ET4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C01 | C25 | sing | 1.53Å | 1.54Å | |
| C01 | C06 | sing | 1.50Å | 1.56Å | |
| C12 | C13 | sing | 1.40Å | 1.54Å | |
| C12 | C11 | doub | 1.38Å | 1.36Å | |
| C03 | O31 | sing | 1.43Å | 1.43Å | |
| C03 | C04 | sing | 1.53Å | 1.59Å | |
| C13 | C14 | doub | 1.38Å | 1.37Å | |
| C13 | C28 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.40Å | 1.51Å | |
| C10 | C11 | sing | 1.40Å | 1.51Å | |
| C10 | C09 | doub | 1.37Å | 1.35Å | |
| C06 | C07 | sing | 1.42Å | 1.49Å | |
| C06 | C05 | doub | 1.32Å | 1.37Å | |
| C41 | C34 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | |
| C07 | C08 | doub | 1.36Å | 1.46Å | |
| C08 | C09 | sing | 1.41Å | 1.54Å | |
| C09 | C27 | sing | 1.51Å | 1.53Å | |
| C42 | C34 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.50Å | 1.54Å | |
| C05 | C24 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.40Å | 1.53Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | |
| C16 | C17 | sing | 1.40Å | 1.52Å | |
| C30 | C18 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.50Å | 1.51Å | |
| C21 | C22 | doub | 1.36Å | 1.38Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.40Å | 1.57Å | |
| C22 | C29 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.43Å | 1.49Å | |
| C23 | C32 | trip | 1.17Å | 1.22Å | |
| C32 | C33 | sing | 1.43Å | 1.44Å | |
| C33 | C38 | doub | 1.32Å | 1.37Å | |
| C36 | O40 | sing | 1.43Å | 1.40Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.50Å | 1.47Å | |
| C38 | C39 | sing | 1.51Å | 1.49Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| O31 | H55 | sing | 0.97Å | 0.95Å | |
| O40 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C01 | C02 | 109.0° | 109.2° |
| C26 | C01 | C25 | 106.8° | 109.4° |
| C26 | C01 | C06 | 108.3° | 109.3° |
| C01 | C26 | H24 | 109.5° | 109.5° |
| C01 | C26 | H25 | 109.5° | 109.5° |
| C01 | C26 | H26 | 109.5° | 109.4° |
| C01 | C02 | C03 | 114.7° | 108.6° |
| C02 | C01 | C25 | 111.3° | 109.4° |
| C02 | C01 | C06 | 108.9° | 110.1° |
| C01 | C02 | H8 | 108.1° | 109.6° |
| C01 | C02 | H9 | 108.1° | 109.6° |
| C02 | C03 | O31 | 109.5° | 109.6° |
| C02 | C03 | C04 | 110.6° | 108.5° |
| C03 | C02 | H8 | 108.2° | 109.6° |
| C03 | C02 | H9 | 108.2° | 109.6° |
| C02 | C03 | H10 | 107.4° | 109.6° |
| C25 | C01 | C06 | 112.5° | 109.4° |
| C01 | C25 | H21 | 109.5° | 109.5° |
| C01 | C25 | H22 | 109.4° | 109.4° |
| C01 | C25 | H23 | 109.5° | 109.5° |
| C01 | C06 | C07 | 126.7° | 118.1° |
| C01 | C06 | C05 | 117.7° | 123.7° |
| C13 | C12 | C11 | 123.9° | 120.0° |
| C12 | C13 | C14 | 123.8° | 120.0° |
| C12 | C13 | C28 | 118.5° | 120.0° |
| C13 | C12 | H3 | 118.1° | 120.0° |
| C12 | C11 | C10 | 130.4° | 120.0° |
| C12 | C11 | H2 | 114.8° | 120.0° |
| C11 | C12 | H3 | 118.0° | 120.0° |
| O31 | C03 | C04 | 113.1° | 109.6° |
| O31 | C03 | H10 | 109.0° | 109.7° |
| C03 | O31 | H55 | 109.5° | 114.0° |
| C03 | C04 | C05 | 115.5° | 110.1° |
| C04 | C03 | H10 | 106.9° | 109.8° |
| C03 | C04 | H11 | 108.0° | 109.4° |
| C03 | C04 | H12 | 107.9° | 109.3° |
| C14 | C13 | C28 | 117.7° | 120.0° |
| C13 | C14 | C15 | 126.6° | 120.1° |
| C13 | C14 | H4 | 116.7° | 120.0° |
| C13 | C28 | H30 | 109.5° | 109.4° |
| C13 | C28 | H31 | 109.4° | 109.5° |
| C13 | C28 | H32 | 109.4° | 109.5° |
| C14 | C15 | C16 | 133.3° | 120.0° |
| C15 | C14 | H4 | 116.7° | 119.9° |
| C14 | C15 | H5 | 113.3° | 119.9° |
| C11 | C10 | C09 | 123.7° | 120.0° |
| C11 | C10 | H1 | 118.1° | 120.1° |
| C10 | C11 | H2 | 114.9° | 120.0° |
| C10 | C09 | C08 | 125.3° | 120.0° |
| C10 | C09 | C27 | 115.4° | 120.0° |
| C09 | C10 | H1 | 118.1° | 120.0° |
| C07 | C06 | C05 | 115.6° | 118.2° |
| C06 | C07 | C08 | 125.9° | 120.0° |
| C06 | C07 | H13 | 117.1° | 120.0° |
| C06 | C05 | C04 | 119.8° | 123.7° |
| C06 | C05 | C24 | 119.6° | 118.2° |
| C41 | C34 | C42 | 112.5° | 109.3° |
| C41 | C34 | C35 | 105.1° | 109.3° |
| C41 | C34 | C33 | 109.2° | 109.3° |
| C34 | C41 | H49 | 109.5° | 109.5° |
| C34 | C41 | H50 | 109.4° | 109.5° |
| C34 | C41 | H51 | 109.5° | 109.4° |
| C15 | C16 | C17 | 126.1° | 120.0° |
| C16 | C15 | H5 | 113.3° | 120.0° |
| C15 | C16 | H7 | 116.9° | 120.0° |
| C07 | C08 | C09 | 126.2° | 120.0° |
| C08 | C07 | H13 | 117.1° | 120.0° |
| C07 | C08 | H14 | 116.9° | 120.0° |
| C08 | C09 | C27 | 119.3° | 120.0° |
| C09 | C08 | H14 | 116.9° | 120.0° |
| C09 | C27 | H27 | 109.5° | 109.5° |
| C09 | C27 | H28 | 109.5° | 109.5° |
| C09 | C27 | H29 | 109.5° | 109.5° |
| C42 | C34 | C35 | 106.6° | 109.4° |
| C42 | C34 | C33 | 105.9° | 109.4° |
| C34 | C42 | H52 | 109.5° | 109.4° |
| C34 | C42 | H53 | 109.5° | 109.5° |
| C34 | C42 | H54 | 109.4° | 109.4° |
| C04 | C05 | C24 | 117.0° | 118.1° |
| C05 | C04 | H11 | 108.0° | 109.4° |
| C05 | C04 | H12 | 108.0° | 109.2° |
| C05 | C24 | H18 | 109.5° | 109.5° |
| C05 | C24 | H19 | 109.5° | 109.5° |
| C05 | C24 | H20 | 109.5° | 109.5° |
| C21 | C20 | C19 | 126.6° | 120.0° |
| C20 | C21 | C22 | 132.4° | 120.0° |
| C21 | C20 | H16 | 116.7° | 120.0° |
| C20 | C21 | H17 | 113.8° | 120.0° |
| C20 | C19 | C18 | 130.1° | 120.0° |
| C20 | C19 | H15 | 115.0° | 119.9° |
| C19 | C20 | H16 | 116.7° | 119.9° |
| C16 | C17 | C18 | 128.8° | 120.0° |
| C16 | C17 | H6 | 115.6° | 120.0° |
| C17 | C16 | H7 | 116.9° | 120.0° |
| C30 | C18 | C17 | 115.5° | 120.0° |
| C30 | C18 | C19 | 118.3° | 120.0° |
| C18 | C30 | H36 | 109.5° | 109.5° |
| C18 | C30 | H37 | 109.4° | 109.4° |
| C18 | C30 | H38 | 109.5° | 109.5° |
| C35 | C34 | C33 | 117.7° | 110.1° |
| C34 | C35 | C36 | 110.3° | 108.5° |
| C34 | C35 | H40 | 109.3° | 109.7° |
| C34 | C35 | H41 | 109.3° | 109.6° |
| C34 | C33 | C32 | 114.6° | 118.1° |
| C34 | C33 | C38 | 121.2° | 123.7° |
| C21 | C22 | C29 | 111.1° | 120.0° |
| C21 | C22 | C23 | 121.8° | 120.0° |
| C22 | C21 | H17 | 113.8° | 120.0° |
| C17 | C18 | C19 | 126.1° | 120.0° |
| C18 | C17 | H6 | 115.6° | 120.0° |
| C35 | C36 | O40 | 117.1° | 109.6° |
| C35 | C36 | C37 | 106.1° | 108.5° |
| C36 | C35 | H40 | 109.3° | 109.6° |
| C36 | C35 | H41 | 109.3° | 109.6° |
| C35 | C36 | H42 | 107.6° | 109.6° |
| C18 | C19 | H15 | 115.0° | 120.0° |
| C29 | C22 | C23 | 127.2° | 120.0° |
| C22 | C29 | H33 | 109.5° | 109.4° |
| C22 | C29 | H34 | 109.5° | 109.5° |
| C22 | C29 | H35 | 109.5° | 109.5° |
| C22 | C23 | C32 | 179.3° | 179.9° |
| C23 | C32 | C33 | 179.9° | 180.0° |
| C32 | C33 | C38 | 124.2° | 118.2° |
| C33 | C38 | C37 | 117.2° | 123.7° |
| C33 | C38 | C39 | 127.0° | 118.2° |
| O40 | C36 | C37 | 109.2° | 109.6° |
| O40 | C36 | H42 | 109.0° | 109.6° |
| C36 | O40 | H56 | 109.5° | 114.0° |
| C36 | C37 | C38 | 115.2° | 110.0° |
| C37 | C36 | H42 | 107.3° | 109.7° |
| C36 | C37 | H43 | 108.0° | 109.3° |
| C36 | C37 | H44 | 108.0° | 109.4° |
| C37 | C38 | C39 | 114.5° | 118.1° |
| C38 | C37 | H43 | 108.0° | 109.6° |
| C38 | C37 | H44 | 108.0° | 109.1° |
| C38 | C39 | H46 | 109.5° | 109.5° |
| C38 | C39 | H47 | 109.5° | 109.5° |
| C38 | C39 | H48 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.8° |
| H11 | C04 | H12 | 109.5° | 109.4° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.4° | 109.5° |
| H24 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.4° | 109.5° |
| H27 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.4° |
| H30 | C28 | H32 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.4° | 109.4° |
| H33 | C29 | H35 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H38 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.5° |
| H40 | C35 | H41 | 109.4° | 109.8° |
| H43 | C37 | H44 | 109.5° | 109.4° |
| H46 | C39 | H47 | 109.4° | 109.5° |
| H46 | C39 | H48 | 109.4° | 109.4° |
| H47 | C39 | H48 | 109.5° | 109.5° |
| H49 | C41 | H50 | 109.5° | 109.5° |
| H49 | C41 | H51 | 109.4° | 109.5° |
| H50 | C41 | H51 | 109.5° | 109.5° |
| H52 | C42 | H53 | 109.4° | 109.4° |
| H52 | C42 | H54 | 109.5° | 109.5° |
| H53 | C42 | H54 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C01 | C02 | C25 | 117.5° | 119.7° |
| C26 | C01 | C02 | C06 | 117.9° | 120.1° |
| C26 | C01 | C02 | C03 | 177.3° | 70.3° |
| C26 | C01 | C25 | C06 | 118.7° | 119.7° |
| C26 | C01 | C06 | C07 | 26.2° | 77.1° |
| C26 | C01 | C06 | C05 | 153.3° | 102.9° |
| C26 | C01 | C02 | H8 | 61.9° | 170.0° |
| C26 | C01 | C02 | H9 | 56.5° | 49.4° |
| C26 | C01 | C25 | H21 | 180.0° | 54.1° |
| C26 | C01 | C25 | H22 | 60.0° | 65.9° |
| C26 | C01 | C25 | H23 | 60.0° | 174.2° |
| C01 | C26 | H24 | H25 | 120.0° | 120.0° |
| C01 | C26 | H24 | H26 | 120.0° | 120.0° |
| C01 | C26 | H25 | H26 | 120.0° | 119.9° |
| C01 | C02 | C03 | H8 | 120.8° | 119.7° |
| C01 | C02 | C03 | H9 | 120.8° | 119.7° |
| C02 | C01 | C25 | C06 | 122.5° | 120.7° |
| C01 | C02 | C03 | O31 | 93.0° | 172.1° |
| C01 | C02 | C03 | C04 | 32.3° | 68.2° |
| C02 | C01 | C06 | C07 | 144.5° | 162.8° |
| C02 | C01 | C06 | C05 | 35.0° | 17.1° |
| C01 | C02 | H8 | H9 | 117.6° | 120.5° |
| C01 | C02 | C03 | H10 | 148.7° | 51.6° |
| C02 | C01 | C25 | H21 | 61.2° | 173.8° |
| C02 | C01 | C25 | H22 | 178.8° | 53.7° |
| C02 | C01 | C25 | H23 | 58.8° | 66.2° |
| C02 | C01 | C26 | H24 | 180.0° | 179.7° |
| C02 | C01 | C26 | H25 | 60.0° | 60.3° |
| C02 | C01 | C26 | H26 | 60.0° | 59.6° |
| C03 | C02 | C01 | C25 | 65.2° | 170.1° |
| C03 | C02 | C01 | C06 | 59.4° | 49.8° |
| C02 | C03 | O31 | C04 | 123.9° | 119.0° |
| C02 | C03 | O31 | H10 | 117.3° | 120.4° |
| C02 | C03 | C04 | H10 | 116.7° | 119.8° |
| C02 | C03 | C04 | C05 | 16.6° | 49.9° |
| C03 | C02 | H8 | H9 | 117.7° | 120.5° |
| C02 | C03 | C04 | H11 | 104.3° | 70.4° |
| C02 | C03 | C04 | H12 | 137.4° | 169.9° |
| C02 | C03 | O31 | H55 | 180.0° | 180.0° |
| C25 | C01 | C06 | C07 | 91.6° | 42.6° |
| C25 | C01 | C06 | C05 | 88.9° | 137.4° |
| C25 | C01 | C02 | H8 | 55.6° | 50.4° |
| C25 | C01 | C02 | H9 | 174.1° | 70.2° |
| C01 | C25 | H21 | H22 | 120.0° | 120.0° |
| C01 | C25 | H21 | H23 | 120.0° | 120.0° |
| C01 | C25 | H22 | H23 | 120.0° | 120.0° |
| C25 | C01 | C26 | H24 | 59.7° | 60.0° |
| C25 | C01 | C26 | H25 | 179.7° | 180.0° |
| C25 | C01 | C26 | H26 | 60.3° | 60.1° |
| C01 | C06 | C07 | C05 | 179.5° | 179.9° |
| C01 | C06 | C07 | C08 | 40.8° | 122.6° |
| C01 | C06 | C05 | C04 | 14.4° | 0.4° |
| C01 | C06 | C05 | C24 | 172.2° | 179.6° |
| C06 | C01 | C02 | H8 | 179.8° | 69.9° |
| C06 | C01 | C02 | H9 | 61.4° | 169.5° |
| C01 | C06 | C07 | H13 | 139.2° | 57.4° |
| C06 | C01 | C25 | H21 | 61.3° | 65.6° |
| C06 | C01 | C25 | H22 | 58.7° | 174.4° |
| C06 | C01 | C25 | H23 | 178.7° | 54.5° |
| C06 | C01 | C26 | H24 | 61.7° | 59.8° |
| C06 | C01 | C26 | H25 | 58.2° | 60.3° |
| C06 | C01 | C26 | H26 | 178.2° | 179.8° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C12 | C13 | C14 | C28 | 178.8° | 179.9° |
| C12 | C13 | C14 | C15 | 178.9° | 180.0° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C13 | C12 | C11 | H2 | 0.3° | 0.0° |
| C12 | C13 | C14 | H4 | 1.1° | 0.1° |
| C12 | C13 | C28 | H30 | 180.0° | 90.0° |
| C12 | C13 | C28 | H31 | 60.0° | 150.0° |
| C12 | C13 | C28 | H32 | 60.0° | 29.9° |
| C11 | C12 | C13 | C14 | 117.6° | 180.0° |
| C11 | C12 | C13 | C28 | 61.2° | 0.0° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 142.0° | 180.0° |
| C12 | C11 | C10 | H1 | 38.0° | 0.3° |
| O31 | C03 | C04 | H10 | 120.0° | 120.5° |
| O31 | C03 | C04 | C05 | 139.9° | 169.6° |
| O31 | C03 | C02 | H8 | 27.8° | 68.2° |
| O31 | C03 | C02 | H9 | 146.2° | 52.4° |
| O31 | C03 | C04 | H11 | 19.0° | 49.3° |
| O31 | C03 | C04 | H12 | 99.3° | 70.4° |
| C03 | C04 | C05 | C06 | 42.7° | 17.2° |
| C03 | C04 | C05 | H11 | 120.9° | 120.3° |
| C03 | C04 | C05 | H12 | 120.9° | 120.0° |
| C03 | C04 | C05 | C24 | 158.9° | 162.8° |
| C04 | C03 | C02 | H8 | 153.1° | 51.5° |
| C04 | C03 | C02 | H9 | 88.4° | 172.1° |
| C03 | C04 | H11 | H12 | 117.2° | 119.7° |
| C04 | C03 | O31 | H55 | 56.1° | 61.0° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 129.4° | 180.0° |
| C14 | C13 | C12 | H3 | 62.4° | 0.0° |
| C13 | C14 | C15 | H5 | 50.6° | 0.0° |
| C14 | C13 | C28 | H30 | 1.1° | 90.0° |
| C14 | C13 | C28 | H31 | 121.1° | 29.9° |
| C14 | C13 | C28 | H32 | 118.9° | 150.0° |
| C28 | C13 | C14 | C15 | 0.1° | 0.1° |
| C28 | C13 | C12 | H3 | 118.8° | 180.0° |
| C28 | C13 | C14 | H4 | 179.9° | 180.0° |
| C13 | C28 | H30 | H31 | 120.0° | 120.0° |
| C13 | C28 | H30 | H32 | 120.0° | 120.0° |
| C13 | C28 | H31 | H32 | 120.0° | 120.1° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 178.8° | 180.0° |
| C14 | C15 | C16 | H7 | 1.2° | 0.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 179.4° | 180.0° |
| C11 | C10 | C09 | C27 | 0.7° | 0.0° |
| C10 | C11 | C12 | H3 | 0.3° | 0.0° |
| C10 | C09 | C08 | C07 | 28.9° | 180.0° |
| C10 | C09 | C08 | C27 | 179.9° | 180.0° |
| C09 | C10 | C11 | H2 | 38.0° | 0.0° |
| C10 | C09 | C08 | H14 | 151.1° | 0.0° |
| C10 | C09 | C27 | H27 | 180.0° | 90.0° |
| C10 | C09 | C27 | H28 | 60.0° | 150.0° |
| C10 | C09 | C27 | H29 | 60.0° | 30.0° |
| C06 | C07 | C08 | H13 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 179.7° | 174.1° |
| C07 | C06 | C05 | C04 | 166.1° | 179.5° |
| C07 | C06 | C05 | C24 | 8.3° | 0.4° |
| C06 | C07 | C08 | H14 | 0.4° | 6.0° |
| C05 | C06 | C07 | C08 | 139.7° | 57.4° |
| C06 | C05 | C04 | C24 | 158.4° | 180.0° |
| C06 | C05 | C04 | H11 | 78.2° | 103.0° |
| C06 | C05 | C04 | H12 | 163.6° | 137.3° |
| C05 | C06 | C07 | H13 | 40.3° | 122.6° |
| C06 | C05 | C24 | H18 | 180.0° | 177.1° |
| C06 | C05 | C24 | H19 | 60.0° | 57.1° |
| C06 | C05 | C24 | H20 | 60.0° | 62.9° |
| C41 | C34 | C42 | C35 | 114.7° | 119.7° |
| C41 | C34 | C42 | C33 | 119.2° | 119.6° |
| C41 | C34 | C35 | C33 | 121.8° | 120.1° |
| C41 | C34 | C35 | C36 | 156.8° | 170.0° |
| C41 | C34 | C33 | C32 | 53.9° | 42.7° |
| C41 | C34 | C33 | C38 | 127.7° | 137.7° |
| C41 | C34 | C35 | H40 | 36.6° | 50.3° |
| C41 | C34 | C35 | H41 | 83.1° | 70.3° |
| C34 | C41 | H49 | H50 | 120.0° | 120.0° |
| C34 | C41 | H49 | H51 | 120.0° | 120.0° |
| C34 | C41 | H50 | H51 | 120.0° | 119.9° |
| C41 | C34 | C42 | H52 | 180.0° | 59.7° |
| C41 | C34 | C42 | H53 | 60.0° | 60.3° |
| C41 | C34 | C42 | H54 | 60.0° | 179.6° |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 130.0° | 180.0° |
| C16 | C15 | C14 | H4 | 50.7° | 0.1° |
| C15 | C16 | C17 | H6 | 50.0° | 0.0° |
| C07 | C08 | C09 | H14 | 180.0° | 180.0° |
| C07 | C08 | C09 | C27 | 151.2° | 0.0° |
| C08 | C09 | C10 | H1 | 0.6° | 0.3° |
| C09 | C08 | C07 | H13 | 0.3° | 5.9° |
| C08 | C09 | C27 | H27 | 0.1° | 90.0° |
| C08 | C09 | C27 | H28 | 120.1° | 30.0° |
| C08 | C09 | C27 | H29 | 119.9° | 150.0° |
| C27 | C09 | C10 | H1 | 179.3° | 179.8° |
| C27 | C09 | C08 | H14 | 28.8° | 179.9° |
| C09 | C27 | H27 | H28 | 120.0° | 120.0° |
| C09 | C27 | H27 | H29 | 120.0° | 120.1° |
| C09 | C27 | H28 | H29 | 120.0° | 120.0° |
| C42 | C34 | C35 | C33 | 118.6° | 120.2° |
| C42 | C34 | C35 | C36 | 83.6° | 70.3° |
| C42 | C34 | C33 | C32 | 67.4° | 76.9° |
| C42 | C34 | C33 | C38 | 111.0° | 102.7° |
| C42 | C34 | C35 | H40 | 156.3° | 169.9° |
| C42 | C34 | C35 | H41 | 36.5° | 49.3° |
| C42 | C34 | C41 | H49 | 180.0° | 179.7° |
| C42 | C34 | C41 | H50 | 60.0° | 60.3° |
| C42 | C34 | C41 | H51 | 60.0° | 59.7° |
| C34 | C42 | H52 | H53 | 120.0° | 120.0° |
| C34 | C42 | H52 | H54 | 120.0° | 119.9° |
| C34 | C42 | H53 | H54 | 120.0° | 120.0° |
| C05 | C04 | C03 | H10 | 100.1° | 69.9° |
| C05 | C04 | H11 | H12 | 117.3° | 119.6° |
| C04 | C05 | C24 | H18 | 21.6° | 2.9° |
| C04 | C05 | C24 | H19 | 141.6° | 122.9° |
| C04 | C05 | C24 | H20 | 98.4° | 117.1° |
| C24 | C05 | C04 | H11 | 80.2° | 76.9° |
| C24 | C05 | C04 | H12 | 38.1° | 42.8° |
| C05 | C24 | H18 | H19 | 120.0° | 120.0° |
| C05 | C24 | H18 | H20 | 120.0° | 120.0° |
| C05 | C24 | H19 | H20 | 120.0° | 120.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.9° |
| C20 | C21 | C22 | H17 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 179.0° | 180.0° |
| C20 | C21 | C22 | C29 | 0.4° | 0.1° |
| C20 | C21 | C22 | C23 | 179.7° | 180.0° |
| C21 | C20 | C19 | H15 | 1.0° | 0.1° |
| C20 | C19 | C18 | C30 | 60.4° | 0.1° |
| C19 | C20 | C21 | C22 | 103.1° | 180.0° |
| C20 | C19 | C18 | C17 | 119.3° | 180.0° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C19 | C20 | C21 | H17 | 76.8° | 0.0° |
| C16 | C17 | C18 | C30 | 0.4° | 0.0° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C17 | C16 | C15 | H5 | 1.2° | 0.0° |
| C30 | C18 | C17 | C19 | 179.7° | 180.0° |
| C30 | C18 | C17 | H6 | 179.5° | 180.0° |
| C30 | C18 | C19 | H15 | 119.6° | 180.0° |
| C18 | C30 | H36 | H37 | 120.0° | 119.9° |
| C18 | C30 | H36 | H38 | 120.0° | 120.0° |
| C18 | C30 | H37 | H38 | 120.0° | 120.0° |
| C34 | C35 | C36 | H40 | 120.2° | 119.8° |
| C34 | C35 | C36 | H41 | 120.1° | 119.7° |
| C35 | C34 | C33 | C32 | 173.6° | 162.8° |
| C35 | C34 | C33 | C38 | 8.0° | 17.6° |
| C34 | C35 | C36 | O40 | 179.5° | 172.0° |
| C34 | C35 | C36 | C37 | 58.4° | 68.2° |
| C34 | C35 | H40 | H41 | 119.6° | 120.5° |
| C34 | C35 | C36 | H42 | 56.3° | 51.6° |
| C35 | C34 | C41 | H49 | 64.3° | 59.9° |
| C35 | C34 | C41 | H50 | 175.6° | 180.0° |
| C35 | C34 | C41 | H51 | 55.6° | 60.0° |
| C35 | C34 | C42 | H52 | 65.3° | 60.0° |
| C35 | C34 | C42 | H53 | 54.7° | 179.9° |
| C35 | C34 | C42 | H54 | 174.7° | 59.9° |
| C33 | C34 | C35 | C36 | 35.0° | 49.9° |
| C34 | C33 | C32 | C23 | 158.1° | 176.1° |
| C34 | C33 | C32 | C38 | 178.4° | 179.7° |
| C34 | C33 | C38 | C37 | 7.6° | 1.0° |
| C34 | C33 | C38 | C39 | 159.1° | 179.3° |
| C33 | C34 | C35 | H40 | 85.1° | 69.8° |
| C33 | C34 | C35 | H41 | 155.2° | 169.6° |
| C33 | C34 | C41 | H49 | 62.8° | 60.7° |
| C33 | C34 | C41 | H50 | 57.2° | 59.4° |
| C33 | C34 | C41 | H51 | 177.2° | 179.3° |
| C33 | C34 | C42 | H52 | 60.8° | 179.3° |
| C33 | C34 | C42 | H53 | 179.2° | 59.3° |
| C33 | C34 | C42 | H54 | 59.2° | 60.8° |
| C21 | C22 | C29 | C23 | 179.3° | 179.9° |
| C21 | C22 | C23 | C32 | 68.6° | 75.3° |
| C22 | C21 | C20 | H16 | 76.9° | 0.1° |
| C21 | C22 | C29 | H33 | 180.0° | 90.1° |
| C21 | C22 | C29 | H34 | 60.0° | 150.0° |
| C21 | C22 | C29 | H35 | 60.0° | 29.9° |
| C18 | C17 | C16 | H7 | 50.0° | 0.0° |
| C17 | C18 | C19 | H15 | 60.8° | 0.1° |
| C17 | C18 | C30 | H36 | 180.0° | 90.0° |
| C17 | C18 | C30 | H37 | 60.0° | 30.0° |
| C17 | C18 | C30 | H38 | 60.0° | 150.0° |
| C35 | C36 | O40 | C37 | 120.6° | 119.1° |
| C35 | C36 | O40 | H42 | 122.5° | 120.4° |
| C35 | C36 | C37 | H42 | 114.9° | 119.8° |
| C35 | C36 | C37 | C38 | 61.1° | 50.0° |
| C36 | C35 | H40 | H41 | 119.6° | 120.5° |
| C35 | C36 | C37 | H43 | 59.7° | 70.3° |
| C35 | C36 | C37 | H44 | 178.0° | 169.9° |
| C35 | C36 | O40 | H56 | 180.0° | 180.0° |
| C19 | C18 | C17 | H6 | 0.1° | 0.0° |
| C18 | C19 | C20 | H16 | 1.0° | 0.1° |
| C19 | C18 | C30 | H36 | 0.3° | 90.0° |
| C19 | C18 | C30 | H37 | 120.3° | 150.0° |
| C19 | C18 | C30 | H38 | 119.7° | 30.1° |
| C29 | C22 | C23 | C32 | 110.6° | 104.8° |
| C29 | C22 | C21 | H17 | 179.6° | 180.0° |
| C22 | C29 | H33 | H34 | 120.0° | 120.0° |
| C22 | C29 | H33 | H35 | 120.0° | 120.0° |
| C22 | C29 | H34 | H35 | 120.0° | 120.1° |
| C22 | C23 | C32 | C33 | 67.0° | 108.3° |
| C23 | C22 | C21 | H17 | 0.3° | 0.0° |
| C23 | C22 | C29 | H33 | 0.7° | 90.0° |
| C23 | C22 | C29 | H34 | 119.2° | 29.9° |
| C23 | C22 | C29 | H35 | 120.8° | 150.0° |
| C23 | C32 | C33 | C38 | 23.6° | 3.6° |
| C32 | C33 | C38 | C37 | 174.2° | 179.3° |
| C32 | C33 | C38 | C39 | 19.2° | 0.4° |
| C33 | C38 | C37 | C36 | 35.2° | 17.7° |
| C33 | C38 | C37 | C39 | 168.3° | 179.7° |
| C33 | C38 | C37 | H43 | 85.6° | 102.5° |
| C33 | C38 | C37 | H44 | 156.1° | 137.7° |
| C33 | C38 | C39 | H46 | 180.0° | 89.9° |
| C33 | C38 | C39 | H47 | 60.0° | 150.0° |
| C33 | C38 | C39 | H48 | 60.0° | 30.0° |
| O40 | C36 | C37 | H42 | 118.1° | 120.5° |
| O40 | C36 | C37 | C38 | 171.8° | 169.8° |
| O40 | C36 | C35 | H40 | 60.4° | 68.2° |
| O40 | C36 | C35 | H41 | 59.3° | 52.4° |
| O40 | C36 | C37 | H43 | 67.4° | 49.4° |
| O40 | C36 | C37 | H44 | 51.0° | 70.4° |
| C36 | C37 | C38 | H43 | 120.8° | 120.2° |
| C36 | C37 | C38 | H44 | 120.9° | 120.0° |
| C36 | C37 | C38 | C39 | 133.1° | 162.6° |
| C37 | C36 | C35 | H40 | 61.8° | 51.5° |
| C37 | C36 | C35 | H41 | 178.5° | 172.1° |
| C36 | C37 | H43 | H44 | 117.4° | 119.7° |
| C37 | C36 | O40 | H56 | 59.4° | 60.9° |
| C38 | C37 | C36 | H42 | 53.8° | 69.7° |
| C38 | C37 | H43 | H44 | 117.4° | 119.6° |
| C37 | C38 | C39 | H46 | 13.0° | 89.8° |
| C37 | C38 | C39 | H47 | 107.0° | 30.3° |
| C37 | C38 | C39 | H48 | 133.0° | 150.3° |
| C39 | C38 | C37 | H43 | 106.0° | 77.2° |
| C39 | C38 | C37 | H44 | 12.3° | 42.6° |
| C38 | C39 | H46 | H47 | 120.0° | 120.1° |
| C38 | C39 | H46 | H48 | 120.0° | 120.0° |
| C38 | C39 | H47 | H48 | 120.0° | 120.0° |
| H1 | C10 | C11 | H2 | 142.0° | 179.8° |
| H2 | C11 | C12 | H3 | 179.7° | 180.0° |
| H4 | C14 | C15 | H5 | 129.3° | 179.9° |
| H5 | C15 | C16 | H7 | 178.8° | 180.0° |
| H6 | C17 | C16 | H7 | 130.0° | 180.0° |
| H8 | C02 | C03 | H10 | 90.5° | 171.3° |
| H9 | C02 | C03 | H10 | 27.9° | 68.1° |
| H10 | C03 | C04 | H11 | 139.0° | 169.8° |
| H10 | C03 | C04 | H12 | 20.8° | 50.1° |
| H10 | C03 | O31 | H55 | 62.7° | 59.6° |
| H13 | C07 | C08 | H14 | 179.7° | 174.0° |
| H15 | C19 | C20 | H16 | 179.0° | 180.0° |
| H16 | C20 | C21 | H17 | 103.1° | 179.9° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C26 | H25 | H26 | 120.0° | 120.1° |
| H27 | C27 | H28 | H29 | 120.0° | 120.0° |
| H30 | C28 | H31 | H32 | 120.0° | 120.0° |
| H33 | C29 | H34 | H35 | 120.0° | 120.0° |
| H36 | C30 | H37 | H38 | 120.0° | 120.1° |
| H40 | C35 | C36 | H42 | 176.4° | 171.4° |
| H41 | C35 | C36 | H42 | 63.9° | 68.1° |
| H42 | C36 | C37 | H43 | 174.6° | 169.9° |
| H42 | C36 | C37 | H44 | 67.1° | 50.1° |
| H42 | C36 | O40 | H56 | 57.5° | 59.6° |
| H46 | C39 | H47 | H48 | 120.0° | 119.9° |
| H49 | C41 | H50 | H51 | 120.0° | 120.0° |
| H52 | C42 | H53 | H54 | 120.0° | 120.0° |
