TKA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C02 | doub | 1.31Å | 1.37Å | |
| O01 | C01 | sing | 1.43Å | 1.46Å | |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C01 | C10 | sing | 1.53Å | 1.57Å | |
| C03 | O02 | sing | 1.43Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C10 | C05 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C05 | C06 | doub | 1.33Å | 1.32Å | |
| C06 | C07 | sing | 1.47Å | 1.45Å | |
| C07 | C08 | doub | 1.33Å | 1.34Å | |
| C08 | C09 | sing | 1.51Å | 1.56Å | |
| C08 | C14 | sing | 1.50Å | 1.57Å | |
| C18 | C13 | sing | 1.53Å | 1.62Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.56Å | 1.52Å | |
| C09 | C11 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.55Å | 1.58Å | |
| C36 | C35 | sing | 1.53Å | 1.60Å | |
| C36 | C31 | sing | 1.53Å | 1.60Å | |
| C35 | C37 | sing | 1.53Å | 1.58Å | |
| C35 | C38 | sing | 1.53Å | 1.60Å | |
| C11 | C12 | sing | 1.54Å | 1.58Å | |
| C16 | C17 | sing | 1.55Å | 1.59Å | |
| C13 | C12 | sing | 1.51Å | 1.59Å | |
| C13 | C17 | sing | 1.52Å | 1.56Å | |
| C37 | C29 | sing | 1.53Å | 1.60Å | |
| C17 | C20 | sing | 1.53Å | 1.59Å | |
| C31 | C30 | sing | 1.53Å | 1.59Å | |
| C31 | C32 | sing | 1.53Å | 1.58Å | |
| C30 | C29 | sing | 1.53Å | 1.59Å | |
| C38 | C33 | sing | 1.53Å | 1.60Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.58Å | |
| C29 | C25 | sing | 1.53Å | 1.56Å | |
| C29 | C34 | sing | 1.53Å | 1.64Å | |
| C25 | C24 | sing | 1.47Å | 1.45Å | |
| C25 | O03 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | trip | 1.17Å | 1.18Å | |
| C23 | C22 | sing | 1.47Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.60Å | |
| C33 | C34 | sing | 1.53Å | 1.59Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C33 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C38 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| O03 | H17 | sing | 0.97Å | 0.95Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C09 | H34 | sing | 1.09Å | 1.10Å | |
| C09 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C07 | H39 | sing | 1.08Å | 1.08Å | |
| C06 | H40 | sing | 1.08Å | 1.08Å | |
| C04 | H41 | sing | 1.09Å | 1.10Å | |
| C04 | H42 | sing | 1.09Å | 1.10Å | |
| C03 | H43 | sing | 1.09Å | 1.10Å | |
| C01 | H44 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.08Å | 1.08Å | |
| C28 | H48 | sing | 1.08Å | 1.08Å | |
| O01 | H49 | sing | 0.97Å | 0.95Å | |
| O02 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C02 | C01 | 123.1° | 120.6° |
| C28 | C02 | C03 | 124.8° | 120.6° |
| C02 | C28 | H47 | 120.0° | 120.0° |
| C02 | C28 | H48 | 120.0° | 120.1° |
| O01 | C01 | C02 | 108.3° | 109.6° |
| O01 | C01 | C10 | 110.2° | 109.7° |
| O01 | C01 | H44 | 110.7° | 109.7° |
| C01 | O01 | H49 | 109.5° | 114.0° |
| C01 | C02 | C03 | 112.1° | 118.8° |
| C02 | C01 | C10 | 108.9° | 108.7° |
| C02 | C01 | H44 | 109.6° | 109.6° |
| C02 | C03 | O02 | 108.3° | 109.6° |
| C02 | C03 | C04 | 111.7° | 108.6° |
| C02 | C03 | H43 | 108.6° | 109.8° |
| C01 | C10 | C05 | 116.9° | 108.9° |
| C10 | C01 | H44 | 109.2° | 109.5° |
| C01 | C10 | H45 | 107.6° | 109.6° |
| C01 | C10 | H46 | 107.6° | 109.6° |
| O02 | C03 | C04 | 109.7° | 109.6° |
| O02 | C03 | H43 | 110.0° | 109.6° |
| C03 | O02 | H50 | 109.5° | 114.0° |
| C03 | C04 | C05 | 113.4° | 108.6° |
| C03 | C04 | H41 | 108.5° | 109.6° |
| C03 | C04 | H42 | 108.5° | 109.8° |
| C04 | C03 | H43 | 108.5° | 109.6° |
| C10 | C05 | C04 | 114.5° | 118.9° |
| C10 | C05 | C06 | 128.2° | 120.5° |
| C05 | C10 | H45 | 107.6° | 109.7° |
| C05 | C10 | H46 | 107.6° | 109.3° |
| C04 | C05 | C06 | 117.3° | 120.6° |
| C05 | C04 | H41 | 108.5° | 109.6° |
| C05 | C04 | H42 | 108.5° | 109.6° |
| C05 | C06 | C07 | 128.4° | 120.0° |
| C05 | C06 | H40 | 115.8° | 120.0° |
| C06 | C07 | C08 | 126.8° | 120.0° |
| C06 | C07 | H39 | 116.6° | 120.0° |
| C07 | C06 | H40 | 115.8° | 120.0° |
| C07 | C08 | C09 | 126.8° | 122.4° |
| C07 | C08 | C14 | 124.2° | 121.8° |
| C08 | C07 | H39 | 116.6° | 120.0° |
| C09 | C08 | C14 | 108.9° | 115.8° |
| C08 | C09 | C11 | 108.6° | 110.8° |
| C08 | C09 | H34 | 109.7° | 109.4° |
| C08 | C09 | H35 | 109.7° | 108.9° |
| C08 | C14 | C15 | 118.4° | 117.1° |
| C08 | C14 | C13 | 105.7° | 105.5° |
| C08 | C14 | H25 | 109.6° | 110.7° |
| C18 | C13 | C14 | 116.5° | 108.6° |
| C18 | C13 | C12 | 109.4° | 109.3° |
| C18 | C13 | C17 | 111.0° | 109.2° |
| C13 | C18 | H36 | 109.5° | 109.5° |
| C13 | C18 | H37 | 109.4° | 109.5° |
| C13 | C18 | H38 | 109.5° | 109.5° |
| C14 | C15 | C16 | 102.6° | 102.7° |
| C15 | C14 | C13 | 103.4° | 101.3° |
| C15 | C14 | H25 | 109.8° | 110.8° |
| C14 | C15 | H26 | 111.1° | 110.8° |
| C14 | C15 | H27 | 111.1° | 110.7° |
| C15 | C16 | C17 | 107.6° | 106.2° |
| C16 | C15 | H26 | 111.2° | 110.8° |
| C16 | C15 | H27 | 111.2° | 110.7° |
| C15 | C16 | H28 | 109.9° | 110.1° |
| C15 | C16 | H29 | 110.0° | 110.0° |
| C09 | C11 | C12 | 109.9° | 111.8° |
| C09 | C11 | H32 | 109.4° | 109.0° |
| C09 | C11 | H33 | 109.4° | 109.0° |
| C11 | C09 | H34 | 109.7° | 109.3° |
| C11 | C09 | H35 | 109.7° | 109.2° |
| C14 | C13 | C12 | 107.5° | 107.6° |
| C14 | C13 | C17 | 96.9° | 103.2° |
| C13 | C14 | H25 | 109.4° | 110.9° |
| C35 | C36 | C31 | 109.2° | 109.4° |
| C36 | C35 | C37 | 108.8° | 109.5° |
| C36 | C35 | C38 | 109.7° | 109.5° |
| C35 | C36 | H11 | 109.6° | 109.5° |
| C35 | C36 | H12 | 109.5° | 109.5° |
| C36 | C35 | H15 | 109.6° | 109.5° |
| C36 | C31 | C30 | 110.2° | 109.5° |
| C36 | C31 | C32 | 110.0° | 109.5° |
| C36 | C31 | H3 | 109.2° | 109.4° |
| C31 | C36 | H11 | 109.5° | 109.5° |
| C31 | C36 | H12 | 109.6° | 109.5° |
| C37 | C35 | C38 | 109.5° | 109.5° |
| C35 | C37 | C29 | 111.0° | 109.4° |
| C35 | C37 | H9 | 109.1° | 109.5° |
| C35 | C37 | H10 | 109.1° | 109.5° |
| C37 | C35 | H15 | 109.8° | 109.4° |
| C35 | C38 | C33 | 109.8° | 109.4° |
| C35 | C38 | H13 | 109.4° | 109.5° |
| C35 | C38 | H14 | 109.4° | 109.5° |
| C38 | C35 | H15 | 109.5° | 109.4° |
| C11 | C12 | C13 | 110.5° | 107.6° |
| C11 | C12 | H30 | 109.2° | 109.9° |
| C11 | C12 | H31 | 109.2° | 109.8° |
| C12 | C11 | H32 | 109.4° | 109.0° |
| C12 | C11 | H33 | 109.3° | 109.0° |
| C16 | C17 | C13 | 102.6° | 105.2° |
| C16 | C17 | C20 | 114.2° | 110.3° |
| C16 | C17 | H24 | 107.0° | 110.3° |
| C17 | C16 | H28 | 109.9° | 110.2° |
| C17 | C16 | H29 | 109.9° | 110.0° |
| C12 | C13 | C17 | 115.4° | 118.3° |
| C13 | C12 | H30 | 109.2° | 109.9° |
| C13 | C12 | H31 | 109.2° | 109.8° |
| C13 | C17 | C20 | 118.2° | 110.4° |
| C13 | C17 | H24 | 107.3° | 110.3° |
| C37 | C29 | C30 | 108.6° | 109.5° |
| C37 | C29 | C25 | 111.8° | 109.5° |
| C37 | C29 | C34 | 109.1° | 109.5° |
| C29 | C37 | H9 | 109.1° | 109.4° |
| C29 | C37 | H10 | 109.1° | 109.5° |
| C17 | C20 | C22 | 108.1° | 109.5° |
| C17 | C20 | C21 | 115.0° | 109.4° |
| C17 | C20 | H20 | 108.5° | 109.5° |
| C20 | C17 | H24 | 107.0° | 110.3° |
| C30 | C31 | C32 | 108.6° | 109.5° |
| C31 | C30 | C29 | 110.3° | 109.5° |
| C31 | C30 | H1 | 109.2° | 109.4° |
| C31 | C30 | H2 | 109.3° | 109.4° |
| C30 | C31 | H3 | 109.3° | 109.5° |
| C31 | C32 | C33 | 110.2° | 109.4° |
| C32 | C31 | H3 | 109.4° | 109.5° |
| C31 | C32 | H4 | 109.3° | 109.5° |
| C31 | C32 | H5 | 109.3° | 109.5° |
| C30 | C29 | C25 | 104.9° | 109.4° |
| C30 | C29 | C34 | 108.2° | 109.5° |
| C29 | C30 | H1 | 109.3° | 109.5° |
| C29 | C30 | H2 | 109.3° | 109.6° |
| C38 | C33 | C32 | 109.5° | 109.5° |
| C38 | C33 | C34 | 109.7° | 109.5° |
| C38 | C33 | H6 | 109.5° | 109.4° |
| C33 | C38 | H13 | 109.4° | 109.5° |
| C33 | C38 | H14 | 109.4° | 109.4° |
| C22 | C20 | C21 | 107.4° | 109.5° |
| C20 | C22 | C23 | 105.9° | 109.5° |
| C20 | C22 | H18 | 110.4° | 109.5° |
| C20 | C22 | H19 | 110.4° | 109.4° |
| C22 | C20 | H20 | 109.0° | 109.5° |
| C21 | C20 | H20 | 108.7° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.4° |
| C20 | C21 | H22 | 109.5° | 109.4° |
| C20 | C21 | H23 | 109.5° | 109.4° |
| C25 | C29 | C34 | 114.0° | 109.5° |
| C29 | C25 | C24 | 110.3° | 109.5° |
| C29 | C25 | O03 | 111.0° | 109.4° |
| C29 | C25 | H16 | 108.3° | 109.5° |
| C29 | C34 | C33 | 109.2° | 109.4° |
| C29 | C34 | H7 | 109.6° | 109.5° |
| C29 | C34 | H8 | 109.6° | 109.5° |
| C24 | C25 | O03 | 107.7° | 109.4° |
| C25 | C24 | C23 | 175.7° | 180.0° |
| C24 | C25 | H16 | 109.7° | 109.5° |
| O03 | C25 | H16 | 109.9° | 109.5° |
| C25 | O03 | H17 | 109.5° | 114.0° |
| C24 | C23 | C22 | 175.9° | 180.0° |
| C23 | C22 | H18 | 110.3° | 109.5° |
| C23 | C22 | H19 | 110.4° | 109.5° |
| C32 | C33 | C34 | 109.0° | 109.5° |
| C33 | C32 | H4 | 109.3° | 109.5° |
| C33 | C32 | H5 | 109.3° | 109.5° |
| C32 | C33 | H6 | 109.5° | 109.5° |
| C34 | C33 | H6 | 109.6° | 109.4° |
| C33 | C34 | H7 | 109.6° | 109.5° |
| C33 | C34 | H8 | 109.5° | 109.5° |
| H1 | C30 | H2 | 109.4° | 109.4° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H7 | C34 | H8 | 109.5° | 109.4° |
| H9 | C37 | H10 | 109.5° | 109.5° |
| H11 | C36 | H12 | 109.5° | 109.4° |
| H13 | C38 | H14 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.4° | 109.5° |
| H21 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 110.8° |
| H28 | C16 | H29 | 109.5° | 110.2° |
| H30 | C12 | H31 | 109.5° | 109.8° |
| H32 | C11 | H33 | 109.5° | 109.0° |
| H34 | C09 | H35 | 109.5° | 109.2° |
| H36 | C18 | H37 | 109.5° | 109.4° |
| H36 | C18 | H38 | 109.4° | 109.4° |
| H37 | C18 | H38 | 109.5° | 109.5° |
| H41 | C04 | H42 | 109.5° | 109.6° |
| H45 | C10 | H46 | 109.5° | 109.8° |
| H47 | C28 | H48 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C02 | C01 | O01 | 0.7° | 4.7° |
| C28 | C02 | C01 | C03 | 177.5° | 179.7° |
| C28 | C02 | C01 | C10 | 120.5° | 124.7° |
| C28 | C02 | C03 | O02 | 121.6° | 115.7° |
| C28 | C02 | C03 | C04 | 117.5° | 124.6° |
| C28 | C02 | C03 | H43 | 2.1° | 4.7° |
| C28 | C02 | C01 | H44 | 120.2° | 115.7° |
| C02 | C28 | H47 | H48 | 180.0° | 180.0° |
| O01 | C01 | C02 | C10 | 119.8° | 119.9° |
| O01 | C01 | C02 | H44 | 120.9° | 120.5° |
| O01 | C01 | C02 | C03 | 176.8° | 175.0° |
| O01 | C01 | C10 | H44 | 121.8° | 120.5° |
| O01 | C01 | C10 | C05 | 166.8° | 169.0° |
| O01 | C01 | C10 | H45 | 45.7° | 71.0° |
| O01 | C01 | C10 | H46 | 72.2° | 49.6° |
| C02 | C01 | C10 | H44 | 119.6° | 119.6° |
| C01 | C02 | C03 | O02 | 61.0° | 64.5° |
| C01 | C02 | C03 | C04 | 59.9° | 55.2° |
| C02 | C01 | C10 | C05 | 48.2° | 49.2° |
| C01 | C02 | C03 | H43 | 179.5° | 175.1° |
| C02 | C01 | C10 | H45 | 72.9° | 169.2° |
| C02 | C01 | C10 | H46 | 169.2° | 70.3° |
| C01 | C02 | C28 | H47 | 177.1° | 0.1° |
| C01 | C02 | C28 | H48 | 2.9° | 179.9° |
| C02 | C01 | O01 | H49 | 180.0° | 59.9° |
| C03 | C02 | C01 | C10 | 57.0° | 55.1° |
| C02 | C03 | O02 | C04 | 122.2° | 119.1° |
| C02 | C03 | O02 | H43 | 118.5° | 120.5° |
| C02 | C03 | C04 | H43 | 119.7° | 120.0° |
| C02 | C03 | C04 | C05 | 50.2° | 49.4° |
| C02 | C03 | C04 | H41 | 170.8° | 70.3° |
| C02 | C03 | C04 | H42 | 70.4° | 169.3° |
| C03 | C02 | C01 | H44 | 62.3° | 64.5° |
| C03 | C02 | C28 | H47 | 0.0° | 179.8° |
| C03 | C02 | C28 | H48 | 180.0° | 0.2° |
| C02 | C03 | O02 | H50 | 180.0° | 60.9° |
| C01 | C10 | C05 | H45 | 121.1° | 120.0° |
| C01 | C10 | C05 | H46 | 121.0° | 119.7° |
| C01 | C10 | C05 | C04 | 41.0° | 54.9° |
| C01 | C10 | C05 | C06 | 138.3° | 124.8° |
| C01 | C10 | H45 | H46 | 116.6° | 120.4° |
| C10 | C01 | O01 | H49 | 61.0° | 179.2° |
| O02 | C03 | C04 | H43 | 120.2° | 120.4° |
| O02 | C03 | C04 | C05 | 69.9° | 70.3° |
| O02 | C03 | C04 | H41 | 50.7° | 170.0° |
| O02 | C03 | C04 | H42 | 169.5° | 49.6° |
| C03 | C04 | C05 | C10 | 40.7° | 55.0° |
| C03 | C04 | C05 | H41 | 120.6° | 119.7° |
| C03 | C04 | C05 | H42 | 120.6° | 119.9° |
| C03 | C04 | C05 | C06 | 138.6° | 124.7° |
| C03 | C04 | H41 | H42 | 118.2° | 120.5° |
| C04 | C03 | O02 | H50 | 57.8° | 180.0° |
| C10 | C05 | C04 | C06 | 179.3° | 179.7° |
| C10 | C05 | C06 | C07 | 0.1° | 4.9° |
| C10 | C05 | C06 | H40 | 180.0° | 175.2° |
| C10 | C05 | C04 | H41 | 161.3° | 64.8° |
| C10 | C05 | C04 | H42 | 79.8° | 174.9° |
| C05 | C10 | C01 | H44 | 71.4° | 70.5° |
| C05 | C10 | H45 | H46 | 116.6° | 120.1° |
| C04 | C05 | C06 | C07 | 179.3° | 174.8° |
| C04 | C05 | C06 | H40 | 0.7° | 5.2° |
| C05 | C04 | H41 | H42 | 118.2° | 120.4° |
| C05 | C04 | C03 | H43 | 169.8° | 169.4° |
| C04 | C05 | C10 | H45 | 80.1° | 174.9° |
| C04 | C05 | C10 | H46 | 162.0° | 64.7° |
| C05 | C06 | C07 | H40 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 144.6° | 174.8° |
| C05 | C06 | C07 | H39 | 35.3° | 5.3° |
| C06 | C05 | C04 | H41 | 18.0° | 115.5° |
| C06 | C05 | C04 | H42 | 100.9° | 4.8° |
| C06 | C05 | C10 | H45 | 100.7° | 4.8° |
| C06 | C05 | C10 | H46 | 17.2° | 115.6° |
| C06 | C07 | C08 | H39 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.6° | 0.0° |
| C06 | C07 | C08 | C14 | 179.1° | 179.5° |
| C07 | C08 | C09 | C14 | 178.7° | 179.5° |
| C07 | C08 | C14 | C15 | 4.3° | 10.2° |
| C07 | C08 | C09 | C11 | 113.7° | 129.8° |
| C07 | C08 | C14 | C13 | 110.9° | 121.9° |
| C07 | C08 | C14 | H25 | 131.3° | 118.0° |
| C07 | C08 | C09 | H34 | 126.4° | 9.3° |
| C07 | C08 | C09 | H35 | 6.1° | 110.0° |
| C08 | C07 | C06 | H40 | 35.3° | 5.2° |
| C09 | C08 | C14 | C15 | 177.0° | 169.3° |
| C08 | C09 | C11 | H34 | 119.9° | 120.6° |
| C08 | C09 | C11 | H35 | 119.9° | 119.9° |
| C09 | C08 | C14 | C13 | 67.8° | 57.6° |
| C08 | C09 | C11 | C12 | 58.2° | 48.2° |
| C09 | C08 | C14 | H25 | 50.0° | 62.4° |
| C08 | C09 | C11 | H32 | 178.3° | 72.3° |
| C08 | C09 | C11 | H33 | 61.9° | 168.8° |
| C08 | C09 | H34 | H35 | 120.4° | 119.1° |
| C09 | C08 | C07 | H39 | 179.4° | 180.0° |
| C08 | C14 | C13 | C18 | 58.9° | 52.2° |
| C08 | C14 | C15 | C13 | 116.5° | 114.1° |
| C08 | C14 | C15 | H25 | 126.9° | 128.2° |
| C08 | C14 | C15 | C16 | 154.0° | 156.5° |
| C14 | C08 | C09 | C11 | 64.9° | 49.7° |
| C08 | C14 | C13 | H25 | 117.9° | 119.9° |
| C08 | C14 | C13 | C12 | 64.1° | 66.0° |
| C08 | C14 | C13 | C17 | 176.5° | 168.1° |
| C08 | C14 | C15 | H26 | 35.1° | 38.1° |
| C08 | C14 | C15 | H27 | 87.1° | 85.3° |
| C14 | C08 | C09 | H34 | 54.9° | 170.3° |
| C14 | C08 | C09 | H35 | 175.2° | 70.4° |
| C14 | C08 | C07 | H39 | 0.9° | 0.5° |
| C18 | C13 | C14 | C15 | 66.2° | 70.3° |
| C18 | C13 | C14 | C12 | 123.1° | 118.2° |
| C18 | C13 | C14 | C17 | 117.6° | 115.9° |
| C18 | C13 | C12 | C11 | 67.4° | 49.8° |
| C18 | C13 | C17 | C16 | 77.6° | 85.3° |
| C18 | C13 | C12 | C17 | 125.9° | 125.8° |
| C18 | C13 | C17 | C20 | 49.0° | 33.7° |
| C18 | C13 | C17 | H24 | 169.9° | 155.8° |
| C18 | C13 | C14 | H25 | 176.8° | 172.1° |
| C18 | C13 | C12 | H30 | 172.5° | 69.8° |
| C18 | C13 | C12 | H31 | 52.8° | 169.3° |
| C13 | C18 | H36 | H37 | 120.0° | 120.0° |
| C13 | C18 | H36 | H38 | 120.0° | 120.0° |
| C13 | C18 | H37 | H38 | 120.0° | 120.1° |
| C14 | C15 | C16 | H26 | 118.9° | 118.4° |
| C14 | C15 | C16 | H27 | 118.9° | 118.3° |
| C15 | C14 | C13 | H25 | 116.9° | 117.6° |
| C14 | C15 | C16 | C17 | 8.6° | 24.3° |
| C15 | C14 | C13 | C12 | 170.7° | 171.5° |
| C15 | C14 | C13 | C17 | 51.3° | 45.6° |
| C14 | C15 | H26 | H27 | 123.2° | 123.3° |
| C14 | C15 | C16 | H28 | 128.3° | 95.0° |
| C14 | C15 | C16 | H29 | 111.1° | 143.4° |
| C16 | C15 | C14 | C13 | 37.5° | 42.4° |
| C15 | C16 | C17 | H28 | 119.7° | 119.2° |
| C15 | C16 | C17 | H29 | 119.7° | 119.1° |
| C15 | C16 | C17 | C13 | 23.5° | 3.8° |
| C15 | C16 | C17 | C20 | 152.6° | 122.8° |
| C15 | C16 | C17 | H24 | 89.2° | 115.1° |
| C16 | C15 | C14 | H25 | 79.1° | 75.3° |
| C16 | C15 | H26 | H27 | 123.2° | 123.3° |
| C15 | C16 | H28 | H29 | 120.9° | 121.6° |
| C09 | C11 | C12 | H32 | 120.1° | 120.6° |
| C09 | C11 | C12 | H33 | 120.1° | 120.6° |
| C09 | C11 | C12 | C13 | 56.8° | 59.0° |
| C09 | C11 | C12 | H30 | 63.3° | 178.6° |
| C09 | C11 | C12 | H31 | 177.0° | 60.5° |
| C09 | C11 | H32 | H33 | 119.8° | 118.9° |
| C11 | C09 | H34 | H35 | 120.4° | 119.4° |
| C14 | C13 | C12 | C11 | 60.0° | 68.0° |
| C14 | C13 | C17 | C16 | 44.2° | 30.1° |
| C14 | C13 | C12 | C17 | 106.8° | 116.4° |
| C14 | C13 | C17 | C20 | 170.8° | 149.1° |
| C14 | C13 | C17 | H24 | 68.3° | 88.8° |
| C13 | C14 | C15 | H26 | 81.4° | 76.0° |
| C13 | C14 | C15 | H27 | 156.4° | 160.6° |
| C14 | C13 | C12 | H30 | 60.2° | 172.4° |
| C14 | C13 | C12 | H31 | 179.9° | 51.5° |
| C14 | C13 | C18 | H36 | 180.0° | 57.8° |
| C14 | C13 | C18 | H37 | 60.0° | 62.1° |
| C14 | C13 | C18 | H38 | 60.0° | 177.8° |
| C35 | C36 | C31 | H11 | 120.0° | 120.0° |
| C35 | C36 | C31 | H12 | 119.9° | 120.0° |
| C36 | C35 | C37 | C38 | 119.8° | 120.1° |
| C36 | C35 | C37 | H15 | 119.9° | 120.0° |
| C36 | C35 | C38 | H15 | 120.3° | 120.0° |
| C36 | C35 | C37 | C29 | 60.8° | 60.0° |
| C35 | C36 | C31 | C30 | 59.7° | 60.0° |
| C35 | C36 | C31 | C32 | 60.1° | 60.0° |
| C36 | C35 | C38 | C33 | 59.5° | 60.0° |
| C35 | C36 | C31 | H3 | 179.8° | 180.0° |
| C36 | C35 | C37 | H9 | 59.4° | 180.0° |
| C36 | C35 | C37 | H10 | 179.0° | 60.0° |
| C35 | C36 | H11 | H12 | 120.1° | 120.0° |
| C36 | C35 | C38 | H13 | 179.5° | 59.9° |
| C36 | C35 | C38 | H14 | 60.6° | 180.0° |
| C31 | C36 | C35 | C37 | 60.0° | 60.0° |
| C31 | C36 | C35 | C38 | 59.7° | 60.1° |
| C36 | C31 | C30 | C32 | 120.6° | 120.0° |
| C36 | C31 | C30 | H3 | 120.0° | 120.0° |
| C36 | C31 | C32 | H3 | 120.0° | 119.9° |
| C36 | C31 | C30 | C29 | 59.2° | 60.0° |
| C36 | C31 | C32 | C33 | 59.8° | 60.0° |
| C36 | C31 | C30 | H1 | 179.3° | 60.0° |
| C36 | C31 | C30 | H2 | 61.0° | 179.9° |
| C36 | C31 | C32 | H4 | 60.3° | 60.0° |
| C36 | C31 | C32 | H5 | 179.9° | 180.0° |
| C31 | C36 | H11 | H12 | 120.2° | 120.0° |
| C31 | C36 | C35 | H15 | 180.0° | 180.0° |
| C37 | C35 | C38 | H15 | 120.4° | 120.0° |
| C35 | C37 | C29 | H9 | 120.2° | 120.0° |
| C35 | C37 | C29 | H10 | 120.2° | 120.0° |
| C35 | C37 | C29 | C30 | 59.5° | 60.0° |
| C37 | C35 | C38 | C33 | 59.8° | 60.0° |
| C35 | C37 | C29 | C25 | 174.8° | 180.0° |
| C35 | C37 | C29 | C34 | 58.2° | 60.0° |
| C35 | C37 | H9 | H10 | 119.3° | 120.0° |
| C37 | C35 | C36 | H11 | 179.9° | 60.0° |
| C37 | C35 | C36 | H12 | 60.0° | 180.0° |
| C37 | C35 | C38 | H13 | 60.2° | 180.0° |
| C37 | C35 | C38 | H14 | 179.8° | 59.9° |
| C38 | C35 | C37 | C29 | 59.1° | 60.0° |
| C35 | C38 | C33 | H13 | 120.0° | 120.0° |
| C35 | C38 | C33 | H14 | 120.1° | 120.0° |
| C35 | C38 | C33 | C32 | 58.5° | 60.0° |
| C35 | C38 | C33 | C34 | 61.2° | 60.0° |
| C35 | C38 | C33 | H6 | 178.5° | 180.0° |
| C38 | C35 | C37 | H9 | 179.3° | 59.9° |
| C38 | C35 | C37 | H10 | 61.2° | 180.0° |
| C38 | C35 | C36 | H11 | 60.2° | 179.9° |
| C38 | C35 | C36 | H12 | 179.7° | 60.0° |
| C35 | C38 | H13 | H14 | 119.9° | 120.1° |
| C11 | C12 | C13 | H30 | 120.2° | 119.6° |
| C11 | C12 | C13 | H31 | 120.1° | 119.5° |
| C11 | C12 | C13 | C17 | 166.7° | 175.6° |
| C11 | C12 | H30 | H31 | 119.5° | 120.9° |
| C12 | C11 | H32 | H33 | 119.8° | 118.9° |
| C12 | C11 | C09 | H34 | 61.7° | 168.9° |
| C12 | C11 | C09 | H35 | 178.1° | 71.7° |
| C16 | C17 | C13 | C12 | 157.3° | 148.9° |
| C16 | C17 | C13 | C20 | 126.6° | 119.0° |
| C16 | C17 | C13 | H24 | 112.5° | 118.9° |
| C16 | C17 | C20 | H24 | 118.2° | 122.1° |
| C16 | C17 | C20 | C22 | 56.7° | 62.8° |
| C16 | C17 | C20 | C21 | 176.6° | 177.2° |
| C16 | C17 | C20 | H20 | 61.5° | 57.2° |
| C17 | C16 | C15 | H26 | 110.2° | 94.0° |
| C17 | C16 | C15 | H27 | 127.5° | 142.6° |
| C17 | C16 | H28 | H29 | 120.9° | 121.6° |
| C12 | C13 | C17 | C20 | 76.1° | 92.2° |
| C12 | C13 | C17 | H24 | 44.8° | 29.9° |
| C12 | C13 | C14 | H25 | 53.8° | 53.9° |
| C13 | C12 | H30 | H31 | 119.5° | 120.9° |
| C13 | C12 | C11 | H32 | 176.9° | 61.6° |
| C13 | C12 | C11 | H33 | 63.2° | 179.6° |
| C12 | C13 | C18 | H36 | 57.9° | 59.3° |
| C12 | C13 | C18 | H37 | 62.1° | 179.3° |
| C12 | C13 | C18 | H38 | 177.9° | 60.6° |
| C13 | C17 | C20 | H24 | 121.0° | 122.1° |
| C13 | C17 | C20 | C22 | 177.4° | 178.6° |
| C13 | C17 | C20 | C21 | 62.6° | 61.4° |
| C13 | C17 | C20 | H20 | 59.3° | 58.6° |
| C17 | C13 | C14 | H25 | 65.6° | 72.0° |
| C13 | C17 | C16 | H28 | 96.2° | 123.1° |
| C13 | C17 | C16 | H29 | 143.2° | 115.2° |
| C17 | C13 | C12 | H30 | 46.6° | 56.0° |
| C17 | C13 | C12 | H31 | 73.1° | 64.9° |
| C17 | C13 | C18 | H36 | 70.5° | 169.8° |
| C17 | C13 | C18 | H37 | 169.5° | 49.8° |
| C17 | C13 | C18 | H38 | 49.5° | 70.3° |
| C37 | C29 | C30 | C31 | 57.9° | 60.0° |
| C37 | C29 | C30 | C25 | 119.7° | 120.0° |
| C37 | C29 | C30 | C34 | 118.2° | 120.1° |
| C37 | C29 | C25 | C34 | 124.3° | 120.0° |
| C37 | C29 | C25 | C24 | 62.5° | 60.0° |
| C37 | C29 | C25 | O03 | 178.2° | 60.0° |
| C37 | C29 | C34 | C33 | 58.3° | 60.0° |
| C37 | C29 | C30 | H1 | 178.0° | 60.0° |
| C37 | C29 | C30 | H2 | 62.3° | 180.0° |
| C37 | C29 | C34 | H7 | 178.3° | 180.0° |
| C37 | C29 | C34 | H8 | 61.6° | 60.0° |
| C29 | C37 | H9 | H10 | 119.3° | 120.0° |
| C29 | C37 | C35 | H15 | 179.3° | 180.0° |
| C37 | C29 | C25 | H16 | 57.5° | 180.0° |
| C17 | C20 | C22 | C21 | 124.6° | 120.0° |
| C17 | C20 | C22 | H20 | 117.8° | 120.0° |
| C17 | C20 | C21 | H20 | 121.8° | 120.0° |
| C17 | C20 | C22 | C23 | 154.7° | 175.0° |
| C17 | C20 | C22 | H18 | 35.3° | 65.0° |
| C17 | C20 | C22 | H19 | 85.9° | 55.0° |
| C17 | C20 | C21 | H21 | 180.0° | 60.0° |
| C17 | C20 | C21 | H22 | 60.0° | 60.0° |
| C17 | C20 | C21 | H23 | 60.0° | 180.0° |
| C20 | C17 | C16 | H28 | 32.9° | 117.9° |
| C20 | C17 | C16 | H29 | 87.7° | 3.8° |
| C30 | C31 | C32 | H3 | 119.2° | 120.0° |
| C31 | C30 | C29 | H1 | 120.1° | 120.0° |
| C31 | C30 | C29 | H2 | 120.2° | 120.0° |
| C31 | C30 | C29 | C25 | 177.6° | 180.0° |
| C31 | C30 | C29 | C34 | 60.3° | 60.0° |
| C30 | C31 | C32 | C33 | 60.9° | 60.0° |
| C31 | C30 | H1 | H2 | 119.6° | 119.9° |
| C30 | C31 | C32 | H4 | 179.0° | 180.0° |
| C30 | C31 | C32 | H5 | 59.2° | 60.0° |
| C30 | C31 | C36 | H11 | 179.7° | 60.0° |
| C30 | C31 | C36 | H12 | 60.2° | 180.0° |
| C32 | C31 | C30 | C29 | 61.4° | 60.0° |
| C31 | C32 | C33 | C38 | 58.9° | 60.0° |
| C31 | C32 | C33 | H4 | 120.1° | 120.0° |
| C31 | C32 | C33 | H5 | 120.1° | 120.0° |
| C31 | C32 | C33 | C34 | 61.2° | 60.0° |
| C32 | C31 | C30 | H1 | 58.7° | 180.0° |
| C32 | C31 | C30 | H2 | 178.4° | 60.0° |
| C31 | C32 | H4 | H5 | 119.7° | 120.0° |
| C31 | C32 | C33 | H6 | 178.9° | 180.0° |
| C32 | C31 | C36 | H11 | 59.9° | 180.0° |
| C32 | C31 | C36 | H12 | 180.0° | 60.0° |
| C30 | C29 | C25 | C34 | 118.2° | 120.0° |
| C30 | C29 | C25 | C24 | 180.0° | 60.1° |
| C30 | C29 | C25 | O03 | 60.7° | 180.0° |
| C30 | C29 | C34 | C33 | 59.6° | 60.0° |
| C29 | C30 | H1 | H2 | 119.6° | 120.1° |
| C29 | C30 | C31 | H3 | 179.2° | 179.9° |
| C30 | C29 | C34 | H7 | 60.4° | 59.9° |
| C30 | C29 | C34 | H8 | 179.5° | 179.9° |
| C30 | C29 | C37 | H9 | 60.7° | 180.0° |
| C30 | C29 | C37 | H10 | 179.7° | 60.0° |
| C30 | C29 | C25 | H16 | 60.0° | 60.0° |
| C38 | C33 | C34 | C29 | 60.1° | 60.0° |
| C38 | C33 | C32 | C34 | 120.0° | 120.0° |
| C38 | C33 | C32 | H6 | 120.0° | 120.0° |
| C38 | C33 | C34 | H6 | 120.3° | 119.9° |
| C38 | C33 | C32 | H4 | 61.3° | 60.0° |
| C38 | C33 | C32 | H5 | 179.0° | 180.0° |
| C38 | C33 | C34 | H7 | 179.9° | 180.0° |
| C38 | C33 | C34 | H8 | 59.8° | 60.0° |
| C33 | C38 | H13 | H14 | 119.9° | 120.0° |
| C33 | C38 | C35 | H15 | 179.8° | 180.0° |
| C22 | C20 | C21 | H20 | 117.8° | 120.0° |
| C20 | C22 | C23 | C24 | 21.2° | 120.3° |
| C20 | C22 | C23 | H18 | 119.4° | 120.0° |
| C20 | C22 | C23 | H19 | 119.4° | 120.0° |
| C20 | C22 | H18 | H19 | 121.7° | 120.0° |
| C22 | C20 | C21 | H21 | 59.6° | 60.0° |
| C22 | C20 | C21 | H22 | 60.4° | 180.0° |
| C22 | C20 | C21 | H23 | 179.6° | 60.0° |
| C22 | C20 | C17 | H24 | 61.5° | 59.3° |
| C21 | C20 | C22 | C23 | 80.7° | 65.0° |
| C21 | C20 | C22 | H18 | 159.9° | 55.0° |
| C21 | C20 | C22 | H19 | 38.8° | 175.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H23 | 120.0° | 120.0° |
| C20 | C21 | H22 | H23 | 120.0° | 120.0° |
| C21 | C20 | C17 | H24 | 58.4° | 60.7° |
| C29 | C25 | C24 | O03 | 121.2° | 120.0° |
| C29 | C25 | C24 | H16 | 119.2° | 120.1° |
| C29 | C25 | O03 | H16 | 119.7° | 120.0° |
| C29 | C25 | C24 | C23 | 9.9° | 67.4° |
| C25 | C29 | C34 | C33 | 175.9° | 180.0° |
| C25 | C29 | C30 | H1 | 62.3° | 60.0° |
| C25 | C29 | C30 | H2 | 57.4° | 60.0° |
| C25 | C29 | C34 | H7 | 55.9° | 60.0° |
| C25 | C29 | C34 | H8 | 64.2° | 60.0° |
| C25 | C29 | C37 | H9 | 54.5° | 60.0° |
| C25 | C29 | C37 | H10 | 65.0° | 60.0° |
| C29 | C25 | O03 | H17 | 180.0° | 60.0° |
| C34 | C29 | C25 | C24 | 61.8° | 180.0° |
| C34 | C29 | C25 | O03 | 57.5° | 60.0° |
| C29 | C34 | C33 | C32 | 59.7° | 60.0° |
| C29 | C34 | C33 | H7 | 120.0° | 120.0° |
| C29 | C34 | C33 | H8 | 120.0° | 120.0° |
| C34 | C29 | C30 | H1 | 59.8° | 180.0° |
| C34 | C29 | C30 | H2 | 179.5° | 60.0° |
| C29 | C34 | C33 | H6 | 179.6° | 180.0° |
| C29 | C34 | H7 | H8 | 120.2° | 120.0° |
| C34 | C29 | C37 | H9 | 178.4° | 60.0° |
| C34 | C29 | C37 | H10 | 62.0° | 180.0° |
| C34 | C29 | C25 | H16 | 178.2° | 60.0° |
| C24 | C25 | O03 | H16 | 119.4° | 120.0° |
| C25 | C24 | C23 | C22 | 1.6° | 7.1° |
| C24 | C25 | O03 | H17 | 59.2° | 60.0° |
| O03 | C25 | C24 | C23 | 131.1° | 172.7° |
| C23 | C24 | C25 | H16 | 109.3° | 52.7° |
| C24 | C23 | C22 | H18 | 140.6° | 119.7° |
| C24 | C23 | C22 | H19 | 98.3° | 0.3° |
| C23 | C22 | H18 | H19 | 121.6° | 120.0° |
| C23 | C22 | C20 | H20 | 36.9° | 55.0° |
| C32 | C33 | C34 | H6 | 119.8° | 120.0° |
| C33 | C32 | C31 | H3 | 179.8° | 180.0° |
| C33 | C32 | H4 | H5 | 119.7° | 120.0° |
| C32 | C33 | C34 | H7 | 60.3° | 60.0° |
| C32 | C33 | C34 | H8 | 179.7° | 179.9° |
| C32 | C33 | C38 | H13 | 178.5° | 59.9° |
| C32 | C33 | C38 | H14 | 61.6° | 180.0° |
| C34 | C33 | C32 | H4 | 178.7° | 180.0° |
| C34 | C33 | C32 | H5 | 58.9° | 60.0° |
| C33 | C34 | H7 | H8 | 120.1° | 120.0° |
| C34 | C33 | C38 | H13 | 58.9° | 180.0° |
| C34 | C33 | C38 | H14 | 178.8° | 60.0° |
| H1 | C30 | C31 | H3 | 60.6° | 59.9° |
| H2 | C30 | C31 | H3 | 59.1° | 60.0° |
| H3 | C31 | C32 | H4 | 59.7° | 60.0° |
| H3 | C31 | C32 | H5 | 60.1° | 60.0° |
| H3 | C31 | C36 | H11 | 60.3° | 60.0° |
| H3 | C31 | C36 | H12 | 59.8° | 60.0° |
| H4 | C32 | C33 | H6 | 58.8° | 60.0° |
| H5 | C32 | C33 | H6 | 61.0° | 60.0° |
| H6 | C33 | C34 | H7 | 59.6° | 60.0° |
| H6 | C33 | C34 | H8 | 60.5° | 59.9° |
| H6 | C33 | C38 | H13 | 61.5° | 60.1° |
| H6 | C33 | C38 | H14 | 58.4° | 60.0° |
| H9 | C37 | C35 | H15 | 60.5° | 60.0° |
| H10 | C37 | C35 | H15 | 59.1° | 60.0° |
| H11 | C36 | C35 | H15 | 60.0° | 60.0° |
| H12 | C36 | C35 | H15 | 60.1° | 60.0° |
| H13 | C38 | C35 | H15 | 60.2° | 60.0° |
| H14 | C38 | C35 | H15 | 59.7° | 60.0° |
| H16 | C25 | O03 | H17 | 60.3° | 180.0° |
| H18 | C22 | C20 | H20 | 82.6° | 175.0° |
| H19 | C22 | C20 | H20 | 156.3° | 65.0° |
| H20 | C20 | C21 | H21 | 58.2° | 180.0° |
| H20 | C20 | C21 | H22 | 178.2° | 60.0° |
| H20 | C20 | C21 | H23 | 61.8° | 60.0° |
| H20 | C20 | C17 | H24 | 179.7° | 179.3° |
| H21 | C21 | H22 | H23 | 120.0° | 120.1° |
| H24 | C17 | C16 | H28 | 151.1° | 4.1° |
| H24 | C17 | C16 | H29 | 30.5° | 125.8° |
| H25 | C14 | C15 | H26 | 162.0° | 166.3° |
| H25 | C14 | C15 | H27 | 39.8° | 42.9° |
| H26 | C15 | C16 | H28 | 9.5° | 146.7° |
| H26 | C15 | C16 | H29 | 130.1° | 25.0° |
| H27 | C15 | C16 | H28 | 112.8° | 23.3° |
| H27 | C15 | C16 | H29 | 7.8° | 98.4° |
| H30 | C12 | C11 | H32 | 56.8° | 58.0° |
| H30 | C12 | C11 | H33 | 176.6° | 60.8° |
| H31 | C12 | C11 | H32 | 63.0° | 178.9° |
| H31 | C12 | C11 | H33 | 56.9° | 60.1° |
| H32 | C11 | C09 | H34 | 58.4° | 48.3° |
| H32 | C11 | C09 | H35 | 61.8° | 167.7° |
| H33 | C11 | C09 | H34 | 178.3° | 70.5° |
| H33 | C11 | C09 | H35 | 58.0° | 48.9° |
| H36 | C18 | H37 | H38 | 120.0° | 119.9° |
| H39 | C07 | C06 | H40 | 144.7° | 174.8° |
| H41 | C04 | C03 | H43 | 69.6° | 49.6° |
| H42 | C04 | C03 | H43 | 49.3° | 70.8° |
| H43 | C03 | O02 | H50 | 61.5° | 59.6° |
| H44 | C01 | C10 | H45 | 167.5° | 49.5° |
| H44 | C01 | C10 | H46 | 49.6° | 170.0° |
| H44 | C01 | O01 | H49 | 59.9° | 60.5° |
