42 | C43 | H69 | 90.0° | 120.1° |
| C41 | C42 | C43 | C44 | 90.0° | 180.0° |
| C42 | C41 | C40 | H64 | 90.0° | 60.0° |
| C42 | C41 | C40 | H65 | 90.0° | 60.1° |
| C42 | C41 | H66 | H67 | 90.0° | 120.0° |
| C41 | C42 | H68 | H69 | 90.0° | 120.0° |
| C41 | C42 | C43 | H70 | 90.0° | 60.0° |
| C41 | C42 | C43 | H71 | 90.0° | 60.0° |
| C42 | C43 | C44 | H70 | 90.0° | 120.0° |
| C42 | C43 | C44 | H71 | 90.0° | 120.0° |
| C42 | C43 | C44 | C45 | 90.0° | 180.0° |
| C43 | C42 | C41 | H66 | 90.0° | 60.0° |
| C43 | C42 | C41 | H67 | 90.0° | 60.0° |
| C43 | C42 | H68 | H69 | 90.0° | 120.0° |
| C42 | C43 | H70 | H71 | 90.0° | 120.0° |
| C42 | C43 | C44 | H72 | 90.0° | 60.1° |
| C42 | C43 | C44 | H73 | 90.0° | 60.0° |
| C43 | C44 | C45 | H72 | 90.0° | 120.0° |
| C43 | C44 | C45 | H73 | 90.0° | 120.0° |
| C44 | C43 | C42 | H68 | 90.0° | 60.0° |
| C44 | C43 | C42 | H69 | 90.0° | 59.9° |
| C44 | C43 | H70 | H71 | 90.0° | 120.0° |
| C43 | C44 | H72 | H73 | 90.0° | 120.0° |
| C43 | C44 | C45 | H74 | 90.0° | 60.0° |
| C43 | C44 | C45 | H75 | 90.0° | 60.0° |
| C43 | C44 | C45 | C46 | 90.0° | 180.0° |
| C45 | C44 | C43 | H70 | 90.0° | 60.0° |
| C45 | C44 | C43 | H71 | 90.0° | 60.0° |
| C45 | C44 | H72 | H73 | 90.0° | 120.0° |
| C44 | C45 | H74 | H75 | 90.0° | 120.0° |
| C44 | C45 | H74 | C46 | 90.0° | 120.0° |
| C44 | C45 | H75 | C46 | 90.0° | 120.0° |
| C44 | C45 | C46 | H76 | 90.0° | 60.0° |
| C44 | C45 | C46 | H77 | 90.0° | 60.0° |
| C44 | C45 | C46 | C47 | 90.0° | 180.0° |
| H64 | C40 | C41 | H66 | 90.0° | 180.0° |
| H64 | C40 | C41 | H67 | 90.0° | 60.0° |
| H65 | C40 | C41 | H66 | 90.0° | 59.9° |
| H65 | C40 | C41 | H67 | 90.0° | 179.9° |
| H66 | C41 | C42 | H68 | 90.0° | 180.0° |
| H66 | C41 | C42 | H69 | 90.0° | 60.0° |
| H67 | C41 | C42 | H68 | 90.0° | 60.0° |
| H67 | C41 | C42 | H69 | 90.0° | 179.9° |
| H68 | C42 | C43 | H70 | 90.0° | 180.0° |
| H68 | C42 | C43 | H71 | 90.0° | 60.0° |
| H69 | C42 | C43 | H70 | 90.0° | 60.1° |
| H69 | C42 | C43 | H71 | 90.0° | 179.9° |
| H70 | C43 | C44 | H72 | 90.0° | 180.0° |
| H70 | C43 | C44 | H73 | 90.0° | 60.0° |
| H71 | C43 | C44 | H72 | 90.0° | 59.9° |
| H71 | C43 | C44 | H73 | 90.0° | 180.0° |
| H72 | C44 | C45 | H74 | 90.0° | 180.0° |
| H72 | C44 | C45 | H75 | 90.0° | 60.0° |
| H72 | C44 | C45 | C46 | 90.0° | 60.0° |
| H73 | C44 | C45 | H74 | 90.0° | 60.0° |
| H73 | C44 | C45 | H75 | 90.0° | 180.0° |
| H73 | C44 | C45 | C46 | 90.0° | 60.0° |
| H74 | C45 | H75 | C46 | 90.0° | 120.0° |
| H74 | C45 | C46 | H76 | 90.0° | 180.0° |
| H74 | C45 | C46 | H77 | 90.0° | 60.0° |
| H74 | C45 | C46 | C47 | 90.0° | 60.0° |
| H75 | C45 | C46 | H76 | 90.0° | 60.0° |
| H75 | C45 | C46 | H77 | 90.0° | 180.0° |
| H75 | C45 | C46 | C47 | 90.0° | 60.0° |
| C45 | C46 | H76 | H77 | 90.0° | 120.0° |
| C45 | C46 | H76 | C47 | 90.0° | 120.0° |
| C45 | C46 | H77 | C47 | 90.0° | 120.0° |
| C45 | C46 | C47 | H78 | 90.0° | 60.0° |
| C45 | C46 | C47 | H79 | 90.0° | 60.0° |
| C45 | C46 | C47 | C48 | 90.0° | 180.0° |
| H76 | C46 | H77 | C47 | 90.0° | 120.0° |
| H76 | C46 | C47 | H78 | 90.0° | 180.0° |
| H76 | C46 | C47 | H79 | 90.0° | 60.0° |
| H76 | C46 | C47 | C48 | 90.0° | 60.0° |
| H77 | C46 | C47 | H78 | 90.0° | 60.0° |
| H77 | C46 | C47 | H79 | 90.0° | 180.0° |
| H77 | C46 | C47 | C48 | 90.0° | 60.0° |
| C46 | C47 | H78 | H79 | 90.0° | 120.1° |
| C46 | C47 | H78 | C48 | 90.0° | 120.0° |
| C46 | C47 | H79 | C48 | 90.0° | 120.0° |
| C46 | C47 | C48 | C49 | 90.0° | 180.0° |
| C46 | C47 | C48 | H80 | 90.0° | 60.0° |
| C46 | C47 | C48 | H81 | 90.0° | 60.0° |
| H78 | C47 | H79 | C48 | 90.0° | 119.9° |
| H78 | C47 | C48 | C49 | 90.0° | 59.9° |
| H78 | C47 | C48 | H80 | 90.0° | 180.0° |
| H78 | C47 | C48 | H81 | 90.0° | 60.1° |
| H79 | C47 | C48 | C49 | 90.0° | 60.0° |
| H79 | C47 | C48 | H80 | 90.0° | 60.0° |
| H79 | C47 | C48 | H81 | 90.0° | 180.0° |
| C47 | C48 | C49 | H80 | 90.0° | 120.0° |
| C47 | C48 | C49 | H81 | 90.0° | 120.0° |
| C47 | C48 | H80 | H81 | 90.0° | 119.9° |
| C47 | C48 | C49 | H82 | 90.0° | 60.0° |
| C47 | C48 | C49 | H83 | 90.0° | 180.0° |
| C47 | C48 | C49 | H84 | 90.0° | 59.9° |
| C49 | C48 | H80 | H81 | 90.0° | 120.0° |
| C48 | C49 | H82 | H83 | 90.0° | 120.0° |
| C48 | C49 | H82 | H84 | 90.0° | 120.0° |
| C48 | C49 | H83 | H84 | 90.0° | 120.1° |
| H80 | C48 | C49 | H82 | 90.0° | 60.0° |
| H80 | C48 | C49 | H83 | 90.0° | 60.0° |
| H80 | C48 | C49 | H84 | 90.0° | 180.0° |
| H81 | C48 | C49 | H82 | 90.0° | 180.0° |
| H81 | C48 | C49 | H83 | 90.0° | 60.0° |
| H81 | C48 | C49 | H84 | 90.0° | 60.0° |
| H82 | C49 | H83 | H84 | 90.0° | 120.0° |
