VEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.31Å | 1.31Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C55 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.56Å | 1.55Å | |
| C09 | C08 | sing | 1.55Å | 1.58Å | |
| C10 | C11 | sing | 1.54Å | 1.57Å | |
| C05 | C06 | sing | 1.53Å | 1.60Å | |
| C06 | C08 | sing | 1.53Å | 1.60Å | |
| C06 | O43 | sing | 1.43Å | 1.42Å | |
| O54 | C45 | sing | 1.43Å | 1.35Å | |
| C08 | C12 | sing | 1.53Å | 1.60Å | |
| C44 | O49 | sing | 1.43Å | 1.38Å | |
| C44 | O43 | sing | 1.43Å | 1.39Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| O49 | C48 | sing | 1.43Å | 1.42Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| C11 | C42 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.55Å | 1.59Å | |
| C11 | C16 | sing | 1.52Å | 1.62Å | |
| C12 | C13 | sing | 1.51Å | 1.62Å | |
| C48 | C47 | sing | 1.53Å | 1.57Å | |
| C48 | C50 | sing | 1.53Å | 1.57Å | |
| C40 | C16 | sing | 1.54Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.54Å | 1.58Å | |
| C16 | C15 | sing | 1.53Å | 1.65Å | |
| C46 | C47 | sing | 1.53Å | 1.57Å | |
| C46 | O53 | sing | 1.43Å | 1.34Å | |
| O52 | C47 | sing | 1.43Å | 1.34Å | |
| C50 | O51 | sing | 1.43Å | 1.35Å | |
| C13 | O41 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.54Å | 1.60Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C15 | C14 | sing | 1.52Å | 1.55Å | |
| C15 | C20 | sing | 1.53Å | 1.64Å | |
| C19 | C20 | sing | 1.52Å | 1.59Å | |
| C19 | C24 | sing | 1.51Å | 1.67Å | |
| C20 | C39 | sing | 1.52Å | 1.54Å | |
| C20 | C21 | sing | 1.54Å | 1.55Å | |
| C26 | C24 | sing | 1.55Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.62Å | |
| C21 | C22 | sing | 1.52Å | 1.55Å | |
| C23 | C22 | sing | 1.52Å | 1.53Å | |
| C23 | O27 | sing | 1.43Å | 1.44Å | |
| O27 | C28 | sing | 1.43Å | 1.40Å | |
| C28 | O33 | sing | 1.43Å | 1.42Å | |
| C28 | C29 | sing | 1.53Å | 1.57Å | |
| O38 | C29 | sing | 1.43Å | 1.36Å | |
| O33 | C32 | sing | 1.43Å | 1.42Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C32 | C34 | sing | 1.53Å | 1.58Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | O37 | sing | 1.43Å | 1.36Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| O35 | C34 | sing | 1.43Å | 1.37Å | |
| C31 | O36 | sing | 1.43Å | 1.35Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.08Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.11Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.10Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.08Å | 1.08Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.10Å | 1.10Å | |
| C14 | H30 | sing | 1.08Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.08Å | 1.10Å | |
| C19 | H34 | sing | 1.12Å | 1.10Å | |
| C23 | H35 | sing | 1.10Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C50 | H59 | sing | 1.09Å | 1.10Å | |
| C50 | H60 | sing | 1.09Å | 1.10Å | |
| C55 | H61 | sing | 1.09Å | 1.10Å | |
| C55 | H62 | sing | 1.09Å | 1.10Å | |
| C55 | H63 | sing | 1.09Å | 1.10Å | |
| O35 | H64 | sing | 0.97Å | 0.95Å | |
| O36 | H65 | sing | 0.97Å | 0.95Å | |
| O37 | H66 | sing | 0.97Å | 0.95Å | |
| O38 | H67 | sing | 0.97Å | 0.95Å | |
| O41 | H68 | sing | 0.97Å | 0.95Å | |
| O51 | H69 | sing | 0.97Å | 0.95Å | |
| O52 | H70 | sing | 0.97Å | 0.95Å | |
| O53 | H71 | sing | 0.97Å | 0.95Å | |
| O54 | H72 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 112.8° | 109.5° |
| C07 | C06 | C08 | 102.0° | 109.5° |
| C07 | C06 | O43 | 113.7° | 109.5° |
| C06 | C07 | H23 | 109.5° | 109.5° |
| C06 | C07 | H24 | 109.5° | 109.5° |
| C06 | C07 | H25 | 109.5° | 109.5° |
| C04 | C03 | C02 | 129.0° | 120.0° |
| C03 | C04 | C05 | 123.1° | 109.5° |
| C04 | C03 | H18 | 115.5° | 119.9° |
| C03 | C04 | H19 | 106.0° | 109.5° |
| C03 | C04 | H20 | 106.0° | 109.5° |
| C03 | C02 | C01 | 125.7° | 120.0° |
| C03 | C02 | C55 | 120.4° | 120.0° |
| C02 | C03 | H18 | 115.5° | 120.1° |
| C04 | C05 | C06 | 118.5° | 109.4° |
| C05 | C04 | H19 | 106.0° | 109.4° |
| C05 | C04 | H20 | 106.0° | 109.5° |
| C04 | C05 | H21 | 107.1° | 109.4° |
| C04 | C05 | H22 | 107.2° | 109.5° |
| C01 | C02 | C55 | 113.9° | 120.0° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.4° |
| C02 | C01 | H17 | 109.4° | 109.4° |
| C02 | C55 | H61 | 109.5° | 109.5° |
| C02 | C55 | H62 | 109.4° | 109.5° |
| C02 | C55 | H63 | 109.5° | 109.5° |
| C10 | C09 | C08 | 106.6° | 106.1° |
| C09 | C10 | C11 | 104.9° | 102.1° |
| C09 | C10 | H1 | 110.6° | 110.4° |
| C09 | C10 | H2 | 110.6° | 110.3° |
| C10 | C09 | H27 | 110.2° | 109.7° |
| C10 | C09 | H28 | 110.2° | 110.4° |
| C09 | C08 | C06 | 109.1° | 109.9° |
| C09 | C08 | C12 | 105.2° | 104.8° |
| C09 | C08 | H26 | 110.9° | 110.9° |
| C08 | C09 | H27 | 110.2° | 109.9° |
| C08 | C09 | H28 | 110.2° | 110.5° |
| C10 | C11 | C42 | 104.9° | 108.1° |
| C10 | C11 | C12 | 101.3° | 100.6° |
| C10 | C11 | C16 | 121.5° | 116.3° |
| C11 | C10 | H1 | 110.6° | 110.2° |
| C11 | C10 | H2 | 110.6° | 112.5° |
| C05 | C06 | C08 | 109.4° | 109.5° |
| C05 | C06 | O43 | 111.4° | 109.5° |
| C06 | C05 | H21 | 107.2° | 109.5° |
| C06 | C05 | H22 | 107.1° | 109.5° |
| C08 | C06 | O43 | 107.0° | 109.5° |
| C06 | C08 | C12 | 110.3° | 110.1° |
| C06 | C08 | H26 | 110.6° | 110.4° |
| C06 | O43 | C44 | 124.8° | 114.0° |
| O54 | C45 | C44 | 111.6° | 109.5° |
| O54 | C45 | C46 | 115.5° | 109.5° |
| O54 | C45 | H55 | 109.3° | 109.6° |
| C45 | O54 | H72 | 109.5° | 114.0° |
| C08 | C12 | C11 | 102.9° | 102.5° |
| C08 | C12 | C13 | 122.2° | 117.1° |
| C12 | C08 | H26 | 110.6° | 110.7° |
| C08 | C12 | H29 | 106.8° | 107.0° |
| O49 | C44 | O43 | 111.4° | 109.5° |
| O49 | C44 | C45 | 110.1° | 109.4° |
| C44 | O49 | C48 | 123.7° | 114.1° |
| O49 | C44 | H54 | 106.3° | 109.5° |
| O43 | C44 | C45 | 117.4° | 109.5° |
| O43 | C44 | H54 | 106.2° | 109.5° |
| C44 | C45 | C46 | 106.5° | 109.2° |
| C45 | C44 | H54 | 104.5° | 109.5° |
| C44 | C45 | H55 | 106.8° | 109.5° |
| O49 | C48 | C47 | 113.6° | 109.4° |
| O49 | C48 | C50 | 113.2° | 109.5° |
| O49 | C48 | H58 | 105.6° | 109.5° |
| C45 | C46 | C47 | 110.4° | 109.0° |
| C45 | C46 | O53 | 110.5° | 109.6° |
| C46 | C45 | H55 | 106.7° | 109.6° |
| C45 | C46 | H56 | 105.9° | 109.6° |
| C42 | C11 | C12 | 109.4° | 110.8° |
| C42 | C11 | C16 | 109.1° | 111.5° |
| C11 | C42 | H51 | 109.5° | 109.5° |
| C11 | C42 | H52 | 109.5° | 109.4° |
| C11 | C42 | H53 | 109.5° | 109.5° |
| C12 | C11 | C16 | 109.9° | 109.0° |
| C11 | C12 | C13 | 110.6° | 110.2° |
| C11 | C12 | H29 | 106.9° | 110.9° |
| C11 | C16 | C40 | 105.8° | 108.1° |
| C11 | C16 | C17 | 112.2° | 110.6° |
| C11 | C16 | C15 | 106.4° | 107.4° |
| C12 | C13 | O41 | 108.9° | 109.9° |
| C12 | C13 | C14 | 111.3° | 107.9° |
| C12 | C13 | H3 | 109.4° | 111.5° |
| C13 | C12 | H29 | 106.6° | 108.9° |
| C47 | C48 | C50 | 114.7° | 109.5° |
| C48 | C47 | C46 | 110.3° | 109.1° |
| C48 | C47 | O52 | 112.2° | 109.6° |
| C48 | C47 | H57 | 106.8° | 109.6° |
| C47 | C48 | H58 | 104.1° | 109.5° |
| C48 | C50 | O51 | 114.5° | 109.5° |
| C50 | C48 | H58 | 104.2° | 109.5° |
| C48 | C50 | H59 | 108.2° | 109.4° |
| C48 | C50 | H60 | 108.2° | 109.5° |
| C40 | C16 | C17 | 109.5° | 108.0° |
| C40 | C16 | C15 | 113.9° | 112.0° |
| C16 | C40 | H48 | 109.5° | 109.4° |
| C16 | C40 | H49 | 109.4° | 109.5° |
| C16 | C40 | H50 | 109.5° | 109.5° |
| C16 | C17 | C18 | 116.1° | 109.9° |
| C17 | C16 | C15 | 109.1° | 110.8° |
| C16 | C17 | H5 | 107.8° | 110.9° |
| C16 | C17 | H6 | 107.8° | 109.4° |
| C17 | C18 | C19 | 110.8° | 107.8° |
| C18 | C17 | H5 | 107.8° | 108.2° |
| C18 | C17 | H6 | 107.8° | 108.9° |
| C17 | C18 | H32 | 109.1° | 107.8° |
| C17 | C18 | H33 | 109.1° | 110.4° |
| C16 | C15 | C14 | 110.4° | 112.1° |
| C16 | C15 | C20 | 118.1° | 114.9° |
| C16 | C15 | H4 | 103.5° | 107.6° |
| C47 | C46 | O53 | 115.1° | 109.5° |
| C46 | C47 | O52 | 110.6° | 109.5° |
| C47 | C46 | H56 | 105.8° | 109.5° |
| C46 | C47 | H57 | 106.9° | 109.5° |
| O53 | C46 | H56 | 108.5° | 109.6° |
| C46 | O53 | H71 | 109.5° | 114.0° |
| O52 | C47 | H57 | 109.8° | 109.6° |
| C47 | O52 | H70 | 109.5° | 114.0° |
| O51 | C50 | H59 | 108.2° | 109.4° |
| O51 | C50 | H60 | 108.2° | 109.5° |
| C50 | O51 | H69 | 109.5° | 114.0° |
| O41 | C13 | C14 | 105.1° | 108.8° |
| O41 | C13 | H3 | 112.3° | 108.8° |
| C13 | O41 | H68 | 109.5° | 114.1° |
| C13 | C14 | C15 | 107.8° | 110.3° |
| C14 | C13 | H3 | 109.7° | 109.9° |
| C13 | C14 | H30 | 109.9° | 108.9° |
| C13 | C14 | H31 | 109.9° | 108.1° |
| C18 | C19 | C20 | 108.8° | 110.3° |
| C18 | C19 | C24 | 120.0° | 113.1° |
| C19 | C18 | H32 | 109.1° | 110.2° |
| C19 | C18 | H33 | 109.1° | 111.6° |
| C18 | C19 | H34 | 103.5° | 105.3° |
| C14 | C15 | C20 | 114.8° | 112.1° |
| C14 | C15 | H4 | 104.5° | 105.4° |
| C15 | C14 | H30 | 109.9° | 111.1° |
| C15 | C14 | H31 | 109.9° | 109.3° |
| C15 | C20 | C19 | 108.1° | 108.5° |
| C15 | C20 | C39 | 111.3° | 111.3° |
| C15 | C20 | C21 | 109.5° | 107.9° |
| C20 | C15 | H4 | 103.6° | 103.8° |
| C20 | C19 | C24 | 116.0° | 115.9° |
| C19 | C20 | C39 | 114.0° | 113.3° |
| C19 | C20 | C21 | 108.0° | 107.7° |
| C20 | C19 | H34 | 103.4° | 105.4° |
| C19 | C24 | C26 | 106.7° | 108.0° |
| C19 | C24 | C25 | 114.3° | 112.9° |
| C19 | C24 | C23 | 112.8° | 112.5° |
| C24 | C19 | H34 | 102.7° | 105.9° |
| C39 | C20 | C21 | 105.8° | 107.9° |
| C20 | C39 | H45 | 109.5° | 109.5° |
| C20 | C39 | H46 | 109.4° | 109.4° |
| C20 | C39 | H47 | 109.5° | 109.5° |
| C20 | C21 | C22 | 116.2° | 109.4° |
| C20 | C21 | H7 | 107.8° | 109.1° |
| C20 | C21 | H8 | 107.8° | 108.9° |
| C26 | C24 | C25 | 106.7° | 106.8° |
| C26 | C24 | C23 | 105.8° | 106.2° |
| C24 | C26 | H11 | 109.5° | 109.5° |
| C24 | C26 | H12 | 109.5° | 109.5° |
| C24 | C26 | H13 | 109.5° | 109.5° |
| C25 | C24 | C23 | 110.0° | 110.0° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.5° | 109.5° |
| C24 | C25 | H38 | 109.5° | 109.4° |
| C24 | C23 | C22 | 109.8° | 112.8° |
| C24 | C23 | O27 | 116.4° | 108.8° |
| C24 | C23 | H35 | 105.1° | 108.7° |
| C21 | C22 | C23 | 112.4° | 110.8° |
| C22 | C21 | H7 | 107.8° | 109.7° |
| C22 | C21 | H8 | 107.8° | 109.8° |
| C21 | C22 | H9 | 108.7° | 111.4° |
| C21 | C22 | H10 | 108.7° | 108.2° |
| C22 | C23 | O27 | 111.7° | 109.2° |
| C23 | C22 | H9 | 108.7° | 110.7° |
| C23 | C22 | H10 | 108.7° | 108.4° |
| C22 | C23 | H35 | 106.0° | 109.2° |
| C23 | O27 | C28 | 121.8° | 114.0° |
| O27 | C23 | H35 | 107.0° | 108.1° |
| O27 | C28 | O33 | 113.6° | 109.5° |
| O27 | C28 | C29 | 113.6° | 109.5° |
| O27 | C28 | H14 | 106.3° | 109.5° |
| O33 | C28 | C29 | 111.7° | 109.4° |
| C28 | O33 | C32 | 124.2° | 114.1° |
| O33 | C28 | H14 | 106.1° | 109.5° |
| C28 | C29 | O38 | 110.6° | 109.5° |
| C28 | C29 | C30 | 110.9° | 109.2° |
| C29 | C28 | H14 | 104.6° | 109.5° |
| C28 | C29 | H39 | 107.9° | 109.5° |
| O38 | C29 | C30 | 108.6° | 109.5° |
| O38 | C29 | H39 | 110.7° | 109.6° |
| C29 | O38 | H67 | 109.5° | 114.0° |
| O33 | C32 | C34 | 115.2° | 109.5° |
| O33 | C32 | C31 | 112.5° | 109.4° |
| O33 | C32 | H42 | 108.1° | 109.5° |
| C29 | C30 | O37 | 110.7° | 109.6° |
| C29 | C30 | C31 | 110.1° | 109.1° |
| C30 | C29 | H39 | 108.2° | 109.5° |
| C29 | C30 | H40 | 108.2° | 109.5° |
| C34 | C32 | C31 | 107.9° | 109.5° |
| C32 | C34 | O35 | 110.4° | 109.5° |
| C34 | C32 | H42 | 106.2° | 109.5° |
| C32 | C34 | H43 | 109.2° | 109.5° |
| C32 | C34 | H44 | 109.2° | 109.5° |
| C32 | C31 | C30 | 108.6° | 109.2° |
| C32 | C31 | O36 | 111.4° | 109.5° |
| C32 | C31 | H41 | 107.9° | 109.6° |
| C31 | C32 | H42 | 106.5° | 109.5° |
| O37 | C30 | C31 | 109.1° | 109.5° |
| O37 | C30 | H40 | 110.6° | 109.6° |
| C30 | O37 | H66 | 109.5° | 114.0° |
| C30 | C31 | O36 | 110.0° | 109.5° |
| C31 | C30 | H40 | 108.2° | 109.6° |
| C30 | C31 | H41 | 108.1° | 109.5° |
| O35 | C34 | H43 | 109.2° | 109.5° |
| O35 | C34 | H44 | 109.3° | 109.5° |
| C34 | O35 | H64 | 109.5° | 114.0° |
| O36 | C31 | H41 | 110.8° | 109.5° |
| C31 | O36 | H65 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 111.0° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.4° | 109.8° |
| H9 | C22 | H10 | 109.5° | 107.2° |
| H11 | C26 | H12 | 109.4° | 109.4° |
| H11 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.4° | 109.5° |
| H15 | C01 | H16 | 109.4° | 109.5° |
| H15 | C01 | H17 | 109.5° | 109.5° |
| H16 | C01 | H17 | 109.5° | 109.5° |
| H19 | C04 | H20 | 109.4° | 109.5° |
| H21 | C05 | H22 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.5° | 109.5° |
| H23 | C07 | H25 | 109.4° | 109.4° |
| H24 | C07 | H25 | 109.4° | 109.5° |
| H27 | C09 | H28 | 109.5° | 110.2° |
| H30 | C14 | H31 | 109.4° | 109.2° |
| H32 | C18 | H33 | 109.5° | 108.9° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H38 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.4° | 109.4° |
| H45 | C39 | H46 | 109.5° | 109.5° |
| H45 | C39 | H47 | 109.5° | 109.5° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.5° |
| H48 | C40 | H50 | 109.4° | 109.5° |
| H49 | C40 | H50 | 109.5° | 109.5° |
| H51 | C42 | H52 | 109.5° | 109.5° |
| H51 | C42 | H53 | 109.4° | 109.5° |
| H52 | C42 | H53 | 109.5° | 109.5° |
| H59 | C50 | H60 | 109.5° | 109.5° |
| H61 | C55 | H62 | 109.5° | 109.4° |
| H61 | C55 | H63 | 109.4° | 109.5° |
| H62 | C55 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | C04 | 27.3° | 171.9° |
| C07 | C06 | C08 | C09 | 46.4° | 55.3° |
| C07 | C06 | C05 | C08 | 112.8° | 120.0° |
| C07 | C06 | C05 | O43 | 129.2° | 120.0° |
| C07 | C06 | C08 | O43 | 119.6° | 120.0° |
| C07 | C06 | C08 | C12 | 161.5° | 59.6° |
| C07 | C06 | O43 | C44 | 30.3° | 58.0° |
| C07 | C06 | C05 | H21 | 94.0° | 68.2° |
| C07 | C06 | C05 | H22 | 148.6° | 51.9° |
| C06 | C07 | H23 | H24 | 120.0° | 120.1° |
| C06 | C07 | H23 | H25 | 120.0° | 120.0° |
| C06 | C07 | H24 | H25 | 120.0° | 120.0° |
| C07 | C06 | C08 | H26 | 75.8° | 177.9° |
| C04 | C03 | C02 | H18 | 180.0° | 180.0° |
| C03 | C04 | C05 | H19 | 121.9° | 120.0° |
| C03 | C04 | C05 | H20 | 121.9° | 120.0° |
| C04 | C03 | C02 | C01 | 179.7° | 5.3° |
| C04 | C03 | C02 | C55 | 0.8° | 174.7° |
| C03 | C04 | C05 | C06 | 71.8° | 174.2° |
| C03 | C04 | H19 | H20 | 113.9° | 120.0° |
| C03 | C04 | C05 | H21 | 166.9° | 54.2° |
| C03 | C04 | C05 | H22 | 49.5° | 65.8° |
| C02 | C03 | C04 | C05 | 87.0° | 124.6° |
| C03 | C02 | C01 | C55 | 179.5° | 180.0° |
| C03 | C02 | C01 | H15 | 180.0° | 174.9° |
| C03 | C02 | C01 | H16 | 60.0° | 65.1° |
| C03 | C02 | C01 | H17 | 60.0° | 54.9° |
| C02 | C03 | C04 | H19 | 151.2° | 115.5° |
| C02 | C03 | C04 | H20 | 34.9° | 4.5° |
| C03 | C02 | C55 | H61 | 180.0° | 179.9° |
| C03 | C02 | C55 | H62 | 60.0° | 60.0° |
| C03 | C02 | C55 | H63 | 60.0° | 60.0° |
| C04 | C05 | C06 | H21 | 121.3° | 119.9° |
| C04 | C05 | C06 | H22 | 121.3° | 120.0° |
| C04 | C05 | C06 | C08 | 140.1° | 51.9° |
| C04 | C05 | C06 | O43 | 101.9° | 68.1° |
| C05 | C04 | C03 | H18 | 93.0° | 55.4° |
| C05 | C04 | H19 | H20 | 113.8° | 120.0° |
| C04 | C05 | H21 | H22 | 115.9° | 120.0° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H17 | 120.0° | 120.0° |
| C02 | C01 | H16 | H17 | 120.0° | 119.9° |
| C01 | C02 | C03 | H18 | 0.3° | 174.7° |
| C01 | C02 | C55 | H61 | 0.4° | 0.0° |
| C01 | C02 | C55 | H62 | 120.5° | 120.0° |
| C01 | C02 | C55 | H63 | 119.5° | 120.0° |
| C55 | C02 | C01 | H15 | 0.4° | 5.1° |
| C55 | C02 | C01 | H16 | 119.5° | 115.0° |
| C55 | C02 | C01 | H17 | 120.5° | 125.1° |
| C55 | C02 | C03 | H18 | 179.2° | 5.3° |
| C02 | C55 | H61 | H62 | 120.0° | 120.0° |
| C02 | C55 | H61 | H63 | 120.0° | 120.1° |
| C02 | C55 | H62 | H63 | 120.0° | 120.0° |
| C10 | C09 | C08 | H27 | 119.5° | 118.5° |
| C10 | C09 | C08 | H28 | 119.6° | 119.7° |
| C09 | C10 | C11 | H1 | 119.3° | 117.3° |
| C09 | C10 | C11 | H2 | 119.3° | 118.2° |
| C10 | C09 | C08 | C06 | 118.4° | 122.2° |
| C10 | C09 | C08 | C12 | 0.0° | 3.9° |
| C09 | C10 | C11 | C42 | 71.7° | 71.6° |
| C09 | C10 | C11 | C12 | 42.1° | 44.6° |
| C09 | C10 | C11 | C16 | 164.1° | 162.2° |
| C09 | C10 | H1 | H2 | 122.1° | 122.6° |
| C10 | C09 | C08 | H26 | 119.5° | 115.6° |
| C10 | C09 | H27 | H28 | 121.3° | 121.7° |
| C08 | C09 | C10 | C11 | 26.4° | 25.5° |
| C09 | C08 | C06 | C05 | 73.2° | 175.3° |
| C09 | C08 | C06 | C12 | 115.1° | 114.9° |
| C09 | C08 | C06 | H26 | 122.2° | 122.6° |
| C09 | C08 | C06 | O43 | 166.0° | 64.6° |
| C09 | C08 | C12 | H26 | 119.7° | 119.6° |
| C09 | C08 | C12 | C11 | 25.6° | 31.7° |
| C09 | C08 | C12 | C13 | 150.5° | 152.5° |
| C08 | C09 | C10 | H1 | 145.6° | 142.7° |
| C08 | C09 | C10 | H2 | 92.9° | 94.3° |
| C08 | C09 | H27 | H28 | 121.3° | 122.0° |
| C09 | C08 | C12 | H29 | 86.7° | 85.0° |
| C10 | C11 | C12 | C08 | 41.3° | 47.8° |
| C10 | C11 | C42 | C12 | 108.0° | 109.4° |
| C10 | C11 | C42 | C16 | 131.7° | 129.1° |
| C10 | C11 | C12 | C16 | 129.8° | 122.8° |
| C10 | C11 | C12 | C13 | 173.4° | 173.3° |
| C10 | C11 | C16 | C40 | 55.7° | 52.3° |
| C10 | C11 | C16 | C17 | 63.6° | 65.7° |
| C10 | C11 | C16 | C15 | 177.2° | 173.3° |
| C11 | C10 | H1 | H2 | 122.1° | 125.4° |
| C11 | C10 | C09 | H27 | 145.9° | 144.1° |
| C11 | C10 | C09 | H28 | 93.2° | 94.3° |
| C10 | C11 | C12 | H29 | 71.0° | 66.1° |
| C10 | C11 | C42 | H51 | 180.0° | 60.7° |
| C10 | C11 | C42 | H52 | 60.0° | 179.3° |
| C10 | C11 | C42 | H53 | 60.0° | 59.3° |
| C05 | C06 | C08 | O43 | 120.8° | 120.0° |
| C05 | C06 | C08 | C12 | 41.9° | 60.4° |
| C05 | C06 | O43 | C44 | 98.3° | 62.0° |
| C06 | C05 | C04 | H19 | 50.0° | 65.9° |
| C06 | C05 | C04 | H20 | 166.3° | 54.2° |
| C06 | C05 | H21 | H22 | 115.9° | 120.0° |
| C05 | C06 | C07 | H23 | 180.0° | 65.0° |
| C05 | C06 | C07 | H24 | 60.0° | 175.0° |
| C05 | C06 | C07 | H25 | 60.0° | 54.9° |
| C05 | C06 | C08 | H26 | 164.6° | 62.1° |
| C06 | C08 | C12 | H26 | 122.7° | 122.3° |
| C08 | C06 | O43 | C44 | 142.2° | 177.9° |
| C06 | C08 | C12 | C11 | 143.1° | 149.8° |
| C06 | C08 | C12 | C13 | 92.0° | 89.4° |
| C08 | C06 | C05 | H21 | 18.8° | 171.9° |
| C08 | C06 | C05 | H22 | 98.7° | 68.1° |
| C08 | C06 | C07 | H23 | 62.8° | 55.0° |
| C08 | C06 | C07 | H24 | 177.2° | 65.0° |
| C08 | C06 | C07 | H25 | 57.2° | 174.9° |
| C06 | C08 | C09 | H27 | 1.2° | 3.6° |
| C06 | C08 | C09 | H28 | 122.1° | 118.2° |
| C06 | C08 | C12 | H29 | 30.8° | 33.1° |
| O43 | C06 | C08 | C12 | 78.9° | 179.6° |
| C06 | O43 | C44 | O49 | 102.0° | 76.2° |
| C06 | O43 | C44 | C45 | 129.7° | 163.9° |
| O43 | C06 | C05 | H21 | 136.9° | 51.8° |
| O43 | C06 | C05 | H22 | 19.4° | 171.9° |
| O43 | C06 | C07 | H23 | 52.1° | 175.0° |
| O43 | C06 | C07 | H24 | 68.0° | 55.0° |
| O43 | C06 | C07 | H25 | 172.1° | 65.1° |
| O43 | C06 | C08 | H26 | 43.8° | 57.9° |
| C06 | O43 | C44 | H54 | 13.3° | 43.8° |
| O54 | C45 | C44 | O49 | 67.6° | 177.5° |
| O54 | C45 | C44 | O43 | 163.5° | 62.5° |
| O54 | C45 | C44 | C46 | 126.9° | 119.9° |
| O54 | C45 | C44 | H55 | 119.3° | 120.2° |
| O54 | C45 | C46 | H55 | 121.7° | 120.2° |
| O54 | C45 | C46 | C47 | 62.1° | 176.9° |
| O54 | C45 | C46 | O53 | 169.4° | 63.3° |
| O54 | C45 | C44 | H54 | 46.1° | 57.5° |
| O54 | C45 | C46 | H56 | 52.0° | 57.0° |
| C08 | C12 | C11 | C42 | 69.1° | 66.3° |
| C08 | C12 | C11 | C13 | 132.1° | 125.4° |
| C08 | C12 | C11 | H29 | 112.2° | 113.9° |
| C08 | C12 | C11 | C16 | 171.0° | 170.7° |
| C08 | C12 | C13 | H29 | 122.9° | 121.5° |
| C08 | C12 | C13 | O41 | 67.1° | 64.3° |
| C08 | C12 | C13 | C14 | 177.4° | 177.2° |
| C08 | C12 | C13 | H3 | 56.0° | 56.4° |
| C12 | C08 | C09 | H27 | 119.5° | 114.6° |
| C12 | C08 | C09 | H28 | 119.6° | 123.6° |
| O49 | C44 | O43 | C45 | 128.3° | 119.9° |
| O49 | C44 | O43 | H54 | 115.3° | 120.0° |
| O49 | C44 | C45 | H54 | 113.8° | 120.0° |
| O49 | C44 | C45 | C46 | 59.3° | 57.6° |
| C44 | O49 | C48 | C47 | 39.5° | 61.2° |
| C44 | O49 | C48 | C50 | 93.6° | 178.9° |
| O49 | C44 | C45 | H55 | 173.0° | 62.3° |
| C44 | O49 | C48 | H58 | 153.0° | 58.8° |
| O43 | C44 | C45 | H54 | 117.3° | 120.1° |
| O43 | C44 | O49 | C48 | 81.0° | 178.9° |
| O43 | C44 | C45 | C46 | 69.6° | 177.6° |
| O43 | C44 | C45 | H55 | 44.1° | 57.6° |
| C45 | C44 | O49 | C48 | 51.1° | 61.2° |
| C44 | C45 | C46 | H55 | 113.8° | 119.9° |
| C44 | C45 | C46 | C47 | 62.4° | 57.0° |
| C44 | C45 | C46 | O53 | 66.1° | 176.8° |
| C44 | C45 | C46 | H56 | 176.5° | 62.8° |
| C44 | C45 | O54 | H72 | 180.0° | 180.0° |
| O49 | C48 | C47 | C50 | 132.5° | 119.9° |
| O49 | C48 | C47 | H58 | 114.4° | 120.0° |
| O49 | C48 | C50 | H58 | 114.2° | 120.0° |
| O49 | C48 | C47 | C46 | 36.9° | 57.6° |
| O49 | C48 | C47 | O52 | 86.9° | 177.5° |
| O49 | C48 | C50 | O51 | 128.3° | 65.1° |
| C48 | O49 | C44 | H54 | 163.7° | 58.8° |
| O49 | C48 | C47 | H57 | 152.7° | 62.3° |
| O49 | C48 | C50 | H59 | 7.5° | 175.0° |
| O49 | C48 | C50 | H60 | 111.0° | 55.0° |
| C45 | C46 | C47 | C48 | 51.5° | 57.0° |
| C45 | C46 | C47 | O53 | 126.0° | 119.8° |
| C45 | C46 | C47 | H56 | 114.2° | 119.9° |
| C45 | C46 | O53 | H56 | 115.8° | 120.3° |
| C45 | C46 | C47 | O52 | 73.2° | 176.9° |
| C46 | C45 | C44 | H54 | 173.0° | 62.3° |
| C45 | C46 | C47 | H57 | 167.3° | 62.9° |
| C45 | C46 | O53 | H71 | 180.0° | 60.0° |
| C46 | C45 | O54 | H72 | 58.2° | 60.3° |
| C42 | C11 | C12 | C16 | 119.8° | 123.0° |
| C42 | C11 | C12 | C13 | 62.9° | 59.1° |
| C42 | C11 | C16 | C40 | 177.9° | 176.8° |
| C42 | C11 | C16 | C17 | 58.6° | 58.9° |
| C42 | C11 | C16 | C15 | 60.6° | 62.2° |
| C42 | C11 | C10 | H1 | 47.6° | 45.7° |
| C42 | C11 | C10 | H2 | 169.0° | 170.3° |
| C42 | C11 | C12 | H29 | 178.6° | 179.8° |
| C11 | C42 | H51 | H52 | 120.0° | 120.0° |
| C11 | C42 | H51 | H53 | 120.0° | 120.0° |
| C11 | C42 | H52 | H53 | 120.0° | 120.0° |
| C11 | C12 | C13 | H29 | 115.8° | 121.8° |
| C12 | C11 | C16 | C40 | 62.1° | 60.5° |
| C12 | C11 | C16 | C17 | 178.6° | 178.5° |
| C12 | C11 | C16 | C15 | 59.4° | 60.5° |
| C11 | C12 | C13 | O41 | 171.7° | 179.0° |
| C11 | C12 | C13 | C14 | 56.2° | 60.6° |
| C12 | C11 | C10 | H1 | 161.4° | 162.0° |
| C12 | C11 | C10 | H2 | 77.2° | 73.5° |
| C11 | C12 | C13 | H3 | 65.3° | 60.2° |
| C11 | C12 | C08 | H26 | 94.1° | 87.9° |
| C12 | C11 | C42 | H51 | 72.0° | 170.1° |
| C12 | C11 | C42 | H52 | 48.0° | 69.9° |
| C12 | C11 | C42 | H53 | 168.0° | 50.1° |
| C16 | C11 | C12 | C13 | 56.9° | 63.9° |
| C11 | C16 | C40 | C17 | 121.1° | 119.6° |
| C11 | C16 | C40 | C15 | 116.6° | 118.1° |
| C11 | C16 | C17 | C15 | 117.7° | 119.0° |
| C11 | C16 | C17 | C18 | 160.6° | 173.4° |
| C11 | C16 | C15 | C14 | 64.5° | 59.2° |
| C11 | C16 | C15 | C20 | 160.6° | 171.3° |
| C16 | C11 | C10 | H1 | 76.6° | 80.5° |
| C16 | C11 | C10 | H2 | 44.8° | 44.0° |
| C11 | C16 | C15 | H4 | 46.9° | 56.2° |
| C11 | C16 | C17 | H5 | 39.7° | 53.7° |
| C11 | C16 | C17 | H6 | 78.4° | 67.1° |
| C16 | C11 | C12 | H29 | 58.8° | 56.8° |
| C11 | C16 | C40 | H48 | 180.0° | 63.0° |
| C11 | C16 | C40 | H49 | 60.0° | 57.0° |
| C11 | C16 | C40 | H50 | 60.0° | 177.1° |
| C16 | C11 | C42 | H51 | 48.3° | 68.4° |
| C16 | C11 | C42 | H52 | 168.3° | 51.6° |
| C16 | C11 | C42 | H53 | 71.7° | 171.6° |
| C12 | C13 | O41 | C14 | 119.4° | 117.9° |
| C12 | C13 | O41 | H3 | 121.4° | 122.4° |
| C12 | C13 | C14 | H3 | 121.3° | 121.8° |
| C12 | C13 | C14 | C15 | 59.1° | 57.3° |
| C13 | C12 | C08 | H26 | 30.7° | 32.9° |
| C12 | C13 | C14 | H30 | 60.7° | 64.7° |
| C12 | C13 | C14 | H31 | 178.8° | 176.8° |
| C12 | C13 | O41 | H68 | 180.0° | 177.4° |
| C47 | C48 | C50 | H58 | 113.1° | 120.1° |
| C48 | C47 | C46 | O52 | 124.7° | 119.9° |
| C48 | C47 | C46 | H57 | 115.8° | 119.9° |
| C48 | C47 | C46 | O53 | 74.4° | 176.9° |
| C48 | C47 | O52 | H57 | 118.6° | 120.2° |
| C47 | C48 | C50 | O51 | 4.4° | 175.0° |
| C48 | C47 | C46 | H56 | 165.7° | 62.9° |
| C47 | C48 | C50 | H59 | 125.1° | 55.1° |
| C47 | C48 | C50 | H60 | 116.4° | 64.9° |
| C48 | C47 | O52 | H70 | 180.0° | 179.8° |
| C50 | C48 | C47 | C46 | 95.6° | 177.6° |
| C50 | C48 | C47 | O52 | 140.6° | 62.6° |
| C48 | C50 | O51 | H59 | 120.7° | 119.9° |
| C48 | C50 | O51 | H60 | 120.7° | 120.1° |
| C50 | C48 | C47 | H57 | 20.3° | 57.7° |
| C48 | C50 | H59 | H60 | 117.7° | 120.0° |
| C48 | C50 | O51 | H69 | 180.0° | 179.9° |
| C40 | C16 | C17 | C15 | 125.2° | 123.0° |
| C40 | C16 | C17 | C18 | 82.3° | 68.6° |
| C40 | C16 | C15 | C14 | 51.7° | 59.3° |
| C40 | C16 | C15 | C20 | 83.2° | 70.2° |
| C40 | C16 | C15 | H4 | 163.0° | 174.7° |
| C40 | C16 | C17 | H5 | 156.8° | 171.8° |
| C40 | C16 | C17 | H6 | 38.7° | 50.9° |
| C16 | C40 | H48 | H49 | 120.0° | 119.9° |
| C16 | C40 | H48 | H50 | 120.0° | 120.0° |
| C16 | C40 | H49 | H50 | 120.0° | 120.1° |
| C16 | C17 | C18 | H5 | 121.0° | 121.2° |
| C16 | C17 | C18 | H6 | 121.0° | 119.8° |
| C16 | C17 | C18 | C19 | 58.5° | 62.1° |
| C17 | C16 | C15 | C14 | 174.3° | 180.0° |
| C17 | C16 | C15 | C20 | 39.4° | 50.4° |
| C17 | C16 | C15 | H4 | 74.4° | 64.6° |
| C16 | C17 | H5 | H6 | 117.0° | 120.8° |
| C16 | C17 | C18 | H32 | 178.7° | 178.8° |
| C16 | C17 | C18 | H33 | 61.7° | 60.0° |
| C17 | C16 | C40 | H48 | 59.0° | 56.7° |
| C17 | C16 | C40 | H49 | 61.0° | 176.6° |
| C17 | C16 | C40 | H50 | 179.0° | 63.3° |
| C18 | C17 | C16 | C15 | 43.0° | 54.4° |
| C17 | C18 | C19 | H32 | 120.2° | 117.5° |
| C17 | C18 | C19 | H33 | 120.2° | 121.4° |
| C17 | C18 | C19 | C20 | 65.5° | 65.4° |
| C17 | C18 | C19 | C24 | 157.6° | 163.0° |
| C18 | C17 | H5 | H6 | 117.0° | 118.6° |
| C17 | C18 | H32 | H33 | 119.4° | 119.8° |
| C17 | C18 | C19 | H34 | 44.0° | 47.8° |
| C16 | C15 | C14 | C13 | 63.8° | 58.2° |
| C16 | C15 | C14 | C20 | 136.5° | 131.0° |
| C16 | C15 | C14 | H4 | 110.7° | 116.7° |
| C16 | C15 | C20 | H4 | 113.7° | 117.2° |
| C16 | C15 | C20 | C19 | 48.6° | 52.0° |
| C16 | C15 | C20 | C39 | 77.3° | 73.4° |
| C16 | C15 | C20 | C21 | 166.1° | 168.4° |
| C15 | C16 | C17 | H5 | 78.0° | 65.2° |
| C15 | C16 | C17 | H6 | 164.0° | 173.9° |
| C16 | C15 | C14 | H30 | 55.9° | 62.6° |
| C16 | C15 | C14 | H31 | 176.4° | 176.9° |
| C15 | C16 | C40 | H48 | 63.4° | 178.9° |
| C15 | C16 | C40 | H49 | 176.6° | 61.1° |
| C15 | C16 | C40 | H50 | 56.6° | 59.0° |
| C47 | C46 | O53 | H56 | 118.3° | 120.2° |
| C46 | C47 | O52 | H57 | 117.8° | 120.1° |
| C47 | C46 | C45 | H55 | 176.2° | 62.9° |
| C46 | C47 | C48 | H58 | 151.2° | 62.4° |
| C46 | C47 | O52 | H70 | 56.4° | 60.1° |
| C47 | C46 | O53 | H71 | 54.0° | 179.5° |
| O53 | C46 | C47 | O52 | 160.9° | 63.2° |
| O53 | C46 | C45 | H55 | 47.6° | 56.9° |
| O53 | C46 | C47 | H57 | 41.3° | 56.9° |
| O52 | C47 | C46 | H56 | 41.0° | 57.0° |
| O52 | C47 | C48 | H58 | 27.5° | 57.5° |
| O51 | C50 | C48 | H58 | 117.5° | 54.9° |
| O51 | C50 | H59 | H60 | 117.8° | 120.0° |
| O41 | C13 | C14 | H3 | 120.9° | 119.0° |
| O41 | C13 | C14 | C15 | 176.9° | 176.5° |
| O41 | C13 | C12 | H29 | 55.8° | 57.2° |
| O41 | C13 | C14 | H30 | 57.1° | 54.5° |
| O41 | C13 | C14 | H31 | 63.4° | 64.0° |
| C13 | C14 | C15 | H30 | 119.7° | 120.8° |
| C13 | C14 | C15 | H31 | 119.8° | 118.7° |
| C13 | C14 | C15 | C20 | 159.7° | 170.8° |
| C13 | C14 | C15 | H4 | 46.9° | 58.6° |
| C14 | C13 | C12 | H29 | 59.7° | 61.3° |
| C13 | C14 | H30 | H31 | 120.8° | 117.9° |
| C14 | C13 | O41 | H68 | 60.6° | 64.6° |
| C18 | C19 | C20 | C15 | 59.1° | 59.0° |
| C18 | C19 | C20 | C24 | 138.8° | 130.1° |
| C18 | C19 | C20 | H34 | 109.6° | 113.1° |
| C18 | C19 | C24 | H34 | 114.0° | 114.8° |
| C18 | C19 | C20 | C39 | 65.3° | 65.1° |
| C18 | C19 | C20 | C21 | 177.5° | 175.6° |
| C18 | C19 | C24 | C26 | 67.8° | 67.3° |
| C18 | C19 | C24 | C25 | 49.9° | 50.6° |
| C18 | C19 | C24 | C23 | 176.5° | 175.8° |
| C19 | C18 | C17 | H5 | 62.4° | 59.1° |
| C19 | C18 | C17 | H6 | 179.5° | 178.0° |
| C19 | C18 | H32 | H33 | 119.4° | 122.7° |
| C14 | C15 | C20 | H4 | 113.2° | 113.2° |
| C14 | C15 | C20 | C19 | 178.3° | 178.5° |
| C14 | C15 | C20 | C39 | 55.7° | 56.2° |
| C14 | C15 | C20 | C21 | 60.9° | 62.0° |
| C15 | C14 | C13 | H3 | 62.2° | 64.4° |
| C15 | C14 | H30 | H31 | 120.8° | 120.6° |
| C15 | C20 | C19 | C39 | 124.3° | 124.2° |
| C15 | C20 | C19 | C21 | 118.5° | 116.6° |
| C15 | C20 | C19 | C24 | 162.1° | 170.8° |
| C15 | C20 | C39 | C21 | 118.9° | 118.2° |
| C15 | C20 | C21 | C22 | 171.5° | 177.5° |
| C15 | C20 | C21 | H7 | 67.5° | 62.4° |
| C15 | C20 | C21 | H8 | 50.5° | 57.4° |
| C20 | C15 | C14 | H30 | 80.6° | 68.4° |
| C20 | C15 | C14 | H31 | 39.9° | 52.1° |
| C15 | C20 | C19 | H34 | 50.5° | 54.1° |
| C15 | C20 | C39 | H45 | 180.0° | 40.0° |
| C15 | C20 | C39 | H46 | 60.0° | 160.0° |
| C15 | C20 | C39 | H47 | 60.0° | 80.0° |
| C20 | C19 | C24 | H34 | 112.0° | 116.4° |
| C19 | C20 | C39 | C21 | 118.5° | 119.2° |
| C20 | C19 | C24 | C26 | 158.2° | 163.9° |
| C20 | C19 | C24 | C25 | 84.1° | 78.1° |
| C20 | C19 | C24 | C23 | 42.5° | 47.1° |
| C19 | C20 | C21 | C22 | 54.0° | 60.5° |
| C19 | C20 | C15 | H4 | 65.1° | 65.2° |
| C19 | C20 | C21 | H7 | 175.0° | 179.4° |
| C19 | C20 | C21 | H8 | 67.0° | 59.5° |
| C20 | C19 | C18 | H32 | 174.3° | 177.2° |
| C20 | C19 | C18 | H33 | 54.6° | 56.0° |
| C19 | C20 | C39 | H45 | 57.4° | 162.7° |
| C19 | C20 | C39 | H46 | 62.6° | 77.4° |
| C19 | C20 | C39 | H47 | 177.4° | 42.6° |
| C24 | C19 | C20 | C39 | 73.6° | 65.0° |
| C24 | C19 | C20 | C21 | 43.6° | 54.3° |
| C19 | C24 | C26 | C25 | 122.5° | 121.7° |
| C19 | C24 | C26 | C23 | 120.4° | 120.9° |
| C19 | C24 | C25 | C23 | 128.0° | 126.5° |
| C19 | C24 | C23 | C22 | 46.2° | 45.4° |
| C19 | C24 | C23 | O27 | 174.4° | 166.7° |
| C19 | C24 | C26 | H11 | 180.0° | 178.2° |
| C19 | C24 | C26 | H12 | 60.0° | 58.3° |
| C19 | C24 | C26 | H13 | 60.0° | 61.7° |
| C24 | C19 | C18 | H32 | 37.4° | 45.6° |
| C24 | C19 | C18 | H33 | 82.3° | 75.6° |
| C19 | C24 | C23 | H35 | 67.4° | 75.8° |
| C19 | C24 | C25 | H36 | 180.0° | 168.3° |
| C19 | C24 | C25 | H37 | 60.0° | 48.2° |
| C19 | C24 | C25 | H38 | 60.0° | 71.7° |
| C39 | C20 | C21 | C22 | 68.4° | 62.1° |
| C39 | C20 | C15 | H4 | 169.0° | 169.4° |
| C39 | C20 | C21 | H7 | 52.6° | 58.0° |
| C39 | C20 | C21 | H8 | 170.6° | 177.8° |
| C39 | C20 | C19 | H34 | 174.8° | 178.2° |
| C20 | C39 | H45 | H46 | 120.0° | 119.9° |
| C20 | C39 | H45 | H47 | 120.0° | 120.0° |
| C20 | C39 | H46 | H47 | 120.0° | 119.9° |
| C20 | C21 | C22 | H7 | 121.0° | 119.7° |
| C20 | C21 | C22 | H8 | 121.0° | 119.5° |
| C20 | C21 | C22 | C23 | 63.4° | 62.3° |
| C21 | C20 | C15 | H4 | 52.4° | 51.2° |
| C20 | C21 | H7 | H8 | 116.9° | 119.3° |
| C20 | C21 | C22 | H9 | 57.1° | 61.5° |
| C20 | C21 | C22 | H10 | 176.2° | 179.0° |
| C21 | C20 | C19 | H34 | 68.0° | 62.5° |
| C21 | C20 | C39 | H45 | 61.1° | 78.2° |
| C21 | C20 | C39 | H46 | 178.9° | 41.8° |
| C21 | C20 | C39 | H47 | 58.9° | 161.8° |
| C26 | C24 | C25 | C23 | 114.3° | 114.9° |
| C26 | C24 | C23 | C22 | 162.5° | 163.4° |
| C26 | C24 | C23 | O27 | 69.3° | 75.3° |
| C24 | C26 | H11 | H12 | 120.0° | 120.0° |
| C24 | C26 | H11 | H13 | 120.0° | 120.1° |
| C24 | C26 | H12 | H13 | 120.0° | 120.1° |
| C26 | C24 | C19 | H34 | 46.2° | 47.5° |
| C26 | C24 | C23 | H35 | 48.9° | 42.1° |
| C26 | C24 | C25 | H36 | 62.4° | 49.7° |
| C26 | C24 | C25 | H37 | 57.7° | 70.4° |
| C26 | C24 | C25 | H38 | 177.6° | 169.7° |
| C25 | C24 | C23 | C22 | 82.6° | 81.3° |
| C25 | C24 | C23 | O27 | 45.6° | 40.0° |
| C25 | C24 | C26 | H11 | 57.5° | 60.0° |
| C25 | C24 | C26 | H12 | 177.5° | 180.0° |
| C25 | C24 | C26 | H13 | 62.6° | 60.0° |
| C25 | C24 | C19 | H34 | 163.9° | 165.4° |
| C25 | C24 | C23 | H35 | 163.8° | 157.4° |
| C24 | C25 | H36 | H37 | 120.0° | 120.0° |
| C24 | C25 | H36 | H38 | 120.0° | 120.0° |
| C24 | C25 | H37 | H38 | 120.0° | 119.9° |
| C24 | C23 | C22 | C21 | 55.8° | 54.1° |
| C24 | C23 | C22 | O27 | 130.8° | 121.1° |
| C24 | C23 | C22 | H35 | 113.0° | 121.0° |
| C24 | C23 | O27 | H35 | 117.1° | 117.9° |
| C24 | C23 | O27 | C28 | 114.1° | 150.0° |
| C24 | C23 | C22 | H9 | 64.7° | 70.0° |
| C24 | C23 | C22 | H10 | 176.2° | 172.6° |
| C23 | C24 | C26 | H11 | 59.6° | 57.4° |
| C23 | C24 | C26 | H12 | 60.4° | 62.6° |
| C23 | C24 | C26 | H13 | 179.7° | 177.4° |
| C23 | C24 | C19 | H34 | 69.5° | 69.4° |
| C23 | C24 | C25 | H36 | 52.0° | 65.2° |
| C23 | C24 | C25 | H37 | 172.0° | 174.8° |
| C23 | C24 | C25 | H38 | 68.0° | 54.8° |
| C21 | C22 | C23 | H9 | 120.5° | 124.1° |
| C21 | C22 | C23 | H10 | 120.4° | 118.6° |
| C21 | C22 | C23 | O27 | 173.4° | 175.1° |
| C22 | C21 | H7 | H8 | 117.0° | 120.8° |
| C21 | C22 | H9 | H10 | 118.6° | 118.2° |
| C21 | C22 | C23 | H35 | 57.2° | 66.9° |
| C22 | C23 | O27 | H35 | 115.6° | 118.7° |
| C22 | C23 | O27 | C28 | 118.6° | 86.5° |
| C23 | C22 | C21 | H7 | 175.6° | 178.0° |
| C23 | C22 | C21 | H8 | 57.6° | 57.2° |
| C23 | C22 | H9 | H10 | 118.7° | 118.1° |
| C23 | O27 | C28 | O33 | 76.3° | 65.0° |
| C23 | O27 | C28 | C29 | 154.5° | 175.1° |
| O27 | C23 | C22 | H9 | 66.1° | 51.0° |
| O27 | C23 | C22 | H10 | 53.0° | 66.3° |
| C23 | O27 | C28 | H14 | 40.0° | 55.1° |
| O27 | C28 | O33 | C29 | 130.1° | 120.0° |
| O27 | C28 | O33 | H14 | 116.5° | 120.0° |
| O27 | C28 | C29 | H14 | 115.5° | 120.0° |
| O27 | C28 | C29 | O38 | 107.1° | 62.5° |
| O27 | C28 | O33 | C32 | 85.2° | 178.9° |
| O27 | C28 | C29 | C30 | 132.4° | 177.6° |
| C28 | O27 | C23 | H35 | 3.0° | 32.2° |
| O27 | C28 | C29 | H39 | 14.1° | 57.7° |
| O33 | C28 | C29 | H14 | 114.3° | 120.0° |
| O33 | C28 | C29 | O38 | 122.7° | 177.5° |
| O33 | C28 | C29 | C30 | 2.3° | 57.6° |
| C28 | O33 | C32 | C34 | 89.5° | 178.9° |
| C28 | O33 | C32 | C31 | 34.7° | 61.1° |
| O33 | C28 | C29 | H39 | 116.0° | 62.3° |
| C28 | O33 | C32 | H42 | 152.0° | 58.8° |
| C28 | C29 | O38 | C30 | 121.9° | 119.7° |
| C28 | C29 | O38 | H39 | 119.5° | 120.1° |
| C29 | C28 | O33 | C32 | 44.9° | 61.1° |
| C28 | C29 | C30 | H39 | 118.1° | 119.9° |
| C28 | C29 | C30 | O37 | 173.6° | 176.8° |
| C28 | C29 | C30 | C31 | 53.0° | 56.9° |
| C28 | C29 | C30 | H40 | 65.0° | 63.0° |
| C28 | C29 | O38 | H67 | 180.0° | 60.0° |
| O38 | C29 | C30 | H39 | 120.2° | 120.2° |
| O38 | C29 | C30 | O37 | 64.7° | 63.3° |
| O38 | C29 | C30 | C31 | 174.7° | 176.9° |
| O38 | C29 | C28 | H14 | 8.4° | 57.5° |
| O38 | C29 | C30 | H40 | 56.7° | 56.9° |
| O33 | C32 | C34 | C31 | 126.6° | 119.9° |
| O33 | C32 | C34 | H42 | 119.6° | 120.0° |
| O33 | C32 | C31 | H42 | 118.2° | 120.0° |
| O33 | C32 | C31 | C30 | 20.9° | 57.6° |
| O33 | C32 | C34 | O35 | 79.5° | 65.1° |
| O33 | C32 | C31 | O36 | 142.2° | 177.5° |
| C32 | O33 | C28 | H14 | 158.3° | 58.8° |
| O33 | C32 | C31 | H41 | 96.0° | 62.3° |
| O33 | C32 | C34 | H43 | 40.7° | 174.9° |
| O33 | C32 | C34 | H44 | 160.4° | 55.0° |
| C29 | C30 | C31 | C32 | 62.8° | 57.0° |
| C29 | C30 | O37 | C31 | 121.2° | 119.6° |
| C29 | C30 | O37 | H40 | 119.9° | 120.2° |
| C29 | C30 | C31 | H40 | 118.0° | 119.9° |
| C29 | C30 | C31 | O36 | 175.1° | 176.8° |
| C30 | C29 | C28 | H14 | 112.1° | 62.4° |
| C29 | C30 | C31 | H41 | 54.0° | 63.0° |
| C29 | C30 | O37 | H66 | 180.0° | 60.0° |
| C30 | C29 | O38 | H67 | 58.1° | 179.7° |
| C34 | C32 | C31 | H42 | 113.7° | 120.0° |
| C34 | C32 | C31 | C30 | 149.1° | 177.6° |
| C32 | C34 | O35 | H43 | 120.2° | 120.0° |
| C32 | C34 | O35 | H44 | 120.2° | 120.0° |
| C34 | C32 | C31 | O36 | 89.7° | 62.5° |
| C34 | C32 | C31 | H41 | 32.1° | 57.7° |
| C32 | C34 | H43 | H44 | 119.5° | 120.0° |
| C32 | C34 | O35 | H64 | 180.0° | 180.0° |
| C32 | C31 | C30 | O37 | 175.6° | 176.9° |
| C32 | C31 | C30 | O36 | 122.1° | 119.9° |
| C32 | C31 | C30 | H41 | 116.8° | 119.9° |
| C31 | C32 | C34 | O35 | 47.1° | 175.0° |
| C32 | C31 | O36 | H41 | 120.1° | 120.2° |
| C32 | C31 | C30 | H40 | 55.2° | 62.9° |
| C31 | C32 | C34 | H43 | 167.3° | 55.0° |
| C31 | C32 | C34 | H44 | 73.1° | 65.0° |
| C32 | C31 | O36 | H65 | 180.0° | 179.7° |
| O37 | C30 | C31 | H40 | 120.4° | 120.2° |
| O37 | C30 | C31 | O36 | 53.4° | 63.2° |
| O37 | C30 | C29 | H39 | 55.5° | 57.0° |
| O37 | C30 | C31 | H41 | 67.6° | 56.9° |
| C30 | C31 | O36 | H41 | 119.4° | 120.1° |
| C31 | C30 | C29 | H39 | 65.1° | 62.9° |
| C30 | C31 | C32 | H42 | 97.2° | 62.4° |
| C30 | C31 | O36 | H65 | 59.5° | 60.0° |
| C31 | C30 | O37 | H66 | 58.8° | 179.6° |
| O35 | C34 | C32 | H42 | 161.0° | 55.0° |
| O35 | C34 | H43 | H44 | 119.6° | 120.0° |
| O36 | C31 | C30 | H40 | 66.9° | 57.0° |
| O36 | C31 | C32 | H42 | 24.0° | 57.5° |
| H1 | C10 | C09 | H27 | 94.8° | 98.7° |
| H1 | C10 | C09 | H28 | 26.1° | 22.9° |
| H2 | C10 | C09 | H27 | 26.6° | 24.4° |
| H2 | C10 | C09 | H28 | 147.5° | 146.0° |
| H3 | C13 | C12 | H29 | 178.9° | 178.0° |
| H3 | C13 | C14 | H30 | 178.0° | 173.5° |
| H3 | C13 | C14 | H31 | 57.5° | 55.0° |
| H3 | C13 | O41 | H68 | 58.6° | 55.1° |
| H4 | C15 | C14 | H30 | 166.7° | 179.3° |
| H4 | C15 | C14 | H31 | 72.8° | 60.2° |
| H5 | C17 | C18 | H32 | 57.8° | 59.9° |
| H5 | C17 | C18 | H33 | 177.4° | 178.8° |
| H6 | C17 | C18 | H32 | 60.3° | 59.0° |
| H6 | C17 | C18 | H33 | 59.3° | 59.8° |
| H7 | C21 | C22 | H9 | 63.9° | 58.2° |
| H7 | C21 | C22 | H10 | 55.2° | 59.3° |
| H8 | C21 | C22 | H9 | 178.1° | 179.0° |
| H8 | C21 | C22 | H10 | 62.9° | 61.5° |
| H9 | C22 | C23 | H35 | 177.7° | 169.0° |
| H10 | C22 | C23 | H35 | 63.2° | 51.7° |
| H11 | C26 | H12 | H13 | 120.0° | 120.0° |
| H14 | C28 | C29 | H39 | 129.6° | 177.7° |
| H15 | C01 | H16 | H17 | 120.0° | 120.1° |
| H18 | C03 | C04 | H19 | 28.8° | 64.5° |
| H18 | C03 | C04 | H20 | 145.1° | 175.5° |
| H19 | C04 | C05 | H21 | 71.2° | 174.2° |
| H19 | C04 | C05 | H22 | 171.3° | 54.1° |
| H20 | C04 | C05 | H21 | 45.0° | 65.8° |
| H20 | C04 | C05 | H22 | 72.5° | 174.2° |
| H23 | C07 | H24 | H25 | 119.9° | 119.9° |
| H26 | C08 | C09 | H27 | 120.9° | 125.9° |
| H26 | C08 | C09 | H28 | 0.0° | 4.1° |
| H26 | C08 | C12 | H29 | 153.6° | 155.4° |
| H32 | C18 | C19 | H34 | 76.2° | 69.6° |
| H33 | C18 | C19 | H34 | 164.2° | 169.2° |
| H36 | C25 | H37 | H38 | 120.0° | 120.1° |
| H39 | C29 | C30 | H40 | 176.9° | 177.2° |
| H39 | C29 | O38 | H67 | 60.5° | 60.1° |
| H40 | C30 | C31 | H41 | 172.0° | 177.1° |
| H40 | C30 | O37 | H66 | 60.1° | 60.2° |
| H41 | C31 | C32 | H42 | 145.8° | 177.7° |
| H41 | C31 | O36 | H65 | 59.9° | 60.1° |
| H42 | C32 | C34 | H43 | 78.9° | 65.1° |
| H42 | C32 | C34 | H44 | 40.8° | 175.0° |
| H43 | C34 | O35 | H64 | 59.9° | 60.0° |
| H44 | C34 | O35 | H64 | 59.8° | 60.0° |
| H45 | C39 | H46 | H47 | 120.0° | 120.1° |
| H48 | C40 | H49 | H50 | 120.0° | 120.0° |
| H51 | C42 | H52 | H53 | 120.0° | 120.0° |
| H54 | C44 | C45 | H55 | 73.2° | 177.7° |
| H55 | C45 | C46 | H56 | 69.7° | 177.2° |
| H55 | C45 | O54 | H72 | 62.1° | 59.9° |
| H56 | C46 | C47 | H57 | 78.5° | 177.2° |
| H56 | C46 | O53 | H71 | 64.3° | 60.3° |
| H57 | C47 | C48 | H58 | 92.9° | 177.8° |
| H57 | C47 | O52 | H70 | 61.4° | 60.0° |
| H58 | C48 | C50 | H59 | 121.8° | 65.0° |
| H58 | C48 | C50 | H60 | 3.3° | 175.0° |
| H59 | C50 | O51 | H69 | 59.3° | 60.0° |
| H60 | C50 | O51 | H69 | 59.3° | 60.0° |
| H61 | C55 | H62 | H63 | 120.0° | 120.0° |
