YI3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C01 | sing | 1.43Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.57Å | |
| C01 | C10 | sing | 1.53Å | 1.54Å | |
| C03 | O02 | sing | 1.43Å | 1.43Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C10 | C05 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | sing | 1.51Å | 1.56Å | |
| C05 | C06 | doub | 1.33Å | 1.40Å | |
| C06 | C07 | sing | 1.47Å | 1.41Å | |
| C07 | C08 | doub | 1.33Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.56Å | 1.54Å | |
| C08 | C14 | sing | 1.50Å | 1.57Å | |
| C08 | C09 | sing | 1.52Å | 1.57Å | |
| C18 | C13 | sing | 1.53Å | 1.59Å | |
| C14 | C13 | sing | 1.56Å | 1.57Å | |
| C16 | C17 | sing | 1.55Å | 1.56Å | |
| C09 | C28 | sing | 1.53Å | 1.55Å | |
| C09 | C11 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.52Å | 1.58Å | |
| C13 | C12 | sing | 1.51Å | 1.57Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.58Å | |
| C17 | C20 | sing | 1.53Å | 1.59Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | O03 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | 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 | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C07 | H41 | sing | 1.08Å | 1.08Å | |
| C06 | H42 | sing | 1.08Å | 1.08Å | |
| C10 | H43 | sing | 1.09Å | 1.10Å | |
| C10 | H44 | sing | 1.09Å | 1.10Å | |
| C04 | H45 | sing | 1.09Å | 1.10Å | |
| C04 | H46 | sing | 1.09Å | 1.10Å | |
| C03 | H47 | sing | 1.09Å | 1.10Å | |
| O02 | H48 | sing | 0.97Å | 0.95Å | |
| C02 | H49 | sing | 1.09Å | 1.10Å | |
| C02 | H50 | sing | 1.09Å | 1.10Å | |
| C01 | H51 | sing | 1.09Å | 1.10Å | |
| O01 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C01 | C02 | 110.1° | 109.5° |
| O01 | C01 | C10 | 108.3° | 109.6° |
| O01 | C01 | H51 | 110.6° | 109.5° |
| C01 | O01 | H52 | 109.5° | 114.0° |
| C01 | C02 | C03 | 111.8° | 109.7° |
| C02 | C01 | C10 | 109.9° | 109.5° |
| C01 | C02 | H49 | 108.9° | 109.5° |
| C01 | C02 | H50 | 108.9° | 109.4° |
| C02 | C01 | H51 | 108.8° | 109.5° |
| C02 | C03 | O02 | 108.9° | 109.5° |
| C02 | C03 | C04 | 112.6° | 109.4° |
| C02 | C03 | H47 | 108.2° | 109.5° |
| C03 | C02 | H49 | 108.9° | 109.3° |
| C03 | C02 | H50 | 108.9° | 109.7° |
| C01 | C10 | C05 | 111.5° | 108.5° |
| C01 | C10 | H43 | 109.0° | 109.6° |
| C01 | C10 | H44 | 109.0° | 109.8° |
| C10 | C01 | H51 | 109.1° | 109.3° |
| O02 | C03 | C04 | 108.9° | 109.5° |
| O02 | C03 | H47 | 110.0° | 109.5° |
| C03 | O02 | H48 | 109.5° | 114.0° |
| C03 | C04 | C05 | 112.6° | 108.6° |
| C03 | C04 | H45 | 108.7° | 109.6° |
| C03 | C04 | H46 | 108.7° | 109.8° |
| C04 | C03 | H47 | 108.2° | 109.5° |
| C10 | C05 | C04 | 115.4° | 118.3° |
| C10 | C05 | C06 | 126.0° | 120.8° |
| C05 | C10 | H43 | 109.0° | 109.6° |
| C05 | C10 | H44 | 108.9° | 109.7° |
| C04 | C05 | C06 | 118.7° | 120.9° |
| C05 | C04 | H45 | 108.7° | 109.7° |
| C05 | C04 | H46 | 108.7° | 109.7° |
| C05 | C06 | C07 | 132.6° | 120.0° |
| C05 | C06 | H42 | 113.7° | 120.1° |
| C06 | C07 | C08 | 132.8° | 120.0° |
| C06 | C07 | H41 | 113.6° | 120.0° |
| C07 | C06 | H42 | 113.7° | 119.9° |
| C07 | C08 | C14 | 125.1° | 122.4° |
| C07 | C08 | C09 | 119.3° | 122.4° |
| C08 | C07 | H41 | 113.6° | 120.0° |
| C14 | C15 | C16 | 100.8° | 102.8° |
| C15 | C14 | C08 | 116.6° | 116.7° |
| C15 | C14 | C13 | 106.0° | 101.3° |
| C14 | C15 | H21 | 111.6° | 110.7° |
| C14 | C15 | H22 | 111.6° | 110.8° |
| C15 | C14 | H23 | 108.8° | 110.8° |
| C15 | C16 | C17 | 106.2° | 106.3° |
| C15 | C16 | H19 | 110.3° | 110.0° |
| C15 | C16 | H20 | 110.3° | 110.2° |
| C16 | C15 | H21 | 111.6° | 110.8° |
| C16 | C15 | H22 | 111.6° | 110.7° |
| C14 | C08 | C09 | 115.6° | 115.2° |
| C08 | C14 | C13 | 107.9° | 105.5° |
| C08 | C14 | H23 | 108.7° | 111.1° |
| C08 | C09 | C28 | 109.8° | 109.2° |
| C08 | C09 | C11 | 111.2° | 110.8° |
| C08 | C09 | H31 | 109.2° | 109.2° |
| C18 | C13 | C14 | 118.6° | 109.2° |
| C18 | C13 | C17 | 113.6° | 109.2° |
| C18 | C13 | C12 | 110.3° | 108.8° |
| C13 | C18 | H24 | 109.5° | 109.4° |
| C13 | C18 | H25 | 109.5° | 109.5° |
| C13 | C18 | H26 | 109.5° | 109.4° |
| C14 | C13 | C17 | 92.2° | 103.2° |
| C14 | C13 | C12 | 106.0° | 107.6° |
| C13 | C14 | H23 | 108.6° | 110.8° |
| C16 | C17 | C13 | 101.6° | 105.2° |
| C16 | C17 | C20 | 113.7° | 110.3° |
| C16 | C17 | H18 | 105.4° | 110.3° |
| C17 | C16 | H19 | 110.3° | 110.1° |
| C17 | C16 | H20 | 110.3° | 110.1° |
| C28 | C09 | C11 | 108.1° | 109.2° |
| C09 | C28 | C29 | 115.6° | 109.5° |
| C28 | C09 | H31 | 109.3° | 109.2° |
| C09 | C28 | H32 | 107.9° | 109.5° |
| C09 | C28 | H33 | 107.9° | 109.5° |
| C09 | C11 | C12 | 114.7° | 111.8° |
| C09 | C11 | H29 | 108.1° | 109.0° |
| C09 | C11 | H30 | 108.1° | 108.9° |
| C11 | C09 | H31 | 109.2° | 109.3° |
| C30 | C29 | C28 | 112.1° | 109.5° |
| C29 | C30 | C31 | 114.5° | 109.5° |
| C30 | C29 | H34 | 108.8° | 109.5° |
| C30 | C29 | H35 | 108.8° | 109.5° |
| C29 | C30 | H36 | 108.2° | 109.5° |
| C29 | C30 | H37 | 108.2° | 109.5° |
| C29 | C28 | H32 | 107.9° | 109.5° |
| C29 | C28 | H33 | 107.9° | 109.5° |
| C28 | C29 | H34 | 108.8° | 109.5° |
| C28 | C29 | H35 | 108.8° | 109.4° |
| C31 | C30 | H36 | 108.2° | 109.5° |
| C31 | C30 | H37 | 108.2° | 109.4° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C30 | C31 | H39 | 109.5° | 109.5° |
| C30 | C31 | H40 | 109.4° | 109.4° |
| C17 | C13 | C12 | 115.1° | 118.5° |
| C13 | C17 | C20 | 124.3° | 110.4° |
| C13 | C17 | H18 | 105.2° | 110.3° |
| C13 | C12 | C11 | 114.5° | 107.6° |
| C13 | C12 | H27 | 108.2° | 109.8° |
| C13 | C12 | H28 | 108.2° | 109.8° |
| C27 | C25 | C24 | 111.7° | 109.5° |
| C27 | C25 | C26 | 110.6° | 109.5° |
| C27 | C25 | O03 | 108.7° | 109.5° |
| C25 | C27 | H5 | 109.5° | 109.4° |
| C25 | C27 | H6 | 109.4° | 109.5° |
| C25 | C27 | H7 | 109.5° | 109.5° |
| C25 | C24 | C23 | 118.4° | 109.5° |
| C24 | C25 | C26 | 112.6° | 109.5° |
| C24 | C25 | O03 | 105.3° | 109.5° |
| C25 | C24 | H8 | 107.2° | 109.5° |
| C25 | C24 | H9 | 107.2° | 109.5° |
| C24 | C23 | C22 | 109.1° | 109.5° |
| C23 | C24 | H8 | 107.2° | 109.5° |
| C23 | C24 | H9 | 107.2° | 109.4° |
| C24 | C23 | H10 | 109.5° | 109.5° |
| C24 | C23 | H11 | 109.6° | 109.4° |
| C11 | C12 | H27 | 108.2° | 109.9° |
| C11 | C12 | H28 | 108.2° | 109.9° |
| C12 | C11 | H29 | 108.2° | 109.0° |
| C12 | C11 | H30 | 108.2° | 109.0° |
| C17 | C20 | C22 | 108.9° | 109.5° |
| C17 | C20 | C21 | 113.8° | 109.5° |
| C17 | C20 | H14 | 107.9° | 109.4° |
| C20 | C17 | H18 | 105.1° | 110.2° |
| C23 | C22 | C20 | 116.8° | 109.5° |
| C22 | C23 | H10 | 109.5° | 109.5° |
| C22 | C23 | H11 | 109.5° | 109.5° |
| C23 | C22 | H12 | 107.6° | 109.5° |
| C23 | C22 | H13 | 107.6° | 109.5° |
| C22 | C20 | C21 | 109.5° | 109.5° |
| C20 | C22 | H12 | 107.6° | 109.4° |
| C20 | C22 | H13 | 107.6° | 109.5° |
| C22 | C20 | H14 | 108.3° | 109.5° |
| C26 | C25 | O03 | 107.6° | 109.5° |
| C25 | C26 | H2 | 109.5° | 109.5° |
| C25 | C26 | H3 | 109.4° | 109.5° |
| C25 | C26 | H4 | 109.5° | 109.5° |
| C25 | O03 | H1 | 109.5° | 114.0° |
| C21 | C20 | H14 | 108.4° | 109.4° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.4° |
| H2 | C26 | H3 | 109.5° | 109.4° |
| H2 | C26 | H4 | 109.4° | 109.4° |
| H3 | C26 | H4 | 109.5° | 109.5° |
| H5 | C27 | H6 | 109.5° | 109.5° |
| H5 | C27 | H7 | 109.5° | 109.4° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.4° |
| H19 | C16 | H20 | 109.5° | 110.1° |
| H21 | C15 | H22 | 109.5° | 110.9° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H27 | C12 | H28 | 109.5° | 109.8° |
| H29 | C11 | H30 | 109.5° | 109.0° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H40 | 109.5° | 109.5° |
| H39 | C31 | H40 | 109.5° | 109.4° |
| H43 | C10 | H44 | 109.4° | 109.6° |
| H45 | C04 | H46 | 109.5° | 109.6° |
| H49 | C02 | H50 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C01 | C02 | C10 | 119.2° | 120.1° |
| O01 | C01 | C02 | H51 | 121.4° | 120.1° |
| O01 | C01 | C02 | C03 | 178.1° | 56.4° |
| O01 | C01 | C10 | H51 | 120.5° | 120.0° |
| O01 | C01 | C10 | C05 | 177.7° | 65.4° |
| O01 | C01 | C10 | H43 | 57.4° | 174.9° |
| O01 | C01 | C10 | H44 | 62.0° | 54.5° |
| O01 | C01 | C02 | H49 | 61.6° | 63.5° |
| O01 | C01 | C02 | H50 | 57.8° | 176.7° |
| C01 | C02 | C03 | H49 | 120.3° | 120.0° |
| C01 | C02 | C03 | H50 | 120.4° | 120.1° |
| C02 | C01 | C10 | H51 | 119.2° | 120.0° |
| C01 | C02 | C03 | O02 | 67.9° | 176.2° |
| C01 | C02 | C03 | C04 | 53.0° | 63.7° |
| C02 | C01 | C10 | C05 | 57.4° | 54.6° |
| C02 | C01 | C10 | H43 | 63.0° | 65.1° |
| C02 | C01 | C10 | H44 | 177.7° | 174.5° |
| C01 | C02 | C03 | H47 | 172.6° | 56.2° |
| C01 | C02 | H49 | H50 | 119.0° | 119.8° |
| C02 | C01 | O01 | H52 | 180.0° | 180.0° |
| C03 | C02 | C01 | C10 | 58.9° | 63.8° |
| C02 | C03 | O02 | C04 | 123.2° | 119.9° |
| C02 | C03 | O02 | H47 | 118.4° | 120.0° |
| C02 | C03 | C04 | H47 | 119.6° | 119.9° |
| C02 | C03 | C04 | C05 | 45.0° | 54.6° |
| C02 | C03 | C04 | H45 | 165.4° | 174.3° |
| C02 | C03 | C04 | H46 | 75.5° | 65.3° |
| C02 | C03 | O02 | H48 | 180.0° | 180.0° |
| C03 | C02 | H49 | H50 | 118.9° | 120.0° |
| C03 | C02 | C01 | H51 | 60.5° | 176.4° |
| C01 | C10 | C05 | H43 | 120.3° | 119.7° |
| C01 | C10 | C05 | H44 | 120.3° | 119.9° |
| C01 | C10 | C05 | C04 | 51.6° | 51.1° |
| C01 | C10 | C05 | C06 | 128.6° | 128.7° |
| C01 | C10 | H43 | H44 | 119.1° | 120.5° |
| C10 | C01 | C02 | H49 | 179.2° | 176.3° |
| C10 | C01 | C02 | H50 | 61.5° | 56.6° |
| C10 | C01 | O01 | H52 | 59.8° | 59.9° |
| O02 | C03 | C04 | H47 | 119.5° | 120.1° |
| O02 | C03 | C04 | C05 | 75.9° | 174.6° |
| O02 | C03 | C04 | H45 | 44.5° | 65.7° |
| O02 | C03 | C04 | H46 | 163.6° | 54.7° |
| O02 | C03 | C02 | H49 | 52.4° | 56.2° |
| O02 | C03 | C02 | H50 | 171.7° | 63.6° |
| C03 | C04 | C05 | C10 | 45.0° | 51.1° |
| C03 | C04 | C05 | H45 | 120.5° | 119.7° |
| C03 | C04 | C05 | H46 | 120.5° | 119.9° |
| C03 | C04 | C05 | C06 | 135.3° | 128.6° |
| C03 | C04 | H45 | H46 | 118.6° | 120.5° |
| C04 | C03 | O02 | H48 | 56.8° | 60.1° |
| C04 | C03 | C02 | H49 | 173.3° | 176.2° |
| C04 | C03 | C02 | H50 | 67.4° | 56.4° |
| C10 | C05 | C04 | C06 | 179.8° | 179.7° |
| C10 | C05 | C06 | C07 | 0.2° | 174.0° |
| C10 | C05 | C06 | H42 | 179.8° | 6.0° |
| C05 | C10 | H43 | H44 | 119.0° | 120.5° |
| C10 | C05 | C04 | H45 | 165.4° | 170.8° |
| C10 | C05 | C04 | H46 | 75.5° | 68.8° |
| C05 | C10 | C01 | H51 | 61.8° | 174.6° |
| C04 | C05 | C06 | C07 | 179.5° | 5.7° |
| C04 | C05 | C06 | H42 | 0.5° | 174.2° |
| C04 | C05 | C10 | H43 | 68.7° | 68.6° |
| C04 | C05 | C10 | H44 | 172.0° | 171.0° |
| C05 | C04 | H45 | H46 | 118.6° | 120.4° |
| C05 | C04 | C03 | H47 | 164.5° | 65.3° |
| C05 | C06 | C07 | H42 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 154.9° | 174.7° |
| C05 | C06 | C07 | H41 | 25.0° | 5.3° |
| C06 | C05 | C10 | H43 | 111.0° | 111.7° |
| C06 | C05 | C10 | H44 | 8.3° | 8.7° |
| C06 | C05 | C04 | H45 | 14.8° | 8.9° |
| C06 | C05 | C04 | H46 | 104.3° | 111.4° |
| C06 | C07 | C08 | H41 | 180.0° | 179.9° |
| C06 | C07 | C08 | C14 | 177.8° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.0° |
| C07 | C08 | C14 | C15 | 3.0° | 10.4° |
| C07 | C08 | C14 | C09 | 177.4° | 180.0° |
| C07 | C08 | C14 | C13 | 116.0° | 122.0° |
| C07 | C08 | C09 | C28 | 109.5° | 109.8° |
| C07 | C08 | C09 | C11 | 131.0° | 129.8° |
| C07 | C08 | C14 | H23 | 126.4° | 117.9° |
| C07 | C08 | C09 | H31 | 10.4° | 9.5° |
| C08 | C07 | C06 | H42 | 25.1° | 5.3° |
| C14 | C15 | C16 | H21 | 118.6° | 118.3° |
| C14 | C15 | C16 | H22 | 118.6° | 118.3° |
| C15 | C14 | C08 | C13 | 119.1° | 111.5° |
| C15 | C14 | C08 | H23 | 123.4° | 128.3° |
| C15 | C14 | C08 | C09 | 179.6° | 169.6° |
| C15 | C14 | C13 | C18 | 65.0° | 70.6° |
| C15 | C14 | C13 | H23 | 116.7° | 117.6° |
| C14 | C15 | C16 | C17 | 2.4° | 24.2° |
| C15 | C14 | C13 | C17 | 53.6° | 45.4° |
| C15 | C14 | C13 | C12 | 170.5° | 171.5° |
| C14 | C15 | C16 | H19 | 117.1° | 95.0° |
| C14 | C15 | C16 | H20 | 121.9° | 143.4° |
| C14 | C15 | H21 | H22 | 124.0° | 123.4° |
| C16 | C15 | C14 | C08 | 153.3° | 156.2° |
| C16 | C15 | C14 | C13 | 33.2° | 42.2° |
| C15 | C16 | C17 | H19 | 119.5° | 119.2° |
| C15 | C16 | C17 | H20 | 119.5° | 119.3° |
| C15 | C16 | C17 | C13 | 36.4° | 3.9° |
| C15 | C16 | C17 | C20 | 172.2° | 122.9° |
| C15 | C16 | C17 | H18 | 73.2° | 115.0° |
| C15 | C16 | H19 | H20 | 121.5° | 121.6° |
| C16 | C15 | H21 | H22 | 124.1° | 123.3° |
| C16 | C15 | C14 | H23 | 83.4° | 75.4° |
| C08 | C14 | C13 | C18 | 60.7° | 51.5° |
| C08 | C14 | C13 | H23 | 117.6° | 120.4° |
| C14 | C08 | C09 | C28 | 73.0° | 70.1° |
| C14 | C08 | C09 | C11 | 46.6° | 50.2° |
| C08 | C14 | C13 | C17 | 179.2° | 167.5° |
| C08 | C14 | C13 | C12 | 63.9° | 66.5° |
| C08 | C14 | C15 | H21 | 34.7° | 85.5° |
| C08 | C14 | C15 | H22 | 88.1° | 38.0° |
| C14 | C08 | C09 | H31 | 167.2° | 170.5° |
| C14 | C08 | C07 | H41 | 2.2° | 0.0° |
| C09 | C08 | C14 | C13 | 61.4° | 58.1° |
| C08 | C09 | C28 | C11 | 121.5° | 121.3° |
| C08 | C09 | C28 | H31 | 119.7° | 119.3° |
| C08 | C09 | C11 | H31 | 120.6° | 120.3° |
| C08 | C09 | C28 | C29 | 80.9° | 173.7° |
| C08 | C09 | C11 | C12 | 37.8° | 48.6° |
| C09 | C08 | C14 | H23 | 56.2° | 62.1° |
| C08 | C09 | C11 | H29 | 158.6° | 72.0° |
| C08 | C09 | C11 | H30 | 83.0° | 169.1° |
| C08 | C09 | C28 | H32 | 158.2° | 66.3° |
| C08 | C09 | C28 | H33 | 40.0° | 53.7° |
| C09 | C08 | C07 | H41 | 179.5° | 180.0° |
| C18 | C13 | C14 | C17 | 118.5° | 116.0° |
| C18 | C13 | C14 | C12 | 124.6° | 118.0° |
| C18 | C13 | C17 | C16 | 70.2° | 85.9° |
| C18 | C13 | C17 | C12 | 128.6° | 125.2° |
| C18 | C13 | C12 | C11 | 70.4° | 50.2° |
| C18 | C13 | C17 | C20 | 59.3° | 33.0° |
| C18 | C13 | C17 | H18 | 179.8° | 155.1° |
| C18 | C13 | C14 | H23 | 178.3° | 171.9° |
| C13 | C18 | H24 | H25 | 120.0° | 120.0° |
| C13 | C18 | H24 | H26 | 120.0° | 119.9° |
| C13 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C13 | C12 | H27 | 50.3° | 69.4° |
| C18 | C13 | C12 | H28 | 168.9° | 169.8° |
| C14 | C13 | C17 | C16 | 52.5° | 30.1° |
| C14 | C13 | C17 | C12 | 108.8° | 118.7° |
| C14 | C13 | C12 | C11 | 59.2° | 68.0° |
| C14 | C13 | C17 | C20 | 178.0° | 149.1° |
| C14 | C13 | C17 | H18 | 57.2° | 88.8° |
| C13 | C14 | C15 | H21 | 85.4° | 160.6° |
| C13 | C14 | C15 | H22 | 151.8° | 76.0° |
| C14 | C13 | C18 | H24 | 180.0° | 67.5° |
| C14 | C13 | C18 | H25 | 60.0° | 172.4° |
| C14 | C13 | C18 | H26 | 60.0° | 52.5° |
| C14 | C13 | C12 | H27 | 179.9° | 172.4° |
| C14 | C13 | C12 | H28 | 61.5° | 51.5° |
| C16 | C17 | C13 | C20 | 129.5° | 119.0° |
| C16 | C17 | C13 | H18 | 109.6° | 118.9° |
| C16 | C17 | C13 | C12 | 161.2° | 148.8° |
| C16 | C17 | C20 | H18 | 114.7° | 122.1° |
| C16 | C17 | C20 | C22 | 46.0° | 62.8° |
| C16 | C17 | C20 | C21 | 76.4° | 177.1° |
| C16 | C17 | C20 | H14 | 163.3° | 57.2° |
| C17 | C16 | H19 | H20 | 121.5° | 121.6° |
| C17 | C16 | C15 | H21 | 121.0° | 142.5° |
| C17 | C16 | C15 | H22 | 116.2° | 94.1° |
| C28 | C09 | C11 | H31 | 118.9° | 119.4° |
| C09 | C28 | C29 | C30 | 134.1° | NaN° |
| C09 | C28 | C29 | H32 | 120.9° | 120.0° |
| C09 | C28 | C29 | H33 | 120.9° | 120.0° |
| C28 | C09 | C11 | C12 | 82.7° | 71.7° |
| C28 | C09 | C11 | H29 | 38.1° | 167.7° |
| C28 | C09 | C11 | H30 | 156.5° | 48.8° |
| C09 | C28 | H32 | H33 | 117.2° | 120.0° |
| C09 | C28 | C29 | H34 | 105.5° | 60.0° |
| C09 | C28 | C29 | H35 | 13.7° | 60.0° |
| C11 | C09 | C28 | C29 | 157.6° | 65.0° |
| C09 | C11 | C12 | C13 | 47.1° | 59.1° |
| C09 | C11 | C12 | H29 | 120.8° | 120.6° |
| C09 | C11 | C12 | H30 | 120.8° | 120.5° |
| C09 | C11 | C12 | H27 | 167.8° | 178.6° |
| C09 | C11 | C12 | H28 | 73.6° | 60.5° |
| C09 | C11 | H29 | H30 | 117.6° | 118.8° |
| C11 | C09 | C28 | H32 | 36.7° | 55.0° |
| C11 | C09 | C28 | H33 | 81.5° | 175.0° |
| C30 | C29 | C28 | H34 | 120.4° | 120.0° |
| C30 | C29 | C28 | H35 | 120.4° | 120.0° |
| C29 | C30 | C31 | H36 | 120.7° | 120.0° |
| C29 | C30 | C31 | H37 | 120.7° | 120.0° |
| C30 | C29 | C28 | H32 | 105.0° | 60.0° |
| C30 | C29 | C28 | H33 | 13.2° | 60.0° |
| C30 | C29 | H34 | H35 | 118.8° | 120.0° |
| C29 | C30 | H36 | H37 | 117.7° | 120.0° |
| C29 | C30 | C31 | H38 | 180.0° | 180.0° |
| C29 | C30 | C31 | H39 | 60.0° | 60.0° |
| C29 | C30 | C31 | H40 | 60.0° | 60.0° |
| C28 | C29 | C30 | C31 | 72.8° | 180.0° |
| C29 | C28 | C09 | H31 | 38.8° | 54.4° |
| C29 | C28 | H32 | H33 | 117.2° | 120.0° |
| C28 | C29 | H34 | H35 | 118.8° | 120.0° |
| C28 | C29 | C30 | H36 | 48.0° | 60.0° |
| C28 | C29 | C30 | H37 | 166.5° | 60.0° |
| C31 | C30 | C29 | H34 | 47.6° | 60.0° |
| C31 | C30 | C29 | H35 | 166.8° | 60.0° |
| C31 | C30 | H36 | H37 | 117.7° | 119.9° |
| C30 | C31 | H38 | H39 | 120.0° | 120.0° |
| C30 | C31 | H38 | H40 | 120.0° | 120.0° |
| C30 | C31 | H39 | H40 | 120.0° | 119.9° |
| C17 | C13 | C12 | C11 | 159.4° | 175.6° |
| C13 | C17 | C20 | H18 | 120.9° | 122.2° |
| C13 | C17 | C20 | C22 | 78.4° | 178.6° |
| C13 | C17 | C20 | C21 | 159.3° | 61.4° |
| C13 | C17 | C20 | H14 | 38.9° | 58.6° |
| C13 | C17 | C16 | H19 | 83.1° | 123.1° |
| C13 | C17 | C16 | H20 | 155.8° | 115.4° |
| C17 | C13 | C14 | H23 | 63.2° | 72.1° |
| C17 | C13 | C18 | H24 | 73.4° | 44.6° |
| C17 | C13 | C18 | H25 | 166.6° | 75.5° |
| C17 | C13 | C18 | H26 | 46.6° | 164.6° |
| C17 | C13 | C12 | H27 | 79.8° | 56.0° |
| C17 | C13 | C12 | H28 | 38.7° | 64.8° |
| C13 | C12 | C11 | H27 | 120.7° | 119.5° |
| C13 | C12 | C11 | H28 | 120.7° | 119.5° |
| C12 | C13 | C17 | C20 | 69.2° | 92.2° |
| C12 | C13 | C17 | H18 | 51.6° | 29.9° |
| C12 | C13 | C14 | H23 | 53.7° | 53.9° |
| C12 | C13 | C18 | H24 | 57.6° | 175.3° |
| C12 | C13 | C18 | H25 | 62.4° | 55.2° |
| C12 | C13 | C18 | H26 | 177.6° | 64.7° |
| C13 | C12 | H27 | H28 | 117.7° | 120.9° |
| C13 | C12 | C11 | H29 | 167.9° | 61.5° |
| C13 | C12 | C11 | H30 | 73.7° | 179.5° |
| C27 | C25 | C24 | C26 | 125.1° | 120.0° |
| C27 | C25 | C24 | O03 | 117.9° | 120.0° |
| C27 | C25 | C24 | C23 | 172.2° | 60.0° |
| C27 | C25 | C26 | O03 | 118.6° | 120.0° |
| C27 | C25 | O03 | H1 | 180.0° | 179.9° |
| C27 | C25 | C26 | H2 | 180.0° | 60.0° |
| C27 | C25 | C26 | H3 | 60.0° | 60.0° |
| C27 | C25 | C26 | H4 | 60.0° | 180.0° |
| C25 | C27 | H5 | H6 | 120.0° | 120.0° |
| C25 | C27 | H5 | H7 | 120.0° | 120.0° |
| C25 | C27 | H6 | H7 | 120.0° | 120.1° |
| C27 | C25 | C24 | H8 | 66.5° | 180.0° |
| C27 | C25 | C24 | H9 | 50.9° | 60.0° |
| C25 | C24 | C23 | H8 | 121.3° | 120.0° |
| C25 | C24 | C23 | H9 | 121.3° | 120.0° |
| C25 | C24 | C23 | C22 | 148.0° | 180.0° |
| C24 | C25 | C26 | O03 | 115.6° | 120.0° |
| C24 | C25 | O03 | H1 | 60.1° | 59.9° |
| C24 | C25 | C26 | H2 | 54.3° | 180.0° |
| C24 | C25 | C26 | H3 | 65.7° | 60.1° |
| C24 | C25 | C26 | H4 | 174.3° | 60.0° |
| C24 | C25 | C27 | H5 | 180.0° | 180.0° |
| C24 | C25 | C27 | H6 | 60.0° | 60.0° |
| C24 | C25 | C27 | H7 | 60.0° | 60.0° |
| C25 | C24 | H8 | H9 | 115.9° | 120.0° |
| C25 | C24 | C23 | H10 | 92.1° | 60.0° |
| C25 | C24 | C23 | H11 | 28.0° | 60.0° |
| C24 | C23 | C22 | H10 | 119.9° | 120.0° |
| C24 | C23 | C22 | H11 | 120.0° | 120.0° |
| C24 | C23 | C22 | C20 | 167.7° | 179.9° |
| C23 | C24 | C25 | C26 | 47.1° | 180.0° |
| C23 | C24 | C25 | O03 | 69.9° | 60.1° |
| C23 | C24 | H8 | H9 | 116.0° | 120.0° |
| C24 | C23 | H10 | H11 | 120.2° | 120.0° |
| C24 | C23 | C22 | H12 | 46.6° | 60.0° |
| C24 | C23 | C22 | H13 | 71.3° | 60.0° |
| C11 | C12 | H27 | H28 | 117.7° | 121.0° |
| C12 | C11 | H29 | H30 | 117.6° | 118.9° |
| C12 | C11 | C09 | H31 | 158.4° | 168.9° |
| C17 | C20 | C22 | C23 | 137.8° | 175.0° |
| C17 | C20 | C22 | C21 | 125.0° | 120.1° |
| C17 | C20 | C22 | H14 | 117.0° | 120.0° |
| C17 | C20 | C21 | H14 | 120.0° | 119.9° |
| C17 | C20 | C22 | H12 | 101.1° | 65.0° |
| C17 | C20 | C22 | H13 | 16.7° | 55.0° |
| C17 | C20 | C21 | H15 | 180.0° | 59.9° |
| C17 | C20 | C21 | H16 | 60.0° | 179.9° |
| C17 | C20 | C21 | H17 | 60.0° | 60.1° |
| C20 | C17 | C16 | H19 | 52.7° | 117.9° |
| C20 | C17 | C16 | H20 | 68.3° | 3.6° |
| C23 | C22 | C20 | H12 | 121.0° | 120.0° |
| C23 | C22 | C20 | H13 | 121.1° | 120.0° |
| C23 | C22 | C20 | C21 | 97.2° | 65.0° |
| C22 | C23 | C24 | H8 | 26.7° | 60.0° |
| C22 | C23 | C24 | H9 | 90.8° | 60.0° |
| C22 | C23 | H10 | H11 | 120.1° | 120.0° |
| C23 | C22 | H12 | H13 | 116.7° | 120.0° |
| C23 | C22 | C20 | H14 | 20.8° | 55.0° |
| C22 | C20 | C21 | H14 | 117.9° | 120.0° |
| C20 | C22 | C23 | H10 | 72.4° | 60.0° |
| C20 | C22 | C23 | H11 | 47.7° | 60.0° |
| C20 | C22 | H12 | H13 | 116.7° | 120.0° |
| C22 | C20 | C21 | H15 | 58.0° | 180.0° |
| C22 | C20 | C21 | H16 | 62.1° | 60.0° |
| C22 | C20 | C21 | H17 | 178.0° | 60.0° |
| C22 | C20 | C17 | H18 | 160.7° | 59.3° |
| C26 | C25 | O03 | H1 | 60.2° | 60.1° |
| C25 | C26 | H2 | H3 | 120.0° | 120.0° |
| C25 | C26 | H2 | H4 | 120.0° | 120.0° |
| C25 | C26 | H3 | H4 | 120.0° | 120.1° |
| C26 | C25 | C27 | H5 | 53.8° | 60.0° |
| C26 | C25 | C27 | H6 | 66.2° | 180.0° |
| C26 | C25 | C27 | H7 | 173.8° | 60.0° |
| C26 | C25 | C24 | H8 | 168.4° | 60.0° |
| C26 | C25 | C24 | H9 | 74.2° | 60.1° |
| O03 | C25 | C26 | H2 | 61.3° | 60.0° |
| O03 | C25 | C26 | H3 | 178.6° | 180.0° |
| O03 | C25 | C26 | H4 | 58.6° | 60.0° |
| O03 | C25 | C27 | H5 | 64.2° | 60.0° |
| O03 | C25 | C27 | H6 | 175.8° | 60.0° |
| O03 | C25 | C27 | H7 | 55.8° | 180.0° |
| O03 | C25 | C24 | H8 | 51.4° | 60.0° |
| O03 | C25 | C24 | H9 | 168.8° | 180.0° |
| C21 | C20 | C22 | H12 | 23.8° | 55.0° |
| C21 | C20 | C22 | H13 | 141.7° | 175.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C20 | C17 | H18 | 38.4° | 60.8° |
| H2 | C26 | H3 | H4 | 120.0° | 120.0° |
| H5 | C27 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C23 | H10 | 146.6° | 180.0° |
| H8 | C24 | C23 | H11 | 93.2° | 60.0° |
| H9 | C24 | C23 | H10 | 29.2° | 60.0° |
| H9 | C24 | C23 | H11 | 149.3° | 180.0° |
| H10 | C23 | C22 | H12 | 166.6° | 180.0° |
| H10 | C23 | C22 | H13 | 48.7° | 60.0° |
| H11 | C23 | C22 | H12 | 73.3° | 60.0° |
| H11 | C23 | C22 | H13 | 168.8° | 180.0° |
| H12 | C22 | C20 | H14 | 141.8° | 175.0° |
| H13 | C22 | C20 | H14 | 100.3° | 65.0° |
| H14 | C20 | C21 | H15 | 60.0° | 60.0° |
| H14 | C20 | C21 | H16 | 180.0° | 60.0° |
| H14 | C20 | C21 | H17 | 60.1° | 180.0° |
| H14 | C20 | C17 | H18 | 82.0° | 179.3° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | C16 | H19 | 167.3° | 4.1° |
| H18 | C17 | C16 | H20 | 46.3° | 125.7° |
| H19 | C16 | C15 | H21 | 1.5° | 23.3° |
| H19 | C16 | C15 | H22 | 124.3° | 146.7° |
| H20 | C16 | C15 | H21 | 119.5° | 98.2° |
| H20 | C16 | C15 | H22 | 3.3° | 25.2° |
| H21 | C15 | C14 | H23 | 158.0° | 43.0° |
| H22 | C15 | C14 | H23 | 35.2° | 166.4° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C12 | C11 | H29 | 71.4° | 58.0° |
| H27 | C12 | C11 | H30 | 47.1° | 61.0° |
| H28 | C12 | C11 | H29 | 47.1° | 178.9° |
| H28 | C12 | C11 | H30 | 165.6° | 60.0° |
| H29 | C11 | C09 | H31 | 80.8° | 48.3° |
| H30 | C11 | C09 | H31 | 37.6° | 70.6° |
| H31 | C09 | C28 | H32 | 82.1° | 174.4° |
| H31 | C09 | C28 | H33 | 159.7° | 65.6° |
| H32 | C28 | C29 | H34 | 15.4° | 180.0° |
| H32 | C28 | C29 | H35 | 134.6° | 60.0° |
| H33 | C28 | C29 | H34 | 133.6° | 60.0° |
| H33 | C28 | C29 | H35 | 107.2° | 180.0° |
| H34 | C29 | C30 | H36 | 168.4° | 180.0° |
| H34 | C29 | C30 | H37 | 73.1° | 60.0° |
| H35 | C29 | C30 | H36 | 72.4° | 60.0° |
| H35 | C29 | C30 | H37 | 46.1° | 180.0° |
| H36 | C30 | C31 | H38 | 59.2° | 60.0° |
| H36 | C30 | C31 | H39 | 179.3° | NaN° |
| H36 | C30 | C31 | H40 | 60.7° | 60.1° |
| H37 | C30 | C31 | H38 | 59.3° | 60.0° |
| H37 | C30 | C31 | H39 | 60.7° | 60.1° |
| H37 | C30 | C31 | H40 | 179.3° | 180.0° |
| H38 | C31 | H39 | H40 | 120.0° | 120.0° |
| H41 | C07 | C06 | H42 | 154.9° | 174.7° |
| H43 | C10 | C01 | H51 | 177.8° | 54.9° |
| H44 | C10 | C01 | H51 | 58.5° | 65.5° |
| H45 | C04 | C03 | H47 | 75.0° | 54.4° |
| H46 | C04 | C03 | H47 | 44.1° | 174.8° |
| H47 | C03 | O02 | H48 | 61.6° | 60.0° |
| H47 | C03 | C02 | H49 | 67.1° | 63.8° |
| H47 | C03 | C02 | H50 | 52.2° | 176.3° |
| H49 | C02 | C01 | H51 | 59.8° | 56.5° |
| H50 | C02 | C01 | H51 | 179.2° | 63.2° |
| H51 | C01 | O01 | H52 | 59.7° | 59.9° |
