YI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C33 | sing | 1.43Å | 1.42Å | |
| C33 | C32 | sing | 1.51Å | 1.40Å | |
| C32 | C02 | doub | 1.31Å | 1.41Å | |
| O01 | C01 | sing | 1.43Å | 1.43Å | |
| C02 | C01 | sing | 1.51Å | 1.57Å | |
| C02 | C03 | sing | 1.51Å | 1.55Å | |
| C01 | C10 | sing | 1.53Å | 1.55Å | |
| C03 | O02 | sing | 1.43Å | 1.43Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C10 | C05 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.51Å | 1.55Å | |
| C05 | C06 | doub | 1.33Å | 1.40Å | |
| C06 | C07 | sing | 1.47Å | 1.40Å | |
| C07 | C08 | doub | 1.33Å | 1.41Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C08 | C14 | sing | 1.50Å | 1.60Å | |
| C08 | C09 | sing | 1.52Å | 1.60Å | |
| C14 | C13 | sing | 1.56Å | 1.54Å | |
| C18 | C13 | sing | 1.53Å | 1.59Å | |
| C16 | C17 | sing | 1.55Å | 1.56Å | |
| C09 | C28 | sing | 1.53Å | 1.56Å | |
| C09 | C11 | sing | 1.53Å | 1.58Å | |
| C28 | C29 | sing | 1.51Å | 1.41Å | |
| C13 | C17 | sing | 1.52Å | 1.57Å | |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | doub | 1.31Å | 1.39Å | |
| C17 | C20 | sing | 1.53Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.54Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| C25 | O03 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| 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 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C07 | H39 | sing | 1.08Å | 1.08Å | |
| C06 | H40 | sing | 1.08Å | 1.08Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C01 | H43 | sing | 1.09Å | 1.10Å | |
| O01 | H44 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| O04 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C33 | C32 | 110.3° | 109.4° |
| O04 | C33 | H50 | 109.2° | 109.5° |
| O04 | C33 | H51 | 109.3° | 109.5° |
| C33 | O04 | H52 | 109.5° | 113.9° |
| C33 | C32 | C02 | 132.6° | 120.0° |
| C33 | C32 | H49 | 113.7° | 120.0° |
| C32 | C33 | H50 | 109.3° | 109.5° |
| C32 | C33 | H51 | 109.2° | 109.5° |
| C32 | C02 | C01 | 118.0° | 120.6° |
| C32 | C02 | C03 | 127.0° | 120.7° |
| C02 | C32 | H49 | 113.7° | 120.0° |
| O01 | C01 | C02 | 111.0° | 109.7° |
| O01 | C01 | C10 | 109.2° | 109.6° |
| O01 | C01 | H43 | 109.8° | 109.6° |
| C01 | O01 | H44 | 109.5° | 114.0° |
| C01 | C02 | C03 | 115.0° | 118.7° |
| C02 | C01 | C10 | 110.7° | 108.7° |
| C02 | C01 | H43 | 107.9° | 109.6° |
| C02 | C03 | O02 | 113.0° | 109.5° |
| C02 | C03 | C04 | 110.1° | 108.7° |
| C02 | C03 | H47 | 108.5° | 109.9° |
| C01 | C10 | C05 | 113.6° | 108.6° |
| C01 | C10 | H41 | 108.4° | 109.6° |
| C01 | C10 | H42 | 108.5° | 109.8° |
| C10 | C01 | H43 | 108.2° | 109.6° |
| O02 | C03 | C04 | 106.3° | 109.6° |
| O02 | C03 | H47 | 110.2° | 109.6° |
| C03 | O02 | H48 | 109.5° | 114.0° |
| C03 | C04 | C05 | 113.0° | 108.6° |
| C03 | C04 | H45 | 108.6° | 109.6° |
| C03 | C04 | H46 | 108.6° | 109.8° |
| C04 | C03 | H47 | 108.7° | 109.6° |
| C10 | C05 | C04 | 118.3° | 118.8° |
| C10 | C05 | C06 | 124.1° | 120.6° |
| C05 | C10 | H41 | 108.4° | 109.6° |
| C05 | C10 | H42 | 108.4° | 109.6° |
| C04 | C05 | C06 | 117.6° | 120.6° |
| C05 | C04 | H45 | 108.6° | 109.6° |
| C05 | C04 | H46 | 108.6° | 109.6° |
| C05 | C06 | C07 | 132.6° | 120.0° |
| C05 | C06 | H40 | 113.7° | 120.0° |
| C06 | C07 | C08 | 132.1° | 120.0° |
| C06 | C07 | H39 | 113.9° | 120.0° |
| C07 | C06 | H40 | 113.7° | 120.0° |
| C07 | C08 | C14 | 122.0° | 122.4° |
| C07 | C08 | C09 | 122.9° | 122.4° |
| C08 | C07 | H39 | 114.0° | 120.0° |
| C14 | C15 | C16 | 100.9° | 102.8° |
| C15 | C14 | C08 | 118.4° | 116.7° |
| C15 | C14 | C13 | 105.7° | 101.3° |
| C14 | C15 | H21 | 111.6° | 110.7° |
| C14 | C15 | H22 | 111.6° | 110.7° |
| C15 | C14 | H23 | 108.6° | 110.7° |
| C15 | C16 | C17 | 106.3° | 106.3° |
| C15 | C16 | H19 | 110.3° | 110.0° |
| C15 | C16 | H20 | 110.3° | 110.1° |
| C16 | C15 | H21 | 111.6° | 110.8° |
| C16 | C15 | H22 | 111.6° | 110.7° |
| C14 | C08 | C09 | 115.1° | 115.3° |
| C08 | C14 | C13 | 107.5° | 105.5° |
| C08 | C14 | H23 | 107.8° | 111.1° |
| C08 | C09 | C28 | 115.3° | 109.2° |
| C08 | C09 | C11 | 113.1° | 110.8° |
| C08 | C09 | H31 | 106.2° | 109.2° |
| C14 | C13 | C18 | 117.3° | 109.2° |
| C14 | C13 | C17 | 93.8° | 103.1° |
| C14 | C13 | C12 | 110.7° | 107.6° |
| C13 | C14 | H23 | 108.5° | 110.8° |
| C18 | C13 | C17 | 114.6° | 109.2° |
| C18 | C13 | C12 | 106.2° | 108.9° |
| C13 | C18 | H24 | 109.5° | 109.5° |
| C13 | C18 | H25 | 109.4° | 109.5° |
| C13 | C18 | H26 | 109.5° | 109.4° |
| C16 | C17 | C13 | 102.4° | 105.1° |
| C16 | C17 | C20 | 114.1° | 110.3° |
| C16 | C17 | H18 | 105.5° | 110.4° |
| C17 | C16 | H19 | 110.3° | 110.1° |
| C17 | C16 | H20 | 110.3° | 110.1° |
| C28 | C09 | C11 | 108.7° | 109.2° |
| C09 | C28 | C29 | 117.8° | 109.5° |
| C28 | C09 | H31 | 106.6° | 109.2° |
| C09 | C28 | H32 | 107.3° | 109.4° |
| C09 | C28 | H33 | 107.4° | 109.4° |
| C09 | C11 | C12 | 118.1° | 111.8° |
| C09 | C11 | H29 | 107.3° | 109.0° |
| C09 | C11 | H30 | 107.3° | 108.9° |
| C11 | C09 | H31 | 106.4° | 109.2° |
| C28 | C29 | C30 | 120.3° | 120.0° |
| C29 | C28 | H32 | 107.3° | 109.5° |
| C29 | C28 | H33 | 107.3° | 109.5° |
| C28 | C29 | H35 | 119.8° | 120.0° |
| C17 | C13 | C12 | 114.2° | 118.4° |
| C13 | C17 | C20 | 122.8° | 110.3° |
| C13 | C17 | H18 | 105.4° | 110.3° |
| C13 | C12 | C11 | 119.3° | 107.5° |
| C13 | C12 | H27 | 107.0° | 109.8° |
| C13 | C12 | H28 | 106.9° | 109.9° |
| C27 | C25 | C24 | 111.4° | 109.5° |
| C27 | C25 | O03 | 108.6° | 109.5° |
| C27 | C25 | C26 | 110.4° | 109.5° |
| C25 | C27 | H5 | 109.5° | 109.5° |
| C25 | C27 | H6 | 109.4° | 109.4° |
| C25 | C27 | H7 | 109.5° | 109.5° |
| C30 | C29 | H35 | 119.9° | 119.9° |
| C29 | C30 | H36 | 120.0° | 119.9° |
| C29 | C30 | H37 | 120.0° | 120.0° |
| C17 | C20 | C22 | 113.9° | 109.5° |
| C17 | C20 | C21 | 112.9° | 109.5° |
| C17 | C20 | H14 | 107.5° | 109.5° |
| C20 | C17 | H18 | 105.3° | 110.3° |
| C25 | C24 | C23 | 118.9° | 109.5° |
| C24 | C25 | O03 | 106.2° | 109.4° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C25 | C24 | H8 | 107.1° | 109.5° |
| C25 | C24 | H9 | 107.1° | 109.5° |
| C24 | C23 | C22 | 112.2° | 109.4° |
| C23 | C24 | H8 | 107.0° | 109.5° |
| C23 | C24 | H9 | 107.1° | 109.5° |
| C24 | C23 | H10 | 108.8° | 109.5° |
| C24 | C23 | H11 | 108.8° | 109.5° |
| C11 | C12 | H27 | 107.0° | 109.8° |
| C11 | C12 | H28 | 107.0° | 109.9° |
| C12 | C11 | H29 | 107.2° | 109.1° |
| C12 | C11 | H30 | 107.3° | 109.0° |
| C23 | C22 | C20 | 112.7° | 109.4° |
| C22 | C23 | H10 | 108.8° | 109.4° |
| C22 | C23 | H11 | 108.8° | 109.5° |
| C23 | C22 | H12 | 108.6° | 109.4° |
| C23 | C22 | H13 | 108.6° | 109.5° |
| C22 | C20 | C21 | 106.5° | 109.5° |
| C20 | C22 | H12 | 108.7° | 109.5° |
| C20 | C22 | H13 | 108.7° | 109.5° |
| C22 | C20 | H14 | 107.9° | 109.5° |
| O03 | C25 | C26 | 107.7° | 109.5° |
| C25 | O03 | H1 | 109.5° | 114.0° |
| C25 | C26 | H2 | 109.5° | 109.4° |
| C25 | C26 | H3 | 109.5° | 109.5° |
| C25 | C26 | H4 | 109.5° | 109.5° |
| C21 | C20 | H14 | 108.0° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.4° | 109.4° |
| H2 | C26 | H3 | 109.4° | 109.5° |
| H2 | C26 | H4 | 109.4° | 109.5° |
| H3 | C26 | H4 | 109.5° | 109.5° |
| H5 | C27 | H6 | 109.5° | 109.5° |
| H5 | C27 | H7 | 109.5° | 109.5° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.4° |
| H19 | C16 | H20 | 109.4° | 110.1° |
| H21 | C15 | H22 | 109.5° | 110.8° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.8° |
| H29 | C11 | H30 | 109.5° | 109.0° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H36 | C30 | H37 | 120.0° | 120.1° |
| H41 | C10 | H42 | 109.5° | 109.7° |
| H45 | C04 | H46 | 109.4° | 109.6° |
| H50 | C33 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C33 | C32 | H50 | 120.1° | 120.0° |
| O04 | C33 | C32 | H51 | 120.2° | 119.9° |
| O04 | C33 | C32 | C02 | 165.9° | 136.2° |
| O04 | C33 | C32 | H49 | 14.1° | 43.9° |
| O04 | C33 | H50 | H51 | 119.6° | 120.0° |
| C33 | C32 | C02 | H49 | 180.0° | 179.9° |
| C33 | C32 | C02 | C01 | 179.8° | 7.1° |
| C33 | C32 | C02 | C03 | 0.1° | 172.6° |
| C32 | C33 | H50 | H51 | 119.6° | 120.1° |
| C32 | C33 | O04 | H52 | 180.0° | 180.0° |
| C32 | C02 | C01 | O01 | 4.4° | 115.5° |
| C32 | C02 | C01 | C03 | 179.9° | 179.8° |
| C32 | C02 | C01 | C10 | 125.9° | 124.7° |
| C32 | C02 | C03 | O02 | 118.0° | 5.0° |
| C32 | C02 | C03 | C04 | 123.4° | 124.7° |
| C32 | C02 | C01 | H43 | 116.0° | 4.9° |
| C32 | C02 | C03 | H47 | 4.5° | 115.4° |
| C02 | C32 | C33 | H50 | 74.0° | 103.8° |
| C02 | C32 | C33 | H51 | 45.8° | 16.3° |
| O01 | C01 | C02 | C10 | 121.4° | 119.8° |
| O01 | C01 | C02 | H43 | 120.4° | 120.4° |
| O01 | C01 | C02 | C03 | 175.6° | 64.3° |
| O01 | C01 | C10 | H43 | 119.5° | 120.3° |
| O01 | C01 | C10 | C05 | 166.4° | 70.5° |
| O01 | C01 | C10 | H41 | 45.8° | 169.8° |
| O01 | C01 | C10 | H42 | 73.0° | 49.4° |
| C02 | C01 | C10 | H43 | 118.0° | 119.8° |
| C01 | C02 | C03 | O02 | 61.9° | 175.2° |
| C01 | C02 | C03 | C04 | 56.7° | 55.6° |
| C02 | C01 | C10 | C05 | 44.0° | 49.4° |
| C02 | C01 | C10 | H41 | 76.6° | 70.2° |
| C02 | C01 | C10 | H42 | 164.5° | 169.3° |
| C02 | C01 | O01 | H44 | 180.0° | 179.2° |
| C01 | C02 | C03 | H47 | 175.6° | 64.4° |
| C01 | C02 | C32 | H49 | 0.2° | 172.8° |
| C03 | C02 | C01 | C10 | 54.2° | 55.5° |
| C02 | C03 | O02 | C04 | 120.8° | 119.1° |
| C02 | C03 | O02 | H47 | 121.6° | 120.6° |
| C02 | C03 | C04 | H47 | 118.7° | 120.1° |
| C02 | C03 | C04 | C05 | 49.0° | 49.6° |
| C03 | C02 | C01 | H43 | 64.0° | 175.3° |
| C02 | C03 | C04 | H45 | 169.6° | 169.3° |
| C02 | C03 | C04 | H46 | 71.5° | 70.2° |
| C02 | C03 | O02 | H48 | 180.0° | 179.2° |
| C03 | C02 | C32 | H49 | 179.9° | 7.4° |
| C01 | C10 | C05 | H41 | 120.6° | 119.7° |
| C01 | C10 | C05 | H42 | 120.6° | 120.0° |
| C01 | C10 | C05 | C04 | 41.2° | 55.0° |
| C01 | C10 | C05 | C06 | 139.0° | 124.7° |
| C01 | C10 | H41 | H42 | 118.2° | 120.6° |
| C10 | C01 | O01 | H44 | 57.7° | 60.0° |
| O02 | C03 | C04 | H47 | 118.6° | 120.3° |
| O02 | C03 | C04 | C05 | 73.6° | 169.2° |
| O02 | C03 | C04 | H45 | 46.9° | 71.0° |
| O02 | C03 | C04 | H46 | 165.8° | 49.4° |
| C03 | C04 | C05 | C10 | 43.6° | 55.0° |
| C03 | C04 | C05 | H45 | 120.6° | 119.7° |
| C03 | C04 | C05 | H46 | 120.5° | 119.9° |
| C03 | C04 | C05 | C06 | 136.5° | 124.7° |
| C03 | C04 | H45 | H46 | 118.4° | 120.5° |
| C04 | C03 | O02 | H48 | 59.2° | 60.0° |
| C10 | C05 | C04 | C06 | 179.9° | 179.7° |
| C10 | C05 | C06 | C07 | 0.2° | 172.3° |
| C10 | C05 | C06 | H40 | 179.8° | 7.8° |
| C05 | C10 | H41 | H42 | 118.1° | 120.4° |
| C05 | C10 | C01 | H43 | 74.1° | 169.2° |
| C10 | C05 | C04 | H45 | 164.2° | 174.7° |
| C10 | C05 | C04 | H46 | 76.9° | 64.9° |
| C04 | C05 | C06 | C07 | 179.6° | 7.4° |
| C04 | C05 | C06 | H40 | 0.4° | 172.5° |
| C04 | C05 | C10 | H41 | 79.4° | 64.7° |
| C04 | C05 | C10 | H42 | 161.8° | 174.9° |
| C05 | C04 | H45 | H46 | 118.4° | 120.4° |
| C05 | C04 | C03 | H47 | 167.8° | 70.5° |
| C05 | C06 | C07 | H40 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 163.5° | 173.4° |
| C05 | C06 | C07 | H39 | 16.5° | 6.6° |
| C06 | C05 | C10 | H41 | 100.4° | 115.6° |
| C06 | C05 | C10 | H42 | 18.4° | 4.8° |
| C06 | C05 | C04 | H45 | 16.0° | 5.0° |
| C06 | C05 | C04 | H46 | 102.9° | 115.4° |
| C06 | C07 | C08 | H39 | 180.0° | 180.0° |
| C06 | C07 | C08 | C14 | 179.3° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C08 | C14 | C15 | 1.3° | 10.4° |
| C07 | C08 | C14 | C09 | 179.0° | 180.0° |
| C07 | C08 | C14 | C13 | 118.2° | 122.0° |
| C07 | C08 | C09 | C28 | 94.0° | 109.9° |
| C07 | C08 | C09 | C11 | 140.1° | 129.8° |
| C07 | C08 | C14 | H23 | 124.9° | 117.9° |
| C07 | C08 | C09 | H31 | 23.8° | 9.5° |
| C08 | C07 | C06 | H40 | 16.5° | 6.5° |
| C14 | C15 | C16 | H21 | 118.6° | 118.3° |
| C14 | C15 | C16 | H22 | 118.6° | 118.3° |
| C15 | C14 | C08 | C13 | 119.5° | 111.6° |
| C15 | C14 | C08 | H23 | 123.6° | 128.2° |
| C15 | C14 | C08 | C09 | 179.6° | 169.6° |
| C15 | C14 | C13 | H23 | 116.3° | 117.6° |
| C15 | C14 | C13 | C18 | 66.4° | 70.6° |
| C14 | C15 | C16 | C17 | 3.2° | 24.2° |
| C15 | C14 | C13 | C17 | 53.8° | 45.4° |
| C15 | C14 | C13 | C12 | 171.5° | 171.4° |
| C14 | C15 | C16 | H19 | 122.7° | 95.0° |
| C14 | C15 | C16 | H20 | 116.4° | 143.4° |
| C14 | C15 | H21 | H22 | 124.0° | 123.3° |
| C16 | C15 | C14 | C08 | 157.2° | 156.2° |
| C16 | C15 | C14 | C13 | 36.7° | 42.2° |
| C15 | C16 | C17 | H19 | 119.5° | 119.1° |
| C15 | C16 | C17 | H20 | 119.5° | 119.3° |
| C15 | C16 | C17 | C13 | 30.0° | 3.9° |
| C15 | C16 | C17 | C20 | 164.9° | 122.9° |
| C15 | C16 | C17 | H18 | 80.1° | 115.0° |
| C15 | C16 | H19 | H20 | 121.4° | 121.6° |
| C16 | C15 | H21 | H22 | 124.0° | 123.4° |
| C16 | C15 | C14 | H23 | 79.5° | 75.4° |
| C08 | C14 | C13 | H23 | 116.3° | 120.3° |
| C08 | C14 | C13 | C18 | 60.9° | 51.5° |
| C14 | C08 | C09 | C28 | 87.0° | 70.2° |
| C14 | C08 | C09 | C11 | 39.0° | 50.1° |
| C08 | C14 | C13 | C17 | 178.9° | 167.6° |
| C08 | C14 | C13 | C12 | 61.2° | 66.5° |
| C08 | C14 | C15 | H21 | 38.6° | 85.4° |
| C08 | C14 | C15 | H22 | 84.2° | 37.9° |
| C14 | C08 | C09 | H31 | 155.2° | 170.5° |
| C14 | C08 | C07 | H39 | 0.7° | 0.0° |
| C09 | C08 | C14 | C13 | 60.8° | 58.0° |
| C08 | C09 | C28 | C11 | 128.1° | 121.3° |
| C08 | C09 | C28 | H31 | 117.6° | 119.3° |
| C08 | C09 | C11 | H31 | 116.2° | 120.3° |
| C08 | C09 | C28 | C29 | 53.4° | 173.8° |
| C08 | C09 | C11 | C12 | 19.4° | 48.6° |
| C09 | C08 | C14 | H23 | 56.0° | 62.1° |
| C08 | C09 | C11 | H29 | 140.7° | 72.1° |
| C08 | C09 | C11 | H30 | 101.8° | 169.1° |
| C08 | C09 | C28 | H32 | 67.8° | 66.2° |
| C08 | C09 | C28 | H33 | 174.6° | 53.7° |
| C09 | C08 | C07 | H39 | 179.7° | 180.0° |
| C14 | C13 | C18 | C17 | 108.5° | 112.1° |
| C14 | C13 | C18 | C12 | 124.4° | 117.2° |
| C14 | C13 | C17 | C16 | 49.2° | 30.1° |
| C14 | C13 | C17 | C12 | 114.7° | 118.6° |
| C14 | C13 | C17 | C20 | 178.8° | 149.1° |
| C14 | C13 | C12 | C11 | 45.2° | 68.1° |
| C14 | C13 | C17 | H18 | 61.0° | 88.9° |
| C13 | C14 | C15 | H21 | 81.9° | 160.6° |
| C13 | C14 | C15 | H22 | 155.3° | 76.0° |
| C14 | C13 | C18 | H24 | 180.0° | 67.7° |
| C14 | C13 | C18 | H25 | 60.0° | 172.3° |
| C14 | C13 | C18 | H26 | 60.0° | 52.3° |
| C14 | C13 | C12 | H27 | 166.6° | 172.4° |
| C14 | C13 | C12 | H28 | 76.2° | 51.5° |
| C18 | C13 | C17 | C16 | 73.1° | 85.9° |
| C18 | C13 | C17 | C12 | 122.9° | 125.3° |
| C18 | C13 | C17 | C20 | 56.5° | 33.0° |
| C18 | C13 | C12 | C11 | 83.2° | 50.1° |
| C18 | C13 | C17 | H18 | 176.7° | 155.1° |
| C18 | C13 | C14 | H23 | 177.3° | 171.9° |
| C13 | C18 | H24 | H25 | 120.0° | 120.0° |
| C13 | C18 | H24 | H26 | 120.0° | 120.0° |
| C13 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C13 | C12 | H27 | 38.2° | 69.3° |
| C18 | C13 | C12 | H28 | 155.4° | 169.7° |
| C16 | C17 | C13 | C20 | 129.6° | 118.9° |
| C16 | C17 | C13 | H18 | 110.2° | 119.0° |
| C16 | C17 | C13 | C12 | 164.0° | 148.8° |
| C16 | C17 | C20 | H18 | 115.2° | 122.2° |
| C16 | C17 | C20 | C22 | 38.5° | 62.8° |
| C16 | C17 | C20 | C21 | 83.0° | 177.2° |
| C16 | C17 | C20 | H14 | 158.0° | 57.1° |
| C17 | C16 | H19 | H20 | 121.5° | 121.6° |
| C17 | C16 | C15 | H21 | 115.4° | 142.5° |
| C17 | C16 | C15 | H22 | 121.7° | 94.1° |
| C28 | C09 | C11 | H31 | 114.5° | 119.4° |
| C09 | C28 | C29 | H32 | 121.2° | 120.0° |
| C09 | C28 | C29 | H33 | 121.2° | 120.0° |
| C09 | C28 | C29 | C30 | 158.1° | 125.0° |
| C28 | C09 | C11 | C12 | 109.9° | 71.7° |
| C28 | C09 | C11 | H29 | 11.3° | 167.7° |
| C28 | C09 | C11 | H30 | 128.8° | 48.8° |
| C09 | C28 | H32 | H33 | 116.2° | 120.0° |
| C09 | C28 | C29 | H35 | 21.9° | 55.0° |
| C11 | C09 | C28 | C29 | 74.7° | 65.0° |
| C09 | C11 | C12 | C13 | 23.4° | 59.1° |
| C09 | C11 | C12 | H29 | 121.3° | 120.6° |
| C09 | C11 | C12 | H30 | 121.2° | 120.5° |
| C09 | C11 | C12 | H27 | 144.8° | 178.5° |
| C09 | C11 | C12 | H28 | 98.0° | 60.5° |
| C09 | C11 | H29 | H30 | 116.1° | 118.8° |
| C11 | C09 | C28 | H32 | 164.1° | 55.0° |
| C11 | C09 | C28 | H33 | 46.5° | 175.0° |
| C28 | C29 | C30 | H35 | 180.0° | 179.9° |
| C29 | C28 | C09 | H31 | 171.0° | 54.4° |
| C29 | C28 | H32 | H33 | 116.2° | 120.0° |
| C28 | C29 | C30 | H36 | 180.0° | 0.1° |
| C28 | C29 | C30 | H37 | 0.0° | 180.0° |
| C13 | C17 | C20 | H18 | 120.3° | 122.1° |
| C17 | C13 | C12 | C11 | 149.5° | 175.6° |
| C13 | C17 | C20 | C22 | 86.0° | 178.5° |
| C13 | C17 | C20 | C21 | 152.4° | 61.4° |
| C13 | C17 | C20 | H14 | 33.5° | 58.6° |
| C13 | C17 | C16 | H19 | 89.5° | 123.1° |
| C13 | C17 | C16 | H20 | 149.5° | 115.3° |
| C17 | C13 | C14 | H23 | 62.5° | 72.1° |
| C17 | C13 | C18 | H24 | 71.5° | 44.3° |
| C17 | C13 | C18 | H25 | 168.5° | 75.7° |
| C17 | C13 | C18 | H26 | 48.5° | 164.4° |
| C17 | C13 | C12 | H27 | 89.1° | 56.2° |
| C17 | C13 | C12 | H28 | 28.1° | 64.8° |
| C12 | C13 | C17 | C20 | 66.4° | 92.3° |
| C13 | C12 | C11 | H27 | 121.4° | 119.4° |
| C13 | C12 | C11 | H28 | 121.4° | 119.6° |
| C12 | C13 | C17 | H18 | 53.8° | 29.8° |
| C12 | C13 | C14 | H23 | 55.2° | 53.8° |
| C12 | C13 | C18 | H24 | 55.6° | 175.0° |
| C12 | C13 | C18 | H25 | 64.4° | 55.1° |
| C12 | C13 | C18 | H26 | 175.6° | 64.9° |
| C13 | C12 | H27 | H28 | 115.5° | 120.9° |
| C13 | C12 | C11 | H29 | 144.7° | 61.5° |
| C13 | C12 | C11 | H30 | 97.8° | 179.6° |
| C27 | C25 | C24 | O03 | 118.1° | 120.0° |
| C27 | C25 | C24 | C26 | 124.4° | 120.0° |
| C27 | C25 | C24 | C23 | 173.3° | 175.0° |
| C27 | C25 | O03 | C26 | 119.7° | 120.0° |
| C27 | C25 | O03 | H1 | 180.0° | 60.0° |
| 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° | 120.0° |
| C27 | C25 | C24 | H8 | 52.0° | 55.0° |
| C27 | C25 | C24 | H9 | 65.3° | 65.0° |
| C30 | C29 | C28 | H32 | 80.7° | 5.0° |
| C30 | C29 | C28 | H33 | 36.9° | 115.0° |
| C29 | C30 | H36 | H37 | 180.0° | 179.9° |
| C17 | C20 | C22 | C23 | 140.0° | 175.0° |
| C17 | C20 | C22 | C21 | 125.1° | 120.0° |
| C17 | C20 | C22 | H14 | 119.2° | 120.0° |
| C17 | C20 | C21 | H14 | 118.6° | 120.0° |
| C17 | C20 | C22 | H12 | 99.6° | 65.1° |
| C17 | C20 | C22 | H13 | 19.5° | 55.0° |
| C17 | C20 | C21 | H15 | 180.0° | 60.0° |
| C17 | C20 | C21 | H16 | 60.0° | 60.1° |
| C17 | C20 | C21 | H17 | 60.0° | 180.0° |
| C20 | C17 | C16 | H19 | 45.3° | 118.0° |
| C20 | C17 | C16 | H20 | 75.6° | 3.6° |
| C25 | C24 | C23 | H8 | 121.3° | 120.0° |
| C25 | C24 | C23 | H9 | 121.4° | 120.0° |
| C25 | C24 | C23 | C22 | 145.6° | 180.0° |
| C24 | C25 | O03 | C26 | 120.4° | 120.0° |
| C24 | C25 | O03 | H1 | 60.1° | 180.0° |
| C24 | C25 | C26 | H2 | 55.1° | 180.0° |
| C24 | C25 | C26 | H3 | 64.9° | 60.0° |
| C24 | C25 | C26 | H4 | 175.1° | 60.0° |
| C24 | C25 | C27 | H5 | 180.0° | 60.0° |
| C24 | C25 | C27 | H6 | 60.0° | 60.0° |
| C24 | C25 | C27 | H7 | 60.0° | 180.0° |
| C25 | C24 | H8 | H9 | 115.7° | 120.0° |
| C25 | C24 | C23 | H10 | 94.0° | 60.1° |
| C25 | C24 | C23 | H11 | 25.2° | 60.0° |
| C24 | C23 | C22 | H10 | 120.4° | 119.9° |
| C24 | C23 | C22 | H11 | 120.4° | 120.0° |
| C24 | C23 | C22 | C20 | 171.1° | 180.0° |
| C23 | C24 | C25 | O03 | 55.2° | 65.0° |
| C23 | C24 | C25 | C26 | 62.3° | 55.0° |
| C23 | C24 | H8 | H9 | 115.7° | 120.0° |
| C24 | C23 | H10 | H11 | 118.8° | 120.0° |
| C24 | C23 | C22 | H12 | 68.4° | 60.1° |
| C24 | C23 | C22 | H13 | 50.6° | 60.0° |
| C11 | C12 | H27 | H28 | 115.6° | 121.0° |
| C12 | C11 | H29 | H30 | 116.1° | 118.9° |
| C12 | C11 | C09 | H31 | 135.6° | 168.9° |
| C23 | C22 | C20 | H12 | 120.5° | 119.9° |
| C23 | C22 | C20 | H13 | 120.5° | 120.0° |
| C23 | C22 | C20 | C21 | 95.0° | 65.0° |
| C22 | C23 | C24 | H8 | 24.3° | 60.0° |
| C22 | C23 | C24 | H9 | 93.0° | 60.0° |
| C22 | C23 | H10 | H11 | 118.7° | 120.1° |
| C23 | C22 | H12 | H13 | 118.5° | 120.1° |
| C23 | C22 | C20 | H14 | 20.7° | 55.0° |
| C22 | C20 | C21 | H14 | 115.7° | 120.0° |
| C20 | C22 | C23 | H10 | 50.7° | 60.1° |
| C20 | C22 | C23 | H11 | 68.5° | 60.0° |
| C20 | C22 | H12 | H13 | 118.6° | 120.0° |
| C22 | C20 | C21 | H15 | 54.3° | 60.0° |
| C22 | C20 | C21 | H16 | 65.7° | 179.9° |
| C22 | C20 | C21 | H17 | 174.3° | 60.1° |
| C22 | C20 | C17 | H18 | 153.7° | 59.4° |
| O03 | C25 | C26 | H2 | 61.5° | 60.0° |
| O03 | C25 | C26 | H3 | 178.5° | 180.0° |
| O03 | C25 | C26 | H4 | 58.5° | 60.0° |
| O03 | C25 | C27 | H5 | 63.3° | 60.0° |
| O03 | C25 | C27 | H6 | 176.7° | 180.0° |
| O03 | C25 | C27 | H7 | 56.7° | 60.0° |
| O03 | C25 | C24 | H8 | 66.1° | 175.0° |
| O03 | C25 | C24 | H9 | 176.6° | 55.0° |
| C26 | C25 | O03 | H1 | 60.3° | 60.1° |
| C25 | C26 | H2 | H3 | 120.0° | 120.0° |
| C25 | C26 | H2 | H4 | 120.0° | 120.0° |
| C25 | C26 | H3 | H4 | 120.0° | 120.0° |
| C26 | C25 | C27 | H5 | 54.6° | 180.0° |
| C26 | C25 | C27 | H6 | 65.4° | 60.0° |
| C26 | C25 | C27 | H7 | 174.7° | 60.0° |
| C26 | C25 | C24 | H8 | 176.4° | 65.0° |
| C26 | C25 | C24 | H9 | 59.1° | 175.0° |
| C21 | C20 | C22 | H12 | 25.5° | 55.0° |
| C21 | C20 | C22 | H13 | 144.5° | 175.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 119.9° |
| C21 | C20 | C17 | H18 | 32.2° | 60.6° |
| H2 | C26 | H3 | H4 | 120.0° | 120.0° |
| H5 | C27 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C23 | H10 | 144.7° | 180.0° |
| H8 | C24 | C23 | H11 | 96.1° | 60.0° |
| H9 | C24 | C23 | H10 | 27.4° | 60.0° |
| H9 | C24 | C23 | H11 | 146.6° | NaN° |
| H10 | C23 | C22 | H12 | 171.2° | 180.0° |
| H10 | C23 | C22 | H13 | 69.8° | 60.0° |
| H11 | C23 | C22 | H12 | 52.0° | 60.0° |
| H11 | C23 | C22 | H13 | 171.1° | 180.0° |
| H12 | C22 | C20 | H14 | 141.2° | 175.0° |
| H13 | C22 | C20 | H14 | 99.7° | 65.0° |
| H14 | C20 | C21 | H15 | 61.3° | 180.0° |
| H14 | C20 | C21 | H16 | 178.6° | 59.9° |
| H14 | C20 | C21 | H17 | 58.7° | 60.0° |
| H14 | C20 | C17 | H18 | 86.8° | 179.3° |
| H15 | C21 | H16 | H17 | 120.0° | 120.1° |
| H18 | C17 | C16 | H19 | 160.4° | 4.2° |
| H18 | C17 | C16 | H20 | 39.4° | 125.7° |
| H19 | C16 | C15 | H21 | 4.1° | 23.3° |
| H19 | C16 | C15 | H22 | 118.7° | 146.7° |
| H20 | C16 | C15 | H21 | 125.0° | 98.3° |
| H20 | C16 | C15 | H22 | 2.2° | 25.2° |
| H21 | C15 | C14 | H23 | 161.8° | 43.0° |
| H22 | C15 | C14 | H23 | 39.1° | 166.3° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C12 | C11 | H29 | 93.9° | 57.9° |
| H27 | C12 | C11 | H30 | 23.6° | 61.0° |
| H28 | C12 | C11 | H29 | 23.3° | 178.9° |
| H28 | C12 | C11 | H30 | 140.8° | 60.0° |
| H29 | C11 | C09 | H31 | 103.2° | 48.2° |
| H30 | C11 | C09 | H31 | 14.4° | 70.6° |
| H31 | C09 | C28 | H32 | 49.8° | 174.4° |
| H31 | C09 | C28 | H33 | 67.8° | 65.6° |
| H32 | C28 | C29 | H35 | 99.3° | 174.9° |
| H33 | C28 | C29 | H35 | 143.1° | 65.0° |
| H35 | C29 | C30 | H36 | 0.0° | 180.0° |
| H35 | C29 | C30 | H37 | 180.0° | 0.1° |
| H39 | C07 | C06 | H40 | 163.5° | 173.4° |
| H41 | C10 | C01 | H43 | 165.3° | 49.6° |
| H42 | C10 | C01 | H43 | 46.5° | 70.9° |
| H43 | C01 | O01 | H44 | 60.7° | 60.4° |
| H45 | C04 | C03 | H47 | 71.7° | 49.2° |
| H46 | C04 | C03 | H47 | 47.2° | 169.6° |
| H47 | C03 | O02 | H48 | 58.4° | 60.3° |
| H49 | C32 | C33 | H50 | 106.1° | 76.1° |
| H49 | C32 | C33 | H51 | 134.2° | 163.8° |
| H50 | C33 | O04 | H52 | 59.9° | 60.1° |
| H51 | C33 | O04 | H52 | 59.9° | 60.0° |
