WEV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C03 | C04 | sing | 1.52Å | 1.51Å | |
| C01 | C02 | sing | 1.54Å | 1.47Å | |
| C02 | C18 | sing | 1.53Å | 1.54Å | |
| C44 | C04 | sing | 1.51Å | 1.46Å | |
| O19 | C18 | sing | 1.43Å | 1.34Å | |
| C04 | C05 | doub | 1.31Å | 1.28Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C20 | C17 | sing | 1.52Å | 1.51Å | |
| C05 | C06 | sing | 1.46Å | 1.50Å | |
| C17 | C16 | sing | 1.48Å | 1.50Å | |
| C06 | C07 | doub | 1.32Å | 1.28Å | |
| C16 | C15 | doub | 1.33Å | 1.26Å | |
| C37 | C35 | sing | 1.53Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.49Å | |
| C35 | C33 | sing | 1.53Å | 1.44Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C15 | C21 | sing | 1.50Å | 1.51Å | |
| C15 | C14 | sing | 1.47Å | 1.56Å | |
| C43 | O42 | sing | 1.43Å | 1.38Å | |
| O42 | C08 | sing | 1.43Å | 1.36Å | |
| C38 | C32 | sing | 1.53Å | 1.56Å | |
| C33 | O34 | sing | 1.43Å | 1.45Å | |
| C33 | C32 | sing | 1.53Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | doub | 1.34Å | 1.33Å | |
| O34 | C29 | sing | 1.43Å | 1.44Å | |
| C32 | C31 | sing | 1.53Å | 1.43Å | |
| C09 | C24 | sing | 1.53Å | 1.51Å | |
| C09 | O10 | sing | 1.43Å | 1.42Å | |
| C13 | O22 | sing | 1.35Å | 1.38Å | |
| C13 | C11 | sing | 1.48Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.47Å | |
| C26 | O41 | sing | 1.43Å | 1.33Å | |
| C26 | C24 | sing | 1.53Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| O40 | C29 | sing | 1.43Å | 1.33Å | |
| C31 | O39 | sing | 1.43Å | 1.44Å | |
| C31 | C30 | sing | 1.53Å | 1.46Å | |
| O22 | C23 | sing | 1.43Å | 1.40Å | |
| C29 | C27 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| C11 | O10 | sing | 1.35Å | 1.40Å | |
| C11 | O12 | doub | 1.21Å | 1.15Å | |
| C27 | C28 | sing | 1.53Å | 1.46Å | |
| C43 | H1 | sing | 1.09Å | 1.10Å | |
| C43 | H2 | sing | 1.09Å | 1.10Å | |
| C43 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.08Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.11Å | 1.08Å | |
| C06 | H11 | sing | 1.10Å | 1.08Å | |
| C07 | H13 | sing | 1.09Å | 1.08Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.10Å | 1.08Å | |
| C16 | H18 | sing | 1.11Å | 1.08Å | |
| C17 | H19 | sing | 1.12Å | 1.10Å | |
| C18 | H20 | sing | 1.10Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | 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 | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| O19 | H57 | sing | 0.97Å | 0.95Å | |
| O39 | H58 | sing | 0.97Å | 0.95Å | |
| O40 | H59 | sing | 0.97Å | 0.95Å | |
| O41 | H60 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 118.6° | 110.4° |
| C03 | C02 | C01 | 90.7° | 108.8° |
| C03 | C02 | C18 | 126.4° | 110.1° |
| C03 | C02 | H7 | 108.6° | 109.9° |
| C02 | C03 | H8 | 107.1° | 109.8° |
| C02 | C03 | H9 | 107.2° | 109.2° |
| C03 | C04 | C44 | 121.8° | 118.0° |
| C03 | C04 | C05 | 120.9° | 119.1° |
| C04 | C03 | H8 | 107.2° | 109.0° |
| C04 | C03 | H9 | 107.1° | 108.9° |
| C01 | C02 | C18 | 112.4° | 108.7° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C01 | C02 | H7 | 108.9° | 109.1° |
| C02 | C18 | O19 | 93.1° | 109.2° |
| C02 | C18 | C17 | 134.0° | 112.0° |
| C18 | C02 | H7 | 108.1° | 110.3° |
| C02 | C18 | H20 | 110.0° | 109.2° |
| C44 | C04 | C05 | 117.1° | 122.8° |
| C04 | C44 | H54 | 109.5° | 109.5° |
| C04 | C44 | H55 | 109.5° | 109.5° |
| C04 | C44 | H56 | 109.5° | 109.5° |
| O19 | C18 | C17 | 91.6° | 109.2° |
| O19 | C18 | H20 | 113.1° | 108.2° |
| C18 | O19 | H57 | 109.5° | 114.0° |
| C04 | C05 | C06 | 117.7° | 129.2° |
| C04 | C05 | H10 | 121.2° | 114.7° |
| C18 | C17 | C20 | 120.9° | 111.2° |
| C18 | C17 | C16 | 106.8° | 111.5° |
| C18 | C17 | H19 | 106.1° | 105.2° |
| C17 | C18 | H20 | 110.0° | 108.8° |
| C20 | C17 | C16 | 109.3° | 116.1° |
| C20 | C17 | H19 | 106.5° | 105.5° |
| C17 | C20 | H21 | 109.5° | 109.5° |
| C17 | C20 | H22 | 109.5° | 109.5° |
| C17 | C20 | H23 | 109.5° | 109.4° |
| C05 | C06 | C07 | 103.1° | 126.1° |
| C06 | C05 | H10 | 121.2° | 116.1° |
| C05 | C06 | H11 | 128.5° | 117.1° |
| C17 | C16 | C15 | 120.2° | 132.3° |
| C17 | C16 | H18 | 119.9° | 115.0° |
| C16 | C17 | H19 | 106.6° | 106.3° |
| C06 | C07 | C08 | 122.0° | 121.4° |
| C07 | C06 | H11 | 128.4° | 116.9° |
| C06 | C07 | H13 | 119.0° | 120.1° |
| C16 | C15 | C21 | 114.0° | 124.5° |
| C16 | C15 | C14 | 115.3° | 114.3° |
| C15 | C16 | H18 | 119.9° | 112.7° |
| C37 | C35 | C36 | 109.1° | 109.5° |
| C37 | C35 | C33 | 109.7° | 109.5° |
| C37 | C35 | H44 | 109.5° | 109.5° |
| C35 | C37 | H48 | 109.5° | 109.5° |
| C35 | C37 | H49 | 109.5° | 109.5° |
| C35 | C37 | H50 | 109.5° | 109.5° |
| C36 | C35 | C33 | 108.9° | 109.5° |
| C36 | C35 | H44 | 109.5° | 109.4° |
| C35 | C36 | H45 | 109.5° | 109.5° |
| C35 | C36 | H46 | 109.5° | 109.5° |
| C35 | C36 | H47 | 109.5° | 109.4° |
| C35 | C33 | O34 | 107.4° | 109.5° |
| C35 | C33 | C32 | 109.0° | 109.4° |
| C35 | C33 | H43 | 111.5° | 109.5° |
| C33 | C35 | H44 | 110.2° | 109.5° |
| C07 | C08 | O42 | 107.1° | 109.3° |
| C07 | C08 | C09 | 114.1° | 110.9° |
| C08 | C07 | H13 | 119.0° | 118.5° |
| C07 | C08 | H15 | 103.3° | 108.9° |
| C21 | C15 | C14 | 130.7° | 121.2° |
| C15 | C21 | H24 | 109.5° | 109.4° |
| C15 | C21 | H25 | 109.5° | 109.5° |
| C15 | C21 | H26 | 109.5° | 109.5° |
| C15 | C14 | C13 | 125.5° | 128.4° |
| C15 | C14 | H17 | 117.2° | 115.5° |
| C43 | O42 | C08 | 108.3° | 114.0° |
| O42 | C43 | H1 | 109.5° | 109.5° |
| O42 | C43 | H2 | 109.5° | 109.4° |
| O42 | C43 | H3 | 109.5° | 109.5° |
| O42 | C08 | C09 | 122.0° | 109.4° |
| O42 | C08 | H15 | 104.9° | 109.2° |
| C38 | C32 | C33 | 103.9° | 109.6° |
| C38 | C32 | C31 | 115.4° | 109.5° |
| C38 | C32 | H42 | 111.3° | 109.5° |
| C32 | C38 | H51 | 109.5° | 109.5° |
| C32 | C38 | H52 | 109.5° | 109.4° |
| C32 | C38 | H53 | 109.5° | 109.5° |
| O34 | C33 | C32 | 106.5° | 109.4° |
| C33 | O34 | C29 | 113.0° | 114.1° |
| O34 | C33 | H43 | 111.2° | 109.5° |
| C33 | C32 | C31 | 99.1° | 109.1° |
| C33 | C32 | H42 | 112.7° | 109.5° |
| C32 | C33 | H43 | 111.0° | 109.5° |
| C08 | C09 | C24 | 122.1° | 109.4° |
| C08 | C09 | O10 | 104.0° | 110.8° |
| C09 | C08 | H15 | 103.4° | 109.0° |
| C08 | C09 | H16 | 109.3° | 109.5° |
| C14 | C13 | O22 | 119.5° | 125.3° |
| C14 | C13 | C11 | 123.7° | 117.4° |
| C13 | C14 | H17 | 117.3° | 116.1° |
| O34 | C29 | O40 | 103.7° | 109.5° |
| O34 | C29 | C27 | 110.6° | 109.5° |
| O34 | C29 | C30 | 113.4° | 109.4° |
| C32 | C31 | O39 | 110.9° | 109.6° |
| C32 | C31 | C30 | 108.0° | 109.0° |
| C32 | C31 | H41 | 109.5° | 109.6° |
| C31 | C32 | H42 | 113.4° | 109.5° |
| C24 | C09 | O10 | 100.2° | 109.3° |
| C09 | C24 | C25 | 111.2° | 109.5° |
| C09 | C24 | C26 | 115.3° | 109.5° |
| C24 | C09 | H16 | 109.6° | 108.7° |
| C09 | C24 | H30 | 110.1° | 109.5° |
| C09 | O10 | C11 | 126.0° | 115.3° |
| O10 | C09 | H16 | 110.8° | 109.1° |
| O22 | C13 | C11 | 116.8° | 117.2° |
| C13 | O22 | C23 | 112.8° | 117.0° |
| C13 | C11 | O10 | 124.0° | 119.8° |
| C13 | C11 | O12 | 117.3° | 120.0° |
| C25 | C24 | C26 | 98.7° | 109.5° |
| C25 | C24 | H30 | 110.6° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C24 | C25 | H32 | 109.4° | 109.5° |
| C24 | C25 | H33 | 109.5° | 109.5° |
| O41 | C26 | C24 | 104.1° | 109.5° |
| O41 | C26 | C27 | 113.2° | 109.5° |
| O41 | C26 | H34 | 111.9° | 109.5° |
| C26 | O41 | H60 | 109.5° | 113.9° |
| C24 | C26 | C27 | 108.7° | 109.5° |
| C26 | C24 | H30 | 110.4° | 109.4° |
| C24 | C26 | H34 | 109.5° | 109.4° |
| C26 | C27 | C29 | 102.7° | 109.5° |
| C26 | C27 | C28 | 111.7° | 109.5° |
| C27 | C26 | H34 | 109.3° | 109.5° |
| C26 | C27 | H35 | 111.6° | 109.5° |
| O40 | C29 | C27 | 106.3° | 109.5° |
| O40 | C29 | C30 | 109.5° | 109.5° |
| C29 | O40 | H59 | 109.5° | 114.0° |
| O39 | C31 | C30 | 110.0° | 109.6° |
| O39 | C31 | H41 | 109.4° | 109.5° |
| C31 | O39 | H58 | 109.5° | 114.0° |
| C31 | C30 | C29 | 106.4° | 109.2° |
| C31 | C30 | H39 | 110.2° | 109.5° |
| C31 | C30 | H40 | 110.3° | 109.5° |
| C30 | C31 | H41 | 109.0° | 109.5° |
| O22 | C23 | H27 | 109.5° | 109.5° |
| O22 | C23 | H28 | 109.5° | 109.5° |
| O22 | C23 | H29 | 109.5° | 109.4° |
| C27 | C29 | C30 | 112.7° | 109.5° |
| C29 | C27 | C28 | 106.7° | 109.5° |
| C29 | C27 | H35 | 111.4° | 109.4° |
| C29 | C30 | H39 | 110.3° | 109.5° |
| C29 | C30 | H40 | 110.2° | 109.5° |
| O10 | C11 | O12 | 118.6° | 120.2° |
| C28 | C27 | H35 | 112.2° | 109.5° |
| C27 | C28 | H36 | 109.5° | 109.5° |
| C27 | C28 | H37 | 109.5° | 109.5° |
| C27 | C28 | H38 | 109.5° | 109.5° |
| H1 | C43 | H2 | 109.5° | 109.5° |
| H1 | C43 | H3 | 109.5° | 109.5° |
| H2 | C43 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.4° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H21 | C20 | H23 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.4° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.4° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.4° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.4° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.4° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H36 | C28 | H38 | 109.5° | 109.4° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H45 | C36 | H46 | 109.5° | 109.5° |
| H45 | C36 | H47 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.4° |
| H48 | C37 | H49 | 109.4° | 109.4° |
| H48 | C37 | H50 | 109.4° | 109.4° |
| H49 | C37 | H50 | 109.4° | 109.5° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H51 | C38 | H53 | 109.4° | 109.4° |
| H52 | C38 | H53 | 109.5° | 109.5° |
| H54 | C44 | H55 | 109.5° | 109.4° |
| H54 | C44 | H56 | 109.4° | 109.5° |
| H55 | C44 | H56 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H8 | 121.3° | 120.7° |
| C02 | C03 | C04 | H9 | 121.3° | 119.9° |
| C03 | C02 | C01 | C18 | 130.3° | 119.8° |
| C03 | C02 | C01 | H7 | 109.9° | 119.9° |
| C03 | C02 | C18 | H7 | 131.1° | 121.5° |
| C02 | C03 | C04 | C44 | 123.7° | 65.9° |
| C03 | C02 | C18 | O19 | 142.0° | 115.4° |
| C02 | C03 | C04 | C05 | 61.8° | 115.7° |
| C03 | C02 | C18 | C17 | 46.8° | 123.4° |
| C03 | C02 | C01 | H4 | 180.0° | 179.7° |
| C03 | C02 | C01 | H5 | 60.0° | 60.2° |
| C03 | C02 | C01 | H6 | 60.0° | 59.8° |
| C02 | C03 | H8 | H9 | 115.9° | 119.9° |
| C03 | C02 | C18 | H20 | 102.1° | 2.8° |
| C04 | C03 | C02 | C01 | 59.2° | 109.1° |
| C04 | C03 | C02 | C18 | 59.6° | 132.0° |
| C03 | C04 | C44 | C05 | 174.7° | 178.3° |
| C03 | C04 | C05 | C06 | 176.7° | 178.7° |
| C04 | C03 | C02 | H7 | 169.5° | 10.4° |
| C04 | C03 | H8 | H9 | 115.8° | 119.1° |
| C03 | C04 | C05 | H10 | 3.3° | 1.6° |
| C03 | C04 | C44 | H54 | 180.0° | 90.0° |
| C03 | C04 | C44 | H55 | 60.0° | 150.0° |
| C03 | C04 | C44 | H56 | 60.0° | 30.0° |
| C01 | C02 | C18 | H7 | 120.3° | 119.6° |
| C01 | C02 | C18 | O19 | 109.4° | 3.6° |
| C01 | C02 | C18 | C17 | 155.4° | 117.6° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C03 | H8 | 62.1° | 130.7° |
| C01 | C02 | C03 | H9 | 179.5° | 10.6° |
| C01 | C02 | C18 | H20 | 6.6° | 121.8° |
| C02 | C18 | O19 | C17 | 134.2° | 122.9° |
| C02 | C18 | O19 | H20 | 113.3° | 118.8° |
| C02 | C18 | C17 | H20 | 148.9° | 120.9° |
| C02 | C18 | C17 | C20 | 42.4° | 80.0° |
| C02 | C18 | C17 | C16 | 83.2° | 51.3° |
| C18 | C02 | C01 | H4 | 49.7° | 59.9° |
| C18 | C02 | C01 | H5 | 169.7° | 180.0° |
| C18 | C02 | C01 | H6 | 70.3° | 60.0° |
| C18 | C02 | C03 | H8 | 179.1° | 11.8° |
| C18 | C02 | C03 | H9 | 61.7° | 108.3° |
| C02 | C18 | C17 | H19 | 163.4° | 166.2° |
| C02 | C18 | O19 | H57 | 180.0° | 180.0° |
| C44 | C04 | C05 | C06 | 1.9° | 3.0° |
| C44 | C04 | C03 | H8 | 2.4° | 173.5° |
| C44 | C04 | C03 | H9 | 115.0° | 54.0° |
| C44 | C04 | C05 | H10 | 178.1° | 176.7° |
| C04 | C44 | H54 | H55 | 120.0° | 120.0° |
| C04 | C44 | H54 | H56 | 120.0° | 120.0° |
| C04 | C44 | H55 | H56 | 120.0° | 120.0° |
| O19 | C18 | C17 | H20 | 115.3° | 118.0° |
| O19 | C18 | C17 | C20 | 53.4° | 41.1° |
| O19 | C18 | C17 | C16 | 179.0° | 172.5° |
| O19 | C18 | C02 | H7 | 10.9° | 123.2° |
| O19 | C18 | C17 | H19 | 67.6° | 72.6° |
| C04 | C05 | C06 | H10 | 180.0° | 179.7° |
| C04 | C05 | C06 | C07 | 178.9° | 38.2° |
| C05 | C04 | C03 | H8 | 176.9° | 4.9° |
| C05 | C04 | C03 | H9 | 59.6° | 124.4° |
| C04 | C05 | C06 | H11 | 1.1° | 141.6° |
| C05 | C04 | C44 | H54 | 5.2° | 91.6° |
| C05 | C04 | C44 | H55 | 125.3° | 28.3° |
| C05 | C04 | C44 | H56 | 114.7° | 148.3° |
| C18 | C17 | C20 | C16 | 124.4° | 129.0° |
| C18 | C17 | C20 | H19 | 120.8° | 113.6° |
| C18 | C17 | C16 | H19 | 113.0° | 114.2° |
| C18 | C17 | C16 | C15 | 136.6° | 97.9° |
| C17 | C18 | C02 | H7 | 84.3° | 2.0° |
| C18 | C17 | C16 | H18 | 43.5° | 79.5° |
| C18 | C17 | C20 | H21 | 180.0° | 68.9° |
| C18 | C17 | C20 | H22 | 60.0° | 51.1° |
| C18 | C17 | C20 | H23 | 60.0° | 171.0° |
| C17 | C18 | O19 | H57 | 45.8° | 57.1° |
| C20 | C17 | C16 | H19 | 114.7° | 117.0° |
| C20 | C17 | C16 | C15 | 91.1° | 31.0° |
| C20 | C17 | C16 | H18 | 88.8° | 151.6° |
| C20 | C17 | C18 | H20 | 168.7° | 159.1° |
| C17 | C20 | H21 | H22 | 120.0° | 120.0° |
| C17 | C20 | H21 | H23 | 120.0° | 120.0° |
| C17 | C20 | H22 | H23 | 120.0° | 120.0° |
| C05 | C06 | C07 | H11 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 177.4° | 179.1° |
| C05 | C06 | C07 | H13 | 2.6° | 1.6° |
| C17 | C16 | C15 | H18 | 180.0° | 177.5° |
| C17 | C16 | C15 | C21 | 1.3° | 4.9° |
| C17 | C16 | C15 | C14 | 178.5° | 173.3° |
| C16 | C17 | C18 | H20 | 65.7° | 69.5° |
| C16 | C17 | C20 | H21 | 55.6° | 60.1° |
| C16 | C17 | C20 | H22 | 64.4° | 179.9° |
| C16 | C17 | C20 | H23 | 175.6° | 60.0° |
| C06 | C07 | C08 | H13 | 180.0° | 179.3° |
| C06 | C07 | C08 | O42 | 14.1° | 42.0° |
| C06 | C07 | C08 | C09 | 124.0° | 78.7° |
| C07 | C06 | C05 | H10 | 1.1° | 142.1° |
| C06 | C07 | C08 | H15 | 124.5° | 161.3° |
| C16 | C15 | C21 | C14 | 179.8° | 178.1° |
| C16 | C15 | C14 | C13 | 139.9° | 164.7° |
| C16 | C15 | C14 | H17 | 40.2° | 13.3° |
| C15 | C16 | C17 | H19 | 23.5° | 147.9° |
| C16 | C15 | C21 | H24 | 180.0° | 175.6° |
| C16 | C15 | C21 | H25 | 60.0° | 55.6° |
| C16 | C15 | C21 | H26 | 60.0° | 64.4° |
| C37 | C35 | C36 | C33 | 119.7° | 120.0° |
| C37 | C35 | C36 | H44 | 119.8° | 120.0° |
| C37 | C35 | C33 | H44 | 120.6° | 120.0° |
| C37 | C35 | C33 | O34 | 48.1° | 62.5° |
| C37 | C35 | C33 | C32 | 163.1° | 177.6° |
| C37 | C35 | C33 | H43 | 74.0° | 57.6° |
| C37 | C35 | C36 | H45 | 180.0° | 60.0° |
| C37 | C35 | C36 | H46 | 60.0° | 179.9° |
| C37 | C35 | C36 | H47 | 60.0° | 60.0° |
| C35 | C37 | H48 | H49 | 120.0° | 120.1° |
| C35 | C37 | H48 | H50 | 120.0° | 120.0° |
| C35 | C37 | H49 | H50 | 120.0° | 120.0° |
| C36 | C35 | C33 | H44 | 120.1° | 120.0° |
| C36 | C35 | C33 | O34 | 71.2° | 57.6° |
| C36 | C35 | C33 | C32 | 43.8° | 62.4° |
| C36 | C35 | C33 | H43 | 166.7° | 177.6° |
| C35 | C36 | H45 | H46 | 120.0° | 120.0° |
| C35 | C36 | H45 | H47 | 120.0° | 120.0° |
| C35 | C36 | H46 | H47 | 120.0° | 119.9° |
| C36 | C35 | C37 | H48 | 180.0° | 64.3° |
| C36 | C35 | C37 | H49 | 60.0° | 175.7° |
| C36 | C35 | C37 | H50 | 60.0° | 55.7° |
| C35 | C33 | C32 | C38 | 52.0° | 62.5° |
| C35 | C33 | O34 | C32 | 116.6° | 119.9° |
| C35 | C33 | O34 | H43 | 122.3° | 120.0° |
| C35 | C33 | C32 | H43 | 123.1° | 120.0° |
| C35 | C33 | O34 | C29 | 175.3° | 178.9° |
| C35 | C33 | C32 | C31 | 171.2° | 177.6° |
| C35 | C33 | C32 | H42 | 68.6° | 57.7° |
| C33 | C35 | C36 | H45 | 60.3° | 180.0° |
| C33 | C35 | C36 | H46 | 59.7° | 59.9° |
| C33 | C35 | C36 | H47 | 179.7° | 60.0° |
| C33 | C35 | C37 | H48 | 60.8° | 55.8° |
| C33 | C35 | C37 | H49 | 179.2° | 64.3° |
| C33 | C35 | C37 | H50 | 59.2° | 175.7° |
| C07 | C08 | O42 | C43 | 90.3° | 90.0° |
| C07 | C08 | O42 | C09 | 134.0° | 121.6° |
| C07 | C08 | O42 | H15 | 109.3° | 119.1° |
| C07 | C08 | C09 | H15 | 111.4° | 119.9° |
| C07 | C08 | C09 | C24 | 138.9° | 179.8° |
| C07 | C08 | C09 | O10 | 109.2° | 59.3° |
| C08 | C07 | C06 | H11 | 2.6° | 0.7° |
| C07 | C08 | C09 | H16 | 9.1° | 61.2° |
| C21 | C15 | C14 | C13 | 39.9° | 13.6° |
| C21 | C15 | C14 | H17 | 140.0° | 168.5° |
| C21 | C15 | C16 | H18 | 178.7° | 177.6° |
| C15 | C21 | H24 | H25 | 120.0° | 120.0° |
| C15 | C21 | H24 | H26 | 120.0° | 120.0° |
| C15 | C21 | H25 | H26 | 120.0° | 120.0° |
| C15 | C14 | C13 | H17 | 180.0° | 177.9° |
| C15 | C14 | C13 | O22 | 3.8° | 4.7° |
| C15 | C14 | C13 | C11 | 178.1° | 172.4° |
| C14 | C15 | C16 | H18 | 1.5° | 4.2° |
| C14 | C15 | C21 | H24 | 0.2° | 2.5° |
| C14 | C15 | C21 | H25 | 120.2° | 122.5° |
| C14 | C15 | C21 | H26 | 119.8° | 117.5° |
| C43 | O42 | C08 | C09 | 135.7° | 148.4° |
| O42 | C43 | H1 | H2 | 120.0° | 120.0° |
| O42 | C43 | H1 | H3 | 120.0° | 120.0° |
| O42 | C43 | H2 | H3 | 120.0° | 120.0° |
| C43 | O42 | C08 | H15 | 19.0° | 29.1° |
| O42 | C08 | C09 | H15 | 117.4° | 119.4° |
| O42 | C08 | C09 | C24 | 7.7° | 59.6° |
| O42 | C08 | C09 | O10 | 119.6° | 179.9° |
| C08 | O42 | C43 | H1 | 180.0° | 60.0° |
| C08 | O42 | C43 | H2 | 60.0° | 60.0° |
| C08 | O42 | C43 | H3 | 60.0° | 180.0° |
| O42 | C08 | C07 | H13 | 165.9° | 138.7° |
| O42 | C08 | C09 | H16 | 122.0° | 59.4° |
| C38 | C32 | C33 | O34 | 167.6° | 177.6° |
| C38 | C32 | C33 | C31 | 119.2° | 119.9° |
| C38 | C32 | C33 | H42 | 120.6° | 120.2° |
| C38 | C32 | C31 | H42 | 130.0° | 120.1° |
| C38 | C32 | C31 | O39 | 49.3° | 63.2° |
| C38 | C32 | C31 | C30 | 170.0° | 176.9° |
| C38 | C32 | C31 | H41 | 71.5° | 57.0° |
| C38 | C32 | C33 | H43 | 71.2° | 57.5° |
| C32 | C38 | H51 | H52 | 120.0° | 120.0° |
| C32 | C38 | H51 | H53 | 120.0° | 120.0° |
| C32 | C38 | H52 | H53 | 120.0° | 120.0° |
| O34 | C33 | C32 | H43 | 121.2° | 120.0° |
| O34 | C33 | C32 | C31 | 73.2° | 57.6° |
| C33 | O34 | C29 | O40 | 74.0° | 58.8° |
| C33 | O34 | C29 | C27 | 172.4° | 178.8° |
| C33 | O34 | C29 | C30 | 44.6° | 61.1° |
| O34 | C33 | C32 | H42 | 47.0° | 62.2° |
| O34 | C33 | C35 | H44 | 168.7° | 177.5° |
| C32 | C33 | O34 | C29 | 58.6° | 61.2° |
| C33 | C32 | C31 | H42 | 119.7° | 119.9° |
| C33 | C32 | C31 | O39 | 159.5° | 176.8° |
| C33 | C32 | C31 | C30 | 79.8° | 56.9° |
| C33 | C32 | C31 | H41 | 38.7° | 62.9° |
| C32 | C33 | C35 | H44 | 76.3° | 57.6° |
| C33 | C32 | C38 | H51 | 180.0° | 172.9° |
| C33 | C32 | C38 | H52 | 60.0° | 67.1° |
| C33 | C32 | C38 | H53 | 60.0° | 52.9° |
| C08 | C09 | C24 | O10 | 113.8° | 121.5° |
| C08 | C09 | C24 | H16 | 129.6° | 119.6° |
| C08 | C09 | O10 | H16 | 117.4° | 120.7° |
| C08 | C09 | C24 | C25 | 99.4° | 65.0° |
| C08 | C09 | C24 | C26 | 11.8° | 175.0° |
| C08 | C09 | O10 | C11 | 73.8° | 89.7° |
| C09 | C08 | C07 | H13 | 55.9° | 100.6° |
| C08 | C09 | C24 | H30 | 137.6° | 55.0° |
| C14 | C13 | O22 | C11 | 178.3° | 177.1° |
| C14 | C13 | O22 | C23 | 174.9° | 114.3° |
| C14 | C13 | C11 | O10 | 93.0° | 163.2° |
| C14 | C13 | C11 | O12 | 92.0° | 16.6° |
| O34 | C29 | C27 | C26 | 50.1° | 55.0° |
| O34 | C29 | O40 | C27 | 116.6° | 120.0° |
| O34 | C29 | O40 | C30 | 121.3° | 119.9° |
| O34 | C29 | C30 | C31 | 45.7° | 57.6° |
| O34 | C29 | C27 | C30 | 128.1° | 120.0° |
| O34 | C29 | C27 | C28 | 167.7° | 175.1° |
| O34 | C29 | C27 | H35 | 69.5° | 65.0° |
| O34 | C29 | C30 | H39 | 73.8° | 177.5° |
| O34 | C29 | C30 | H40 | 165.2° | 62.4° |
| C29 | O34 | C33 | H43 | 62.5° | 58.8° |
| O34 | C29 | O40 | H59 | 180.0° | 60.0° |
| C32 | C31 | O39 | C30 | 119.5° | 119.6° |
| C32 | C31 | O39 | H41 | 120.9° | 120.3° |
| C32 | C31 | C30 | H41 | 118.9° | 120.0° |
| C32 | C31 | C30 | C29 | 65.9° | 56.9° |
| C32 | C31 | C30 | H39 | 53.6° | 176.9° |
| C32 | C31 | C30 | H40 | 174.6° | 63.0° |
| C31 | C32 | C33 | H43 | 48.0° | 62.4° |
| C31 | C32 | C38 | H51 | 72.6° | 53.2° |
| C31 | C32 | C38 | H52 | 167.4° | 173.2° |
| C31 | C32 | C38 | H53 | 47.4° | 66.8° |
| C32 | C31 | O39 | H58 | 180.0° | 179.6° |
| C24 | C09 | O10 | H16 | 115.7° | 118.7° |
| C09 | C24 | C25 | C26 | 121.6° | 120.0° |
| C09 | C24 | C25 | H30 | 122.7° | 120.0° |
| C09 | C24 | C26 | O41 | 51.9° | 60.0° |
| C09 | C24 | C26 | H30 | 125.6° | 120.0° |
| C09 | C24 | C26 | C27 | 172.7° | 180.0° |
| C24 | C09 | O10 | C11 | 159.2° | 149.7° |
| C24 | C09 | C08 | H15 | 109.7° | 59.8° |
| C09 | C24 | C25 | H31 | 180.0° | 180.0° |
| C09 | C24 | C25 | H32 | 60.0° | 60.0° |
| C09 | C24 | C25 | H33 | 60.0° | 60.0° |
| C09 | C24 | C26 | H34 | 67.9° | 60.0° |
| C09 | O10 | C11 | C13 | 20.4° | 114.2° |
| O10 | C09 | C24 | C25 | 146.7° | 56.5° |
| O10 | C09 | C24 | C26 | 102.0° | 63.6° |
| C09 | O10 | C11 | O12 | 164.6° | 65.6° |
| O10 | C09 | C08 | H15 | 2.2° | 60.7° |
| O10 | C09 | C24 | H30 | 23.8° | 176.5° |
| O22 | C13 | C11 | O10 | 88.8° | 14.2° |
| O22 | C13 | C11 | O12 | 86.2° | 166.0° |
| O22 | C13 | C14 | H17 | 176.2° | 177.4° |
| C13 | O22 | C23 | H27 | 180.0° | 174.8° |
| C13 | O22 | C23 | H28 | 60.0° | 54.7° |
| C13 | O22 | C23 | H29 | 60.0° | 65.2° |
| C11 | C13 | O22 | C23 | 6.8° | 68.6° |
| C13 | C11 | O10 | O12 | 175.0° | 179.8° |
| C11 | C13 | C14 | H17 | 2.0° | 5.5° |
| C25 | C24 | C26 | O41 | 170.4° | 180.0° |
| C25 | C24 | C26 | H30 | 115.9° | 120.0° |
| C25 | C24 | C26 | C27 | 68.8° | 60.0° |
| C25 | C24 | C09 | H16 | 30.2° | 175.5° |
| C24 | C25 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | H31 | H33 | 120.0° | 120.0° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| C25 | C24 | C26 | H34 | 50.6° | 60.0° |
| O41 | C26 | C24 | C27 | 120.9° | 120.0° |
| O41 | C26 | C24 | H34 | 119.8° | 120.0° |
| O41 | C26 | C27 | H34 | 125.4° | 120.0° |
| O41 | C26 | C27 | C29 | 89.3° | 60.0° |
| O41 | C26 | C27 | C28 | 24.7° | 60.0° |
| O41 | C26 | C24 | H30 | 73.7° | 60.0° |
| O41 | C26 | C27 | H35 | 151.3° | 180.0° |
| C24 | C26 | C27 | H34 | 119.5° | 120.0° |
| C24 | C26 | C27 | C29 | 155.6° | 180.0° |
| C24 | C26 | C27 | C28 | 90.4° | 60.0° |
| C26 | C24 | C09 | H16 | 141.5° | 55.4° |
| C26 | C24 | C25 | H31 | 58.4° | 60.0° |
| C26 | C24 | C25 | H32 | 178.4° | 180.0° |
| C26 | C24 | C25 | H33 | 61.6° | 60.0° |
| C24 | C26 | C27 | H35 | 36.2° | 60.0° |
| C24 | C26 | O41 | H60 | 180.0° | 60.0° |
| C26 | C27 | C29 | O40 | 61.8° | 65.0° |
| C26 | C27 | C29 | C28 | 117.6° | 120.0° |
| C26 | C27 | C29 | H35 | 119.6° | 120.0° |
| C26 | C27 | C29 | C30 | 178.2° | 175.0° |
| C26 | C27 | C28 | H35 | 126.2° | 120.0° |
| C27 | C26 | C24 | H30 | 47.2° | 60.0° |
| C26 | C27 | C28 | H36 | 180.0° | 60.0° |
| C26 | C27 | C28 | H37 | 60.0° | 60.0° |
| C26 | C27 | C28 | H38 | 60.0° | 180.0° |
| C27 | C26 | O41 | H60 | 62.2° | 60.0° |
| O40 | C29 | C30 | C31 | 69.5° | 62.4° |
| O40 | C29 | C27 | C30 | 120.0° | 120.0° |
| O40 | C29 | C27 | C28 | 55.8° | 55.1° |
| O40 | C29 | C27 | H35 | 178.6° | 175.0° |
| O40 | C29 | C30 | H39 | 171.0° | 57.5° |
| O40 | C29 | C30 | H40 | 50.0° | 177.7° |
| O39 | C31 | C30 | H41 | 119.9° | 120.1° |
| O39 | C31 | C30 | C29 | 172.9° | 176.8° |
| O39 | C31 | C30 | H39 | 67.6° | 63.2° |
| O39 | C31 | C30 | H40 | 53.4° | 56.9° |
| O39 | C31 | C32 | H42 | 80.7° | 56.9° |
| C31 | C30 | C29 | C27 | 172.3° | 177.6° |
| C31 | C30 | C29 | H39 | 119.5° | 119.9° |
| C31 | C30 | C29 | H40 | 119.5° | 119.9° |
| C31 | C30 | H39 | H40 | 121.4° | 120.1° |
| C30 | C31 | C32 | H42 | 39.9° | 63.0° |
| C30 | C31 | O39 | H58 | 60.6° | 60.0° |
| O22 | C23 | H27 | H28 | 120.0° | 120.0° |
| O22 | C23 | H27 | H29 | 120.0° | 120.0° |
| O22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C29 | C27 | C28 | H35 | 122.3° | 120.0° |
| C29 | C27 | C26 | H34 | 36.1° | 60.0° |
| C29 | C27 | C28 | H36 | 68.5° | 60.0° |
| C29 | C27 | C28 | H37 | 51.5° | 180.0° |
| C29 | C27 | C28 | H38 | 171.5° | 59.9° |
| C27 | C29 | C30 | H39 | 52.8° | 62.5° |
| C27 | C29 | C30 | H40 | 68.2° | 57.6° |
| C27 | C29 | O40 | H59 | 63.4° | 180.0° |
| C30 | C29 | C27 | C28 | 64.2° | 65.0° |
| C30 | C29 | C27 | H35 | 58.6° | 55.0° |
| C29 | C30 | H39 | H40 | 121.4° | 120.1° |
| C29 | C30 | C31 | H41 | 53.0° | 63.0° |
| C30 | C29 | O40 | H59 | 58.7° | 59.9° |
| C11 | O10 | C09 | H16 | 43.6° | 31.1° |
| C28 | C27 | C26 | H34 | 150.1° | 180.0° |
| C27 | C28 | H36 | H37 | 120.0° | 120.0° |
| C27 | C28 | H36 | H38 | 120.0° | 120.0° |
| C27 | C28 | H37 | H38 | 120.0° | 120.1° |
| H1 | C43 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H4 | C01 | C02 | H7 | 70.1° | 60.3° |
| H5 | C01 | C02 | H7 | 49.9° | 59.7° |
| H6 | C01 | C02 | H7 | 170.0° | 179.7° |
| H7 | C02 | C03 | H8 | 48.2° | 109.9° |
| H7 | C02 | C03 | H9 | 69.2° | 130.0° |
| H7 | C02 | C18 | H20 | 126.8° | 118.6° |
| H10 | C05 | C06 | H11 | 178.9° | 38.1° |
| H11 | C06 | C07 | H13 | 177.4° | 178.6° |
| H13 | C07 | C08 | H15 | 55.5° | 19.4° |
| H15 | C08 | C09 | H16 | 120.5° | 178.8° |
| H16 | C09 | C24 | H30 | 92.8° | 64.5° |
| H18 | C16 | C17 | H19 | 156.5° | 34.7° |
| H19 | C17 | C18 | H20 | 47.7° | 45.3° |
| H19 | C17 | C20 | H21 | 59.2° | 177.5° |
| H19 | C17 | C20 | H22 | 179.1° | 62.5° |
| H19 | C17 | C20 | H23 | 60.8° | 57.4° |
| H20 | C18 | O19 | H57 | 66.7° | 61.2° |
| H21 | C20 | H22 | H23 | 120.0° | 120.0° |
| H24 | C21 | H25 | H26 | 119.9° | 120.0° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
| H30 | C24 | C25 | H31 | 57.3° | 60.0° |
| H30 | C24 | C25 | H32 | 62.7° | 60.0° |
| H30 | C24 | C25 | H33 | 177.3° | 180.0° |
| H30 | C24 | C26 | H34 | 166.5° | 180.0° |
| H31 | C25 | H32 | H33 | 120.0° | 119.9° |
| H34 | C26 | C27 | H35 | 83.3° | 60.0° |
| H34 | C26 | O41 | H60 | 61.8° | 180.0° |
| H35 | C27 | C28 | H36 | 53.8° | 179.9° |
| H35 | C27 | C28 | H37 | 173.8° | 60.0° |
| H35 | C27 | C28 | H38 | 66.2° | 60.0° |
| H36 | C28 | H37 | H38 | 120.0° | 119.9° |
| H39 | C30 | C31 | H41 | 172.5° | 56.9° |
| H40 | C30 | C31 | H41 | 66.5° | 177.0° |
| H41 | C31 | C32 | H42 | 158.5° | 177.2° |
| H41 | C31 | O39 | H58 | 59.1° | 60.1° |
| H42 | C32 | C33 | H43 | 168.3° | 177.7° |
| H42 | C32 | C38 | H51 | 58.5° | 66.9° |
| H42 | C32 | C38 | H52 | 61.6° | 53.1° |
| H42 | C32 | C38 | H53 | 178.4° | 173.2° |
| H43 | C33 | C35 | H44 | 46.6° | 62.4° |
| H44 | C35 | C36 | H45 | 60.2° | 60.0° |
| H44 | C35 | C36 | H46 | 179.7° | 60.1° |
| H44 | C35 | C36 | H47 | 59.8° | 180.0° |
| H44 | C35 | C37 | H48 | 60.2° | 175.8° |
| H44 | C35 | C37 | H49 | 59.8° | 55.8° |
| H44 | C35 | C37 | H50 | 179.8° | 64.2° |
| H45 | C36 | H46 | H47 | 120.0° | 120.0° |
| H48 | C37 | H49 | H50 | 119.9° | 119.9° |
| H51 | C38 | H52 | H53 | 119.9° | 120.0° |
| H54 | C44 | H55 | H56 | 119.9° | 120.0° |
