A1C3H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C45 | C46 | sing | 1.51Å | 1.49Å | |
| C45 | C44 | doub | 1.31Å | 1.32Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C44 | C43 | sing | 1.51Å | 1.49Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | doub | 1.31Å | 1.31Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C52 | C51 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.51Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C18 | O19 | doub | 1.21Å | 1.20Å | |
| C18 | O20 | sing | 1.34Å | 1.33Å | |
| O20 | C21 | sing | 1.45Å | 1.44Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C37 | C35 | sing | 1.51Å | 1.50Å | |
| C35 | O36 | doub | 1.21Å | 1.20Å | |
| C35 | O34 | sing | 1.34Å | 1.34Å | |
| C22 | O34 | sing | 1.45Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | O24 | sing | 1.43Å | 1.44Å | |
| O24 | P25 | sing | 1.61Å | 1.59Å | |
| O26 | P25 | doub | 1.48Å | 1.48Å | |
| P25 | O28 | sing | 1.61Å | 1.59Å | |
| P25 | O27 | sing | 1.61Å | 1.48Å | |
| O28 | C29 | sing | 1.43Å | 1.44Å | |
| O33 | C30 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | O32 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | 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 | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.08Å | 1.08Å | |
| C45 | H43 | sing | 1.08Å | 1.08Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| C47 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H50 | sing | 1.09Å | 1.10Å | |
| C49 | H51 | sing | 1.09Å | 1.10Å | |
| C50 | H52 | sing | 1.09Å | 1.10Å | |
| C50 | H53 | sing | 1.09Å | 1.10Å | |
| C51 | H54 | sing | 1.09Å | 1.10Å | |
| C51 | H55 | sing | 1.09Å | 1.10Å | |
| C52 | H56 | sing | 1.09Å | 1.10Å | |
| C52 | H57 | sing | 1.09Å | 1.10Å | |
| C53 | H58 | sing | 1.09Å | 1.10Å | |
| C53 | H59 | sing | 1.09Å | 1.10Å | |
| C53 | H60 | sing | 1.09Å | 1.10Å | |
| C10 | H61 | sing | 1.08Å | 1.08Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H74 | sing | 1.09Å | 1.10Å | |
| C8 | H75 | sing | 1.09Å | 1.10Å | |
| C9 | H76 | sing | 1.08Å | 1.08Å | |
| O27 | H77 | sing | 0.97Å | 0.95Å | |
| O32 | H78 | sing | 0.97Å | 0.95Å | |
| O33 | H79 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.5° | 109.5° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C2 | C3 | C4 | 113.2° | 109.5° |
| C3 | C2 | H4 | 108.5° | 109.5° |
| C3 | C2 | H5 | 108.5° | 109.4° |
| C2 | C3 | H6 | 108.5° | 109.5° |
| C2 | C3 | H7 | 108.5° | 109.4° |
| C3 | C4 | C5 | 114.1° | 109.5° |
| C4 | C3 | H6 | 108.5° | 109.4° |
| C4 | C3 | H7 | 108.5° | 109.5° |
| C3 | C4 | H8 | 108.3° | 109.4° |
| C3 | C4 | H9 | 108.3° | 109.4° |
| C4 | C5 | C6 | 113.9° | 109.5° |
| C5 | C4 | H8 | 108.3° | 109.5° |
| C5 | C4 | H9 | 108.3° | 109.5° |
| C4 | C5 | H10 | 108.4° | 109.5° |
| C4 | C5 | H11 | 108.3° | 109.5° |
| C5 | C6 | C7 | 113.2° | 109.5° |
| C6 | C5 | H10 | 108.4° | 109.4° |
| C6 | C5 | H11 | 108.4° | 109.4° |
| C5 | C6 | H12 | 108.5° | 109.5° |
| C5 | C6 | H13 | 108.5° | 109.5° |
| C6 | C7 | C8 | 113.7° | 109.5° |
| C7 | C6 | H12 | 108.5° | 109.5° |
| C7 | C6 | H13 | 108.5° | 109.5° |
| C6 | C7 | H72 | 108.4° | 109.5° |
| C6 | C7 | H73 | 108.4° | 109.5° |
| C46 | C45 | C44 | 126.2° | 120.0° |
| C45 | C46 | C47 | 112.2° | 109.5° |
| C46 | C45 | H43 | 116.9° | 120.0° |
| C45 | C46 | H44 | 108.8° | 109.5° |
| C45 | C46 | H45 | 108.8° | 109.5° |
| C45 | C44 | C43 | 125.9° | 120.1° |
| C45 | C44 | H42 | 117.1° | 120.0° |
| C44 | C45 | H43 | 116.9° | 120.0° |
| C46 | C47 | C48 | 114.0° | 109.5° |
| C47 | C46 | H44 | 108.8° | 109.5° |
| C47 | C46 | H45 | 108.8° | 109.5° |
| C46 | C47 | H46 | 108.3° | 109.5° |
| C46 | C47 | H47 | 108.3° | 109.5° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C8 | C7 | H72 | 108.4° | 109.4° |
| C8 | C7 | H73 | 108.4° | 109.4° |
| C7 | C8 | H74 | 108.5° | 109.5° |
| C7 | C8 | H75 | 108.5° | 109.5° |
| C8 | C9 | C10 | 125.8° | 120.0° |
| C9 | C8 | H74 | 108.5° | 109.5° |
| C9 | C8 | H75 | 108.5° | 109.4° |
| C8 | C9 | H76 | 117.1° | 120.0° |
| C44 | C43 | C42 | 113.3° | 109.5° |
| C44 | C43 | H40 | 108.5° | 109.5° |
| C44 | C43 | H41 | 108.5° | 109.5° |
| C43 | C44 | H42 | 117.1° | 120.0° |
| C47 | C48 | C49 | 113.9° | 109.5° |
| C48 | C47 | H46 | 108.3° | 109.5° |
| C48 | C47 | H47 | 108.3° | 109.4° |
| C47 | C48 | H48 | 108.4° | 109.5° |
| C47 | C48 | H49 | 108.3° | 109.5° |
| C9 | C10 | C11 | 126.3° | 120.0° |
| C9 | C10 | H61 | 116.8° | 119.9° |
| C10 | C9 | H76 | 117.1° | 120.0° |
| C48 | C49 | C50 | 113.8° | 109.5° |
| C49 | C48 | H48 | 108.3° | 109.5° |
| C49 | C48 | H49 | 108.4° | 109.5° |
| C48 | C49 | H50 | 108.4° | 109.5° |
| C48 | C49 | H51 | 108.4° | 109.5° |
| C43 | C42 | C41 | 113.8° | 109.5° |
| C43 | C42 | H38 | 108.4° | 109.4° |
| C43 | C42 | H39 | 108.4° | 109.5° |
| C42 | C43 | H40 | 108.5° | 109.4° |
| C42 | C43 | H41 | 108.5° | 109.5° |
| C42 | C41 | C40 | 114.0° | 109.5° |
| C42 | C41 | H36 | 108.3° | 109.5° |
| C42 | C41 | H37 | 108.4° | 109.5° |
| C41 | C42 | H38 | 108.4° | 109.5° |
| C41 | C42 | H39 | 108.4° | 109.5° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C10 | C11 | H14 | 108.7° | 109.5° |
| C10 | C11 | H15 | 108.7° | 109.5° |
| C11 | C10 | H61 | 116.9° | 120.0° |
| C49 | C50 | C51 | 114.0° | 109.5° |
| C50 | C49 | H50 | 108.4° | 109.4° |
| C50 | C49 | H51 | 108.4° | 109.5° |
| C49 | C50 | H52 | 108.3° | 109.4° |
| C49 | C50 | H53 | 108.3° | 109.5° |
| C41 | C40 | C39 | 113.6° | 109.5° |
| C40 | C41 | H36 | 108.3° | 109.4° |
| C40 | C41 | H37 | 108.3° | 109.5° |
| C41 | C40 | H70 | 108.4° | 109.5° |
| C41 | C40 | H71 | 108.4° | 109.5° |
| C15 | C16 | C17 | 112.9° | 109.5° |
| C16 | C15 | C14 | 114.3° | 109.5° |
| C16 | C15 | H22 | 108.2° | 109.5° |
| C16 | C15 | H23 | 108.2° | 109.5° |
| C15 | C16 | H24 | 108.6° | 109.5° |
| C15 | C16 | H25 | 108.6° | 109.4° |
| C16 | C17 | C18 | 113.1° | 109.5° |
| C17 | C16 | H24 | 108.6° | 109.5° |
| C17 | C16 | H25 | 108.6° | 109.5° |
| C16 | C17 | H26 | 108.5° | 109.5° |
| C16 | C17 | H27 | 108.6° | 109.5° |
| C11 | C12 | C13 | 113.4° | 109.5° |
| C12 | C11 | H14 | 108.7° | 109.5° |
| C12 | C11 | H15 | 108.7° | 109.5° |
| C11 | C12 | H16 | 108.5° | 109.5° |
| C11 | C12 | H17 | 108.5° | 109.5° |
| C15 | C14 | C13 | 115.1° | 109.5° |
| C15 | C14 | H20 | 108.1° | 109.5° |
| C15 | C14 | H21 | 108.1° | 109.5° |
| C14 | C15 | H22 | 108.2° | 109.5° |
| C14 | C15 | H23 | 108.2° | 109.5° |
| C50 | C51 | C52 | 114.0° | 109.5° |
| C51 | C50 | H52 | 108.3° | 109.5° |
| C51 | C50 | H53 | 108.3° | 109.5° |
| C50 | C51 | H54 | 108.3° | 109.4° |
| C50 | C51 | H55 | 108.3° | 109.5° |
| C40 | C39 | C38 | 113.5° | 109.5° |
| C40 | C39 | H68 | 108.4° | 109.5° |
| C40 | C39 | H69 | 108.5° | 109.5° |
| C39 | C40 | H70 | 108.4° | 109.4° |
| C39 | C40 | H71 | 108.4° | 109.4° |
| C17 | C18 | O19 | 124.9° | 120.0° |
| C17 | C18 | O20 | 111.2° | 120.0° |
| C18 | C17 | H26 | 108.6° | 109.4° |
| C18 | C17 | H27 | 108.6° | 109.5° |
| C12 | C13 | C14 | 114.7° | 109.5° |
| C13 | C12 | H16 | 108.5° | 109.5° |
| C13 | C12 | H17 | 108.5° | 109.5° |
| C12 | C13 | H18 | 108.2° | 109.5° |
| C12 | C13 | H19 | 108.1° | 109.5° |
| C14 | C13 | H18 | 108.1° | 109.4° |
| C14 | C13 | H19 | 108.2° | 109.4° |
| C13 | C14 | H20 | 108.1° | 109.5° |
| C13 | C14 | H21 | 108.1° | 109.5° |
| C51 | C52 | C53 | 113.2° | 109.5° |
| C52 | C51 | H54 | 108.3° | 109.5° |
| C52 | C51 | H55 | 108.3° | 109.5° |
| C51 | C52 | H56 | 108.5° | 109.5° |
| C51 | C52 | H57 | 108.5° | 109.5° |
| C53 | C52 | H56 | 108.5° | 109.5° |
| C53 | C52 | H57 | 108.5° | 109.4° |
| C52 | C53 | H58 | 109.5° | 109.5° |
| C52 | C53 | H59 | 109.5° | 109.4° |
| C52 | C53 | H60 | 109.5° | 109.5° |
| C39 | C38 | C37 | 113.1° | 109.5° |
| C39 | C38 | H66 | 108.6° | 109.4° |
| C39 | C38 | H67 | 108.5° | 109.5° |
| C38 | C39 | H68 | 108.5° | 109.4° |
| C38 | C39 | H69 | 108.4° | 109.5° |
| O19 | C18 | O20 | 123.9° | 120.0° |
| C18 | O20 | C21 | 116.8° | 117.0° |
| O20 | C21 | C22 | 107.2° | 109.5° |
| O20 | C21 | H28 | 110.0° | 109.4° |
| O20 | C21 | H29 | 110.1° | 109.5° |
| C38 | C37 | C35 | 112.8° | 109.5° |
| C38 | C37 | H64 | 108.6° | 109.5° |
| C38 | C37 | H65 | 108.6° | 109.5° |
| C37 | C38 | H66 | 108.6° | 109.5° |
| C37 | C38 | H67 | 108.6° | 109.5° |
| C21 | C22 | O34 | 107.0° | 109.5° |
| C21 | C22 | C23 | 111.3° | 109.5° |
| C22 | C21 | H28 | 110.1° | 109.5° |
| C22 | C21 | H29 | 110.0° | 109.5° |
| C21 | C22 | H30 | 110.0° | 109.4° |
| C37 | C35 | O36 | 124.5° | 120.0° |
| C37 | C35 | O34 | 111.7° | 120.0° |
| C35 | C37 | H64 | 108.6° | 109.5° |
| C35 | C37 | H65 | 108.6° | 109.4° |
| O36 | C35 | O34 | 123.7° | 120.0° |
| C35 | O34 | C22 | 118.4° | 117.0° |
| O34 | C22 | C23 | 108.0° | 109.5° |
| O34 | C22 | H30 | 110.5° | 109.5° |
| C22 | C23 | O24 | 108.8° | 109.4° |
| C23 | C22 | H30 | 109.9° | 109.5° |
| C22 | C23 | H31 | 109.6° | 109.5° |
| C22 | C23 | H32 | 109.6° | 109.5° |
| C23 | O24 | P25 | 119.1° | 123.0° |
| O24 | C23 | H31 | 109.6° | 109.5° |
| O24 | C23 | H32 | 109.6° | 109.5° |
| O24 | P25 | O26 | 108.9° | 109.5° |
| O24 | P25 | O28 | 97.7° | 109.5° |
| O24 | P25 | O27 | 109.9° | 109.5° |
| O26 | P25 | O28 | 108.5° | 109.5° |
| O26 | P25 | O27 | 119.4° | 109.5° |
| O28 | P25 | O27 | 110.3° | 109.5° |
| P25 | O28 | C29 | 119.5° | 123.0° |
| P25 | O27 | H77 | 109.5° | 114.0° |
| O28 | C29 | C30 | 109.6° | 109.5° |
| O28 | C29 | H33 | 109.4° | 109.4° |
| O28 | C29 | H34 | 109.5° | 109.4° |
| O33 | C30 | C29 | 111.3° | 109.5° |
| O33 | C30 | C31 | 110.4° | 109.5° |
| O33 | C30 | H35 | 108.2° | 109.5° |
| C30 | O33 | H79 | 109.5° | 114.0° |
| C29 | C30 | C31 | 112.2° | 109.5° |
| C30 | C29 | H33 | 109.4° | 109.5° |
| C30 | C29 | H34 | 109.4° | 109.5° |
| C29 | C30 | H35 | 107.3° | 109.5° |
| C30 | C31 | O32 | 111.1° | 109.5° |
| C31 | C30 | H35 | 107.2° | 109.5° |
| C30 | C31 | H62 | 109.1° | 109.5° |
| C30 | C31 | H63 | 109.1° | 109.5° |
| O32 | C31 | H62 | 109.1° | 109.5° |
| O32 | C31 | H63 | 109.0° | 109.5° |
| C31 | O32 | H78 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H18 | C13 | H19 | 109.4° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.4° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.4° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.4° | 109.5° |
| H36 | C41 | H37 | 109.5° | 109.5° |
| H38 | C42 | H39 | 109.5° | 109.4° |
| H40 | C43 | H41 | 109.5° | 109.4° |
| H44 | C46 | H45 | 109.5° | 109.5° |
| H46 | C47 | H47 | 109.5° | 109.5° |
| H48 | C48 | H49 | 109.4° | 109.5° |
| H50 | C49 | H51 | 109.5° | 109.5° |
| H52 | C50 | H53 | 109.4° | 109.5° |
| H54 | C51 | H55 | 109.5° | 109.5° |
| H56 | C52 | H57 | 109.5° | 109.5° |
| H58 | C53 | H59 | 109.4° | 109.5° |
| H58 | C53 | H60 | 109.5° | 109.5° |
| H59 | C53 | H60 | 109.5° | 109.4° |
| H62 | C31 | H63 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H66 | C38 | H67 | 109.5° | 109.4° |
| H68 | C39 | H69 | 109.5° | 109.4° |
| H70 | C40 | H71 | 109.5° | 109.6° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H74 | C8 | H75 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.5° | 120.0° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 163.3° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.3° | 120.0° |
| C1 | C2 | C3 | H6 | 76.2° | 60.0° |
| C1 | C2 | C3 | H7 | 42.7° | 60.1° |
| C2 | C3 | C4 | H6 | 120.5° | 120.0° |
| C2 | C3 | C4 | H7 | 120.5° | 120.0° |
| C2 | C3 | C4 | C5 | 110.6° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 118.2° | 119.9° |
| C2 | C3 | H6 | H7 | 118.3° | 120.0° |
| C2 | C3 | C4 | H8 | 128.7° | 60.0° |
| C2 | C3 | C4 | H9 | 10.1° | 60.0° |
| C3 | C4 | C5 | H8 | 120.7° | 120.0° |
| C3 | C4 | C5 | H9 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 20.9° | 180.0° |
| C4 | C3 | C2 | H4 | 42.7° | 60.0° |
| C4 | C3 | C2 | H5 | 76.1° | 60.0° |
| C4 | C3 | H6 | H7 | 118.3° | 120.0° |
| C3 | C4 | H8 | H9 | 117.9° | 120.0° |
| C3 | C4 | C5 | H10 | 141.6° | 60.0° |
| C3 | C4 | C5 | H11 | 99.7° | 60.0° |
| C4 | C5 | C6 | H10 | 120.7° | 120.0° |
| C4 | C5 | C6 | H11 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 122.9° | NaN° |
| C5 | C4 | C3 | H6 | 9.9° | 60.0° |
| C5 | C4 | C3 | H7 | 128.8° | 60.0° |
| C5 | C4 | H8 | H9 | 117.9° | 120.1° |
| C4 | C5 | H10 | H11 | 118.0° | 120.1° |
| C4 | C5 | C6 | H12 | 116.5° | 60.0° |
| C4 | C5 | C6 | H13 | 2.4° | 59.9° |
| C5 | C6 | C7 | H12 | 120.5° | 120.0° |
| C5 | C6 | C7 | H13 | 120.5° | 120.1° |
| C5 | C6 | C7 | C8 | 64.2° | 180.0° |
| C6 | C5 | C4 | H8 | 99.7° | 60.0° |
| C6 | C5 | C4 | H9 | 141.6° | 60.0° |
| C6 | C5 | H10 | H11 | 118.0° | 119.9° |
| C5 | C6 | H12 | H13 | 118.3° | 119.9° |
| C5 | C6 | C7 | H72 | 56.4° | 60.0° |
| C5 | C6 | C7 | H73 | 175.2° | 60.0° |
| C6 | C7 | C8 | H72 | 120.6° | 120.0° |
| C6 | C7 | C8 | H73 | 120.6° | 120.0° |
| C6 | C7 | C8 | C9 | 125.5° | 180.0° |
| C7 | C6 | C5 | H10 | 2.3° | 60.0° |
| C7 | C6 | C5 | H11 | 116.5° | 60.0° |
| C7 | C6 | H12 | H13 | 118.3° | 120.0° |
| C6 | C7 | H72 | H73 | 118.1° | 120.1° |
| C6 | C7 | C8 | H74 | 113.9° | 60.0° |
| C6 | C7 | C8 | H75 | 5.0° | 60.0° |
| C46 | C45 | C44 | H43 | 180.0° | 179.9° |
| C45 | C46 | C47 | H44 | 120.4° | 120.0° |
| C45 | C46 | C47 | H45 | 120.4° | 120.0° |
| C46 | C45 | C44 | C43 | 0.7° | 7.6° |
| C45 | C46 | C47 | C48 | 168.0° | 180.0° |
| C46 | C45 | C44 | H42 | 179.3° | 172.4° |
| C45 | C46 | H44 | H45 | 118.7° | 120.0° |
| C45 | C46 | C47 | H46 | 47.4° | 60.0° |
| C45 | C46 | C47 | H47 | 71.3° | 60.1° |
| C44 | C45 | C46 | C47 | 123.3° | 127.6° |
| C45 | C44 | C43 | H42 | 180.0° | 179.9° |
| C45 | C44 | C43 | C42 | 174.2° | 126.3° |
| C45 | C44 | C43 | H40 | 53.7° | 6.3° |
| C45 | C44 | C43 | H41 | 65.2° | 113.7° |
| C44 | C45 | C46 | H44 | 116.3° | 112.4° |
| C44 | C45 | C46 | H45 | 2.9° | 7.6° |
| C46 | C47 | C48 | H46 | 120.7° | 120.0° |
| C46 | C47 | C48 | H47 | 120.7° | 120.0° |
| C46 | C47 | C48 | C49 | 125.7° | NaN° |
| C47 | C46 | C45 | H43 | 56.7° | 52.3° |
| C47 | C46 | H44 | H45 | 118.7° | 120.0° |
| C46 | C47 | H46 | H47 | 117.9° | 120.1° |
| C46 | C47 | C48 | H48 | 113.7° | 60.0° |
| C46 | C47 | C48 | H49 | 5.0° | 60.0° |
| C7 | C8 | C9 | H74 | 120.5° | 120.0° |
| C7 | C8 | C9 | H75 | 120.5° | 120.0° |
| C7 | C8 | C9 | C10 | 93.1° | 126.3° |
| C8 | C7 | C6 | H12 | 175.3° | 60.0° |
| C8 | C7 | C6 | H13 | 56.3° | 59.9° |
| C8 | C7 | H72 | H73 | 118.1° | 120.0° |
| C7 | C8 | H74 | H75 | 118.3° | 120.1° |
| C7 | C8 | C9 | H76 | 86.9° | 53.7° |
| C8 | C9 | C10 | H76 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 7.5° |
| C8 | C9 | C10 | H61 | 179.4° | 172.5° |
| C9 | C8 | C7 | H72 | 4.9° | 60.0° |
| C9 | C8 | C7 | H73 | 113.8° | 60.0° |
| C9 | C8 | H74 | H75 | 118.3° | 120.0° |
| C44 | C43 | C42 | H40 | 120.5° | 120.0° |
| C44 | C43 | C42 | H41 | 120.6° | 120.1° |
| C44 | C43 | C42 | C41 | 170.8° | 180.0° |
| C44 | C43 | C42 | H38 | 50.2° | 60.0° |
| C44 | C43 | C42 | H39 | 68.5° | 59.9° |
| C44 | C43 | H40 | H41 | 118.2° | 120.0° |
| C43 | C44 | C45 | H43 | 179.3° | 172.5° |
| C47 | C48 | C49 | H48 | 120.7° | 120.0° |
| C47 | C48 | C49 | H49 | 120.7° | 120.0° |
| C47 | C48 | C49 | C50 | 126.2° | 180.0° |
| C48 | C47 | C46 | H44 | 71.6° | 60.0° |
| C48 | C47 | C46 | H45 | 47.6° | 60.0° |
| C48 | C47 | H46 | H47 | 117.9° | 119.9° |
| C47 | C48 | H48 | H49 | 118.0° | 120.0° |
| C47 | C48 | C49 | H50 | 5.6° | 60.0° |
| C47 | C48 | C49 | H51 | 113.2° | 60.0° |
| C9 | C10 | C11 | H61 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 135.0° | 127.6° |
| C9 | C10 | C11 | H14 | 14.5° | 7.6° |
| C9 | C10 | C11 | H15 | 104.6° | 112.4° |
| C10 | C9 | C8 | H74 | 27.4° | 6.4° |
| C10 | C9 | C8 | H75 | 146.3° | 113.6° |
| C48 | C49 | C50 | H50 | 120.6° | 120.0° |
| C48 | C49 | C50 | H51 | 120.6° | 120.0° |
| C48 | C49 | C50 | C51 | 179.7° | 180.0° |
| C49 | C48 | C47 | H46 | 5.0° | 60.0° |
| C49 | C48 | C47 | H47 | 113.7° | 60.0° |
| C49 | C48 | H48 | H49 | 118.0° | 120.0° |
| C48 | C49 | H50 | H51 | 118.1° | 120.0° |
| C48 | C49 | C50 | H52 | 59.6° | 60.0° |
| C48 | C49 | C50 | H53 | 59.0° | 60.0° |
| C43 | C42 | C41 | H38 | 120.6° | 120.0° |
| C43 | C42 | C41 | H39 | 120.7° | 120.0° |
| C43 | C42 | C41 | C40 | 163.7° | 180.0° |
| C43 | C42 | C41 | H36 | 43.1° | 60.0° |
| C43 | C42 | C41 | H37 | 75.6° | 60.1° |
| C43 | C42 | H38 | H39 | 118.1° | 120.0° |
| C42 | C43 | H40 | H41 | 118.3° | 120.0° |
| C42 | C43 | C44 | H42 | 5.8° | 53.7° |
| C42 | C41 | C40 | H36 | 120.6° | 120.0° |
| C42 | C41 | C40 | H37 | 120.7° | 120.0° |
| C42 | C41 | C40 | C39 | 76.2° | 180.0° |
| C42 | C41 | H36 | H37 | 118.0° | 120.0° |
| C41 | C42 | H38 | H39 | 118.0° | 120.0° |
| C41 | C42 | C43 | H40 | 68.6° | 60.0° |
| C41 | C42 | C43 | H41 | 50.3° | 59.9° |
| C42 | C41 | C40 | H70 | 163.2° | 60.1° |
| C42 | C41 | C40 | H71 | 44.4° | 60.0° |
| C10 | C11 | C12 | H14 | 120.4° | 120.0° |
| C10 | C11 | C12 | H15 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 0.6° | 180.0° |
| C10 | C11 | H14 | H15 | 118.6° | 120.0° |
| C10 | C11 | C12 | H16 | 120.0° | 60.0° |
| C10 | C11 | C12 | H17 | 121.1° | 60.0° |
| C11 | C10 | C9 | H76 | 179.5° | 172.4° |
| C49 | C50 | C51 | H52 | 120.7° | 120.0° |
| C49 | C50 | C51 | H53 | 120.7° | 120.0° |
| C49 | C50 | C51 | C52 | 44.7° | 180.0° |
| C50 | C49 | C48 | H48 | 113.1° | 60.0° |
| C50 | C49 | C48 | H49 | 5.6° | 60.0° |
| C50 | C49 | H50 | H51 | 118.0° | 120.0° |
| C49 | C50 | H52 | H53 | 117.9° | 119.9° |
| C49 | C50 | C51 | H54 | 165.4° | 60.0° |
| C49 | C50 | C51 | H55 | 75.9° | 60.0° |
| C41 | C40 | C39 | H70 | 120.6° | 120.0° |
| C41 | C40 | C39 | H71 | 120.6° | 120.0° |
| C41 | C40 | C39 | C38 | 95.1° | 180.0° |
| C40 | C41 | H36 | H37 | 117.9° | 120.0° |
| C40 | C41 | C42 | H38 | 75.7° | 60.0° |
| C40 | C41 | C42 | H39 | 43.1° | 60.0° |
| C41 | C40 | C39 | H68 | 144.3° | 60.0° |
| C41 | C40 | C39 | H69 | 25.5° | 60.0° |
| C41 | C40 | H70 | H71 | 118.1° | 120.1° |
| C15 | C16 | C17 | H24 | 120.5° | 120.0° |
| C15 | C16 | C17 | H25 | 120.5° | 120.0° |
| C16 | C15 | C14 | H22 | 120.7° | 120.0° |
| C16 | C15 | C14 | H23 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 97.0° | 179.9° |
| C16 | C15 | C14 | C13 | 97.6° | 180.0° |
| C16 | C15 | C14 | H20 | 141.6° | 60.0° |
| C16 | C15 | C14 | H21 | 23.2° | 60.0° |
| C16 | C15 | H22 | H23 | 117.8° | 120.0° |
| C15 | C16 | H24 | H25 | 118.4° | 119.9° |
| C15 | C16 | C17 | H26 | 23.6° | 60.0° |
| C15 | C16 | C17 | H27 | 142.5° | 60.0° |
| C17 | C16 | C15 | C14 | 75.6° | 180.0° |
| C16 | C17 | C18 | H26 | 120.5° | 120.0° |
| C16 | C17 | C18 | H27 | 120.6° | 120.1° |
| C16 | C17 | C18 | O19 | 7.0° | 0.1° |
| C16 | C17 | C18 | O20 | 172.6° | 180.0° |
| C17 | C16 | C15 | H22 | 163.6° | 60.0° |
| C17 | C16 | C15 | H23 | 45.0° | 60.0° |
| C17 | C16 | H24 | H25 | 118.4° | 120.0° |
| C16 | C17 | H26 | H27 | 118.4° | 120.0° |
| C11 | C12 | C13 | H16 | 120.6° | 120.0° |
| C11 | C12 | C13 | H17 | 120.6° | 120.1° |
| C11 | C12 | C13 | C14 | 113.6° | 180.0° |
| C12 | C11 | H14 | H15 | 118.7° | 120.0° |
| C11 | C12 | H16 | H17 | 118.2° | 120.0° |
| C11 | C12 | C13 | H18 | 125.6° | 60.1° |
| C11 | C12 | C13 | H19 | 7.2° | 60.0° |
| C12 | C11 | C10 | H61 | 45.1° | 52.4° |
| C15 | C14 | C13 | C12 | 73.8° | 180.0° |
| C15 | C14 | C13 | H20 | 120.8° | 120.0° |
| C15 | C14 | C13 | H21 | 120.8° | 120.0° |
| C15 | C14 | C13 | H18 | 165.4° | 60.0° |
| C15 | C14 | C13 | H19 | 47.0° | 60.0° |
| C15 | C14 | H20 | H21 | 117.5° | 120.0° |
| C14 | C15 | H22 | H23 | 117.8° | 120.0° |
| C14 | C15 | C16 | H24 | 163.8° | 60.0° |
| C14 | C15 | C16 | H25 | 44.9° | 60.0° |
| C50 | C51 | C52 | H54 | 120.7° | 120.0° |
| C50 | C51 | C52 | H55 | 120.7° | 120.0° |
| C50 | C51 | C52 | C53 | 106.6° | 180.0° |
| C51 | C50 | C49 | H50 | 59.0° | 60.0° |
| C51 | C50 | C49 | H51 | 59.7° | 60.0° |
| C51 | C50 | H52 | H53 | 117.9° | 120.1° |
| C50 | C51 | H54 | H55 | 118.0° | 120.0° |
| C50 | C51 | C52 | H56 | 132.9° | 60.0° |
| C50 | C51 | C52 | H57 | 14.0° | 60.0° |
| C40 | C39 | C38 | H68 | 120.6° | 120.0° |
| C40 | C39 | C38 | H69 | 120.6° | 120.1° |
| C40 | C39 | C38 | C37 | 175.7° | 180.0° |
| C39 | C40 | C41 | H36 | 44.4° | 60.0° |
| C39 | C40 | C41 | H37 | 163.1° | 60.0° |
| C40 | C39 | C38 | H66 | 55.2° | 60.0° |
| C40 | C39 | C38 | H67 | 63.7° | 59.9° |
| C40 | C39 | H68 | H69 | 118.1° | 120.0° |
| C39 | C40 | H70 | H71 | 118.1° | 119.9° |
| C17 | C18 | O19 | O20 | 179.5° | 179.9° |
| C17 | C18 | O20 | C21 | 179.2° | 179.9° |
| C18 | C17 | C16 | H24 | 142.5° | 60.0° |
| C18 | C17 | C16 | H25 | 23.6° | 60.0° |
| C18 | C17 | H26 | H27 | 118.4° | 120.0° |
| C12 | C13 | C14 | H18 | 120.8° | 120.0° |
| C12 | C13 | C14 | H19 | 120.8° | 120.0° |
| C13 | C12 | C11 | H14 | 121.0° | 59.9° |
| C13 | C12 | C11 | H15 | 119.9° | 60.0° |
| C13 | C12 | H16 | H17 | 118.2° | 120.0° |
| C12 | C13 | H18 | H19 | 117.6° | 120.1° |
| C12 | C13 | C14 | H20 | 165.4° | 60.0° |
| C12 | C13 | C14 | H21 | 47.1° | 59.9° |
| C14 | C13 | C12 | H16 | 7.0° | 60.0° |
| C14 | C13 | C12 | H17 | 125.8° | 59.9° |
| C14 | C13 | H18 | H19 | 117.6° | 120.0° |
| C13 | C14 | H20 | H21 | 117.4° | 120.0° |
| C13 | C14 | C15 | H22 | 23.1° | 60.0° |
| C13 | C14 | C15 | H23 | 141.7° | 59.9° |
| C51 | C52 | C53 | H56 | 120.5° | 120.0° |
| C51 | C52 | C53 | H57 | 120.6° | 120.0° |
| C52 | C51 | C50 | H52 | 76.0° | 60.0° |
| C52 | C51 | C50 | H53 | 165.4° | 60.0° |
| C52 | C51 | H54 | H55 | 117.9° | 120.0° |
| C51 | C52 | H56 | H57 | 118.3° | 120.0° |
| C51 | C52 | C53 | H58 | 180.0° | 60.0° |
| C51 | C52 | C53 | H59 | 60.0° | 60.0° |
| C51 | C52 | C53 | H60 | 60.0° | 179.9° |
| C53 | C52 | C51 | H54 | 14.1° | 60.0° |
| C53 | C52 | C51 | H55 | 132.8° | 60.0° |
| C53 | C52 | H56 | H57 | 118.3° | 120.0° |
| C52 | C53 | H58 | H59 | 120.0° | 120.0° |
| C52 | C53 | H58 | H60 | 120.0° | 120.0° |
| C52 | C53 | H59 | H60 | 120.0° | 120.0° |
| C39 | C38 | C37 | H66 | 120.5° | 120.0° |
| C39 | C38 | C37 | H67 | 120.5° | 120.0° |
| C39 | C38 | C37 | C35 | 83.2° | 179.9° |
| C39 | C38 | C37 | H64 | 37.3° | 60.1° |
| C39 | C38 | C37 | H65 | 156.3° | 60.0° |
| C39 | C38 | H66 | H67 | 118.3° | 120.0° |
| C38 | C39 | H68 | H69 | 118.2° | 120.0° |
| C38 | C39 | C40 | H70 | 25.5° | 60.0° |
| C38 | C39 | C40 | H71 | 144.3° | 60.1° |
| O19 | C18 | O20 | C21 | 1.2° | 0.0° |
| O19 | C18 | C17 | H26 | 113.5° | 120.1° |
| O19 | C18 | C17 | H27 | 127.5° | 120.0° |
| C18 | O20 | C21 | C22 | 106.0° | 180.0° |
| O20 | C18 | C17 | H26 | 66.9° | 60.0° |
| O20 | C18 | C17 | H27 | 52.0° | 59.9° |
| C18 | O20 | C21 | H28 | 134.3° | 60.0° |
| C18 | O20 | C21 | H29 | 13.6° | 60.0° |
| O20 | C21 | C22 | H28 | 119.6° | 120.0° |
| O20 | C21 | C22 | H29 | 119.6° | 120.0° |
| O20 | C21 | C22 | O34 | 96.3° | 65.0° |
| O20 | C21 | C22 | C23 | 145.9° | 55.1° |
| O20 | C21 | H28 | H29 | 121.1° | 120.0° |
| O20 | C21 | C22 | H30 | 23.8° | 175.0° |
| C38 | C37 | C35 | H64 | 120.5° | 120.0° |
| C38 | C37 | C35 | H65 | 120.5° | 120.0° |
| C38 | C37 | C35 | O36 | 35.6° | 0.0° |
| C38 | C37 | C35 | O34 | 144.3° | 180.0° |
| C38 | C37 | H64 | H65 | 118.5° | 120.0° |
| C37 | C38 | H66 | H67 | 118.4° | 120.0° |
| C37 | C38 | C39 | H68 | 63.7° | 60.0° |
| C37 | C38 | C39 | H69 | 55.1° | 59.9° |
| C21 | C22 | O34 | C35 | 114.9° | 150.0° |
| C21 | C22 | O34 | C23 | 120.0° | 120.0° |
| C21 | C22 | O34 | H30 | 119.8° | 120.0° |
| C21 | C22 | C23 | H30 | 122.2° | 120.0° |
| C21 | C22 | C23 | O24 | 79.0° | 55.0° |
| C22 | C21 | H28 | H29 | 121.1° | 120.0° |
| C21 | C22 | C23 | H31 | 40.9° | 65.0° |
| C21 | C22 | C23 | H32 | 161.1° | 175.0° |
| C37 | C35 | O36 | O34 | 179.9° | 180.0° |
| C37 | C35 | O34 | C22 | 0.3° | 180.0° |
| C35 | C37 | H64 | H65 | 118.5° | 120.0° |
| C35 | C37 | C38 | H66 | 156.3° | 60.0° |
| C35 | C37 | C38 | H67 | 37.3° | 60.0° |
| O36 | C35 | O34 | C22 | 179.8° | 0.0° |
| O36 | C35 | C37 | H64 | 156.1° | 120.0° |
| O36 | C35 | C37 | H65 | 84.9° | 120.0° |
| C35 | O34 | C22 | C23 | 125.1° | 90.0° |
| C35 | O34 | C22 | H30 | 4.9° | 30.0° |
| O34 | C35 | C37 | H64 | 23.8° | 60.0° |
| O34 | C35 | C37 | H65 | 95.3° | 60.0° |
| O34 | C22 | C23 | H30 | 120.7° | 120.0° |
| O34 | C22 | C23 | O24 | 38.2° | 65.0° |
| O34 | C22 | C21 | H28 | 23.3° | 55.0° |
| O34 | C22 | C21 | H29 | 144.0° | 175.0° |
| O34 | C22 | C23 | H31 | 158.1° | 175.0° |
| O34 | C22 | C23 | H32 | 81.7° | 54.9° |
| C22 | C23 | O24 | H31 | 119.9° | 120.0° |
| C22 | C23 | O24 | H32 | 119.9° | 120.0° |
| C22 | C23 | O24 | P25 | 118.5° | 180.0° |
| C23 | C22 | C21 | H28 | 94.5° | 175.0° |
| C23 | C22 | C21 | H29 | 26.3° | 65.0° |
| C22 | C23 | H31 | H32 | 120.3° | 120.0° |
| C23 | O24 | P25 | O26 | 81.5° | 55.0° |
| C23 | O24 | P25 | O28 | 31.2° | 175.0° |
| C23 | O24 | P25 | O27 | 146.0° | 65.0° |
| O24 | C23 | C22 | H30 | 158.9° | 175.0° |
| O24 | C23 | H31 | H32 | 120.3° | 120.0° |
| O24 | P25 | O26 | O28 | 105.3° | 120.0° |
| O24 | P25 | O26 | O27 | 127.3° | 120.0° |
| O24 | P25 | O28 | O27 | 114.6° | 120.0° |
| O24 | P25 | O28 | C29 | 139.0° | 175.0° |
| P25 | O24 | C23 | H31 | 121.6° | 60.0° |
| P25 | O24 | C23 | H32 | 1.4° | 60.0° |
| O24 | P25 | O27 | H77 | 126.8° | 60.0° |
| O26 | P25 | O28 | O27 | 132.5° | 120.0° |
| O26 | P25 | O28 | C29 | 108.1° | 55.0° |
| O26 | P25 | O27 | H77 | 0.0° | 180.0° |
| P25 | O28 | C29 | C30 | 101.7° | 180.0° |
| P25 | O28 | C29 | H33 | 138.3° | 60.0° |
| P25 | O28 | C29 | H34 | 18.4° | 60.0° |
| O28 | P25 | O27 | H77 | 126.6° | 59.9° |
| O27 | P25 | O28 | C29 | 24.4° | 65.0° |
| O28 | C29 | C30 | O33 | 2.6° | 65.0° |
| O28 | C29 | C30 | H33 | 120.0° | 120.0° |
| O28 | C29 | C30 | H34 | 120.0° | 119.9° |
| O28 | C29 | C30 | C31 | 121.6° | 175.0° |
| O28 | C29 | H33 | H34 | 119.9° | 119.9° |
| O28 | C29 | C30 | H35 | 120.8° | 55.0° |
| O33 | C30 | C29 | C31 | 124.3° | 120.0° |
| O33 | C30 | C29 | H35 | 118.2° | 120.0° |
| O33 | C30 | C31 | H35 | 117.7° | 120.0° |
| O33 | C30 | C31 | O32 | 80.5° | 65.0° |
| O33 | C30 | C29 | H33 | 117.4° | 55.0° |
| O33 | C30 | C29 | H34 | 122.7° | 175.0° |
| O33 | C30 | C31 | H62 | 159.2° | 175.0° |
| O33 | C30 | C31 | H63 | 39.7° | 55.0° |
| C29 | C30 | C31 | H35 | 117.6° | 120.1° |
| C29 | C30 | C31 | O32 | 154.7° | 175.0° |
| C30 | C29 | H33 | H34 | 119.9° | 120.1° |
| C29 | C30 | C31 | H62 | 34.5° | 55.0° |
| C29 | C30 | C31 | H63 | 85.1° | 65.0° |
| C29 | C30 | O33 | H79 | 180.0° | 60.0° |
| C30 | C31 | O32 | H62 | 120.2° | 120.0° |
| C30 | C31 | O32 | H63 | 120.2° | 120.0° |
| C31 | C30 | C29 | H33 | 118.3° | 65.0° |
| C31 | C30 | C29 | H34 | 1.6° | 55.1° |
| C30 | C31 | H62 | H63 | 119.3° | 120.0° |
| C30 | C31 | O32 | H78 | 180.0° | 180.0° |
| C31 | C30 | O33 | H79 | 54.7° | 60.0° |
| O32 | C31 | C30 | H35 | 37.2° | 55.0° |
| O32 | C31 | H62 | H63 | 119.2° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.4° | 60.1° |
| H1 | C1 | C2 | H5 | 59.4° | 180.0° |
| H2 | C1 | C2 | H4 | 60.6° | 180.0° |
| H2 | C1 | C2 | H5 | 179.4° | 60.0° |
| H3 | C1 | C2 | H4 | 179.4° | 59.9° |
| H3 | C1 | C2 | H5 | 60.6° | 60.0° |
| H4 | C2 | C3 | H6 | 163.3° | 179.9° |
| H4 | C2 | C3 | H7 | 77.8° | 60.0° |
| H5 | C2 | C3 | H6 | 44.4° | 60.0° |
| H5 | C2 | C3 | H7 | 163.3° | 179.9° |
| H6 | C3 | C4 | H8 | 110.8° | 180.0° |
| H6 | C3 | C4 | H9 | 130.6° | 60.0° |
| H7 | C3 | C4 | H8 | 8.1° | 60.0° |
| H7 | C3 | C4 | H9 | 110.5° | 179.9° |
| H8 | C4 | C5 | H10 | 20.9° | NaN° |
| H8 | C4 | C5 | H11 | 139.6° | 60.0° |
| H9 | C4 | C5 | H10 | 97.7° | 60.0° |
| H9 | C4 | C5 | H11 | 21.0° | 180.0° |
| H10 | C5 | C6 | H12 | 122.8° | 180.0° |
| H10 | C5 | C6 | H13 | 118.3° | 60.1° |
| H11 | C5 | C6 | H12 | 4.1° | 60.1° |
| H11 | C5 | C6 | H13 | 123.0° | 180.0° |
| H12 | C6 | C7 | H72 | 64.1° | 179.9° |
| H12 | C6 | C7 | H73 | 54.6° | 60.0° |
| H13 | C6 | C7 | H72 | 176.9° | 60.0° |
| H13 | C6 | C7 | H73 | 64.3° | 179.9° |
| H14 | C11 | C12 | H16 | 0.4° | 60.0° |
| H14 | C11 | C12 | H17 | 118.5° | 180.0° |
| H14 | C11 | C10 | H61 | 165.5° | 172.4° |
| H15 | C11 | C12 | H16 | 119.6° | NaN° |
| H15 | C11 | C12 | H17 | 0.7° | 60.0° |
| H15 | C11 | C10 | H61 | 75.3° | 67.6° |
| H16 | C12 | C13 | H18 | 113.8° | 180.0° |
| H16 | C12 | C13 | H19 | 127.8° | 60.0° |
| H17 | C12 | C13 | H18 | 5.1° | 60.0° |
| H17 | C12 | C13 | H19 | 113.4° | 179.9° |
| H18 | C13 | C14 | H20 | 44.6° | 180.0° |
| H18 | C13 | C14 | H21 | 73.7° | 60.0° |
| H19 | C13 | C14 | H20 | 73.8° | 60.0° |
| H19 | C13 | C14 | H21 | 167.8° | 179.9° |
| H20 | C14 | C15 | H22 | 97.7° | 180.0° |
| H20 | C14 | C15 | H23 | 20.9° | 60.0° |
| H21 | C14 | C15 | H22 | 143.9° | 60.0° |
| H21 | C14 | C15 | H23 | 97.5° | 180.0° |
| H22 | C15 | C16 | H24 | 43.1° | 180.0° |
| H22 | C15 | C16 | H25 | 75.8° | 60.1° |
| H23 | C15 | C16 | H24 | 75.5° | 60.1° |
| H23 | C15 | C16 | H25 | 165.6° | 180.0° |
| H24 | C16 | C17 | H26 | 97.0° | 180.0° |
| H24 | C16 | C17 | H27 | 22.0° | 60.0° |
| H25 | C16 | C17 | H26 | 144.1° | 60.0° |
| H25 | C16 | C17 | H27 | 97.0° | 180.0° |
| H28 | C21 | C22 | H30 | 143.4° | 65.0° |
| H29 | C21 | C22 | H30 | 95.8° | 55.0° |
| H30 | C22 | C23 | H31 | 81.2° | 55.0° |
| H30 | C22 | C23 | H32 | 39.0° | 65.0° |
| H33 | C29 | C30 | H35 | 0.8° | 175.0° |
| H34 | C29 | C30 | H35 | 119.1° | 65.0° |
| H35 | C30 | C31 | H62 | 83.1° | 65.1° |
| H35 | C30 | C31 | H63 | 157.4° | 175.0° |
| H35 | C30 | O33 | H79 | 62.4° | 180.0° |
| H36 | C41 | C42 | H38 | 163.7° | 60.0° |
| H36 | C41 | C42 | H39 | 77.5° | 180.0° |
| H36 | C41 | C40 | H70 | 76.2° | 179.9° |
| H36 | C41 | C40 | H71 | 165.0° | 60.0° |
| H37 | C41 | C42 | H38 | 45.0° | 180.0° |
| H37 | C41 | C42 | H39 | 163.7° | 60.0° |
| H37 | C41 | C40 | H70 | 42.5° | 59.9° |
| H37 | C41 | C40 | H71 | 76.3° | 180.0° |
| H38 | C42 | C43 | H40 | 170.8° | NaN° |
| H38 | C42 | C43 | H41 | 70.4° | 60.1° |
| H39 | C42 | C43 | H40 | 52.0° | 60.1° |
| H39 | C42 | C43 | H41 | 170.9° | 180.0° |
| H40 | C43 | C44 | H42 | 126.3° | 173.7° |
| H41 | C43 | C44 | H42 | 114.8° | 66.4° |
| H42 | C44 | C45 | H43 | 0.7° | 7.4° |
| H43 | C45 | C46 | H44 | 63.7° | 67.7° |
| H43 | C45 | C46 | H45 | 177.1° | 172.3° |
| H44 | C46 | C47 | H46 | 167.7° | 180.0° |
| H44 | C46 | C47 | H47 | 49.1° | 59.9° |
| H45 | C46 | C47 | H46 | 73.1° | 60.0° |
| H45 | C46 | C47 | H47 | 168.3° | 179.9° |
| H46 | C47 | C48 | H48 | 125.7° | NaN° |
| H46 | C47 | C48 | H49 | 115.7° | 60.0° |
| H47 | C47 | C48 | H48 | 7.0° | 60.0° |
| H47 | C47 | C48 | H49 | 125.6° | 180.0° |
| H48 | C48 | C49 | H50 | 126.3° | 180.0° |
| H48 | C48 | C49 | H51 | 7.5° | 60.0° |
| H49 | C48 | C49 | H50 | 115.1° | 60.0° |
| H49 | C48 | C49 | H51 | 126.2° | NaN° |
| H50 | C49 | C50 | H52 | 179.7° | NaN° |
| H50 | C49 | C50 | H53 | 61.7° | 60.0° |
| H51 | C49 | C50 | H52 | 61.0° | 60.0° |
| H51 | C49 | C50 | H53 | 179.6° | 180.0° |
| H52 | C50 | C51 | H54 | 44.7° | 180.0° |
| H52 | C50 | C51 | H55 | 163.4° | 60.0° |
| H53 | C50 | C51 | H54 | 74.0° | 60.0° |
| H53 | C50 | C51 | H55 | 44.7° | 180.0° |
| H54 | C51 | C52 | H56 | 106.5° | 180.0° |
| H54 | C51 | C52 | H57 | 134.6° | 60.0° |
| H55 | C51 | C52 | H56 | 12.2° | 60.0° |
| H55 | C51 | C52 | H57 | 106.7° | 180.0° |
| H56 | C52 | C53 | H58 | 59.5° | 180.0° |
| H56 | C52 | C53 | H59 | 179.5° | 60.0° |
| H56 | C52 | C53 | H60 | 60.5° | 59.9° |
| H57 | C52 | C53 | H58 | 59.4° | 60.0° |
| H57 | C52 | C53 | H59 | 60.5° | 180.0° |
| H57 | C52 | C53 | H60 | 179.5° | 60.1° |
| H58 | C53 | H59 | H60 | 120.0° | 120.1° |
| H61 | C10 | C9 | H76 | 0.6° | 7.5° |
| H62 | C31 | O32 | H78 | 59.7° | 60.0° |
| H63 | C31 | O32 | H78 | 59.8° | 60.0° |
| H64 | C37 | C38 | H66 | 83.3° | 180.0° |
| H64 | C37 | C38 | H67 | 157.8° | 60.0° |
| H65 | C37 | C38 | H66 | 35.8° | 60.0° |
| H65 | C37 | C38 | H67 | 83.2° | 179.9° |
| H66 | C38 | C39 | H68 | 175.7° | 180.0° |
| H66 | C38 | C39 | H69 | 65.5° | 60.1° |
| H67 | C38 | C39 | H68 | 56.8° | 60.1° |
| H67 | C38 | C39 | H69 | 175.6° | 180.0° |
| H68 | C39 | C40 | H70 | 95.1° | 60.0° |
| H68 | C39 | C40 | H71 | 23.7° | 180.0° |
| H69 | C39 | C40 | H70 | 146.1° | 180.0° |
| H69 | C39 | C40 | H71 | 95.1° | 60.0° |
| H72 | C7 | C8 | H74 | 125.5° | 180.0° |
| H72 | C7 | C8 | H75 | 115.6° | 60.0° |
| H73 | C7 | C8 | H74 | 6.7° | 60.0° |
| H73 | C7 | C8 | H75 | 125.6° | 180.0° |
| H74 | C8 | C9 | H76 | 152.6° | 173.7° |
| H75 | C8 | C9 | H76 | 33.7° | 66.3° |
