KJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C17 | sing | 1.50Å | 1.25Å | |
| C10 | C18 | sing | 1.53Å | 1.65Å | |
| C10 | C20 | sing | 1.53Å | 1.56Å | |
| C13 | C08 | sing | 1.55Å | 1.65Å | |
| C14 | C06 | sing | 1.53Å | 1.26Å | |
| C14 | O01 | sing | 1.43Å | 1.49Å | |
| C15 | C08 | sing | 1.53Å | 1.38Å | |
| C15 | C23 | sing | 1.53Å | 1.62Å | |
| C15 | C25 | sing | 1.53Å | 1.58Å | |
| C16 | C04 | sing | 1.53Å | 1.55Å | |
| C17 | C19 | doub | 1.30Å | 1.35Å | |
| C17 | C21 | sing | 1.52Å | 1.61Å | |
| C18 | C22 | sing | 1.53Å | 1.49Å | |
| C12 | C07 | sing | 1.53Å | 1.60Å | |
| C12 | C09 | sing | 1.54Å | 1.28Å | |
| C04 | C05 | sing | 1.55Å | 1.68Å | |
| C04 | C09 | sing | 1.52Å | 1.19Å | |
| C05 | C06 | sing | 1.52Å | 1.13Å | |
| C06 | C07 | sing | 1.53Å | 1.30Å | |
| C21 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | C24 | sing | 1.53Å | 1.28Å | |
| C23 | C26 | sing | 1.53Å | 1.59Å | |
| C24 | O02 | sing | 1.43Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.55Å | |
| C28 | O03 | sing | 1.43Å | 1.41Å | |
| C08 | C04 | sing | 1.53Å | 1.71Å | |
| C14 | C19 | sing | 1.50Å | 1.70Å | |
| C05 | C11 | sing | 1.53Å | 1.71Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| O01 | H50 | sing | 0.97Å | 0.95Å | |
| O02 | H51 | sing | 0.97Å | 0.95Å | |
| O03 | H52 | sing | 0.97Å | 0.95Å | |
| C10 | C07 | sing | 1.52Å | 1.75Å | |
| C13 | C11 | sing | 1.55Å | 1.79Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C10 | C18 | 112.9° | 109.4° |
| C17 | C10 | C20 | 108.6° | 108.2° |
| C10 | C17 | C19 | 119.0° | 123.9° |
| C10 | C17 | C21 | 112.3° | 117.9° |
| C17 | C10 | C07 | 112.9° | 113.3° |
| C18 | C10 | C20 | 107.4° | 108.1° |
| C10 | C18 | C22 | 113.0° | 109.3° |
| C10 | C18 | H11 | 108.6° | 109.5° |
| C10 | C18 | H12 | 108.6° | 109.4° |
| C18 | C10 | C07 | 108.2° | 110.0° |
| C10 | C20 | H27 | 109.5° | 109.4° |
| C10 | C20 | H28 | 109.5° | 109.5° |
| C10 | C20 | H29 | 109.5° | 109.5° |
| C20 | C10 | C07 | 106.4° | 107.6° |
| C13 | C08 | C15 | 108.3° | 110.3° |
| C13 | C08 | C04 | 102.1° | 105.3° |
| C08 | C13 | H2 | 110.3° | 110.0° |
| C08 | C13 | H3 | 110.3° | 110.1° |
| C13 | C08 | H22 | 108.3° | 110.3° |
| C08 | C13 | C11 | 106.1° | 106.4° |
| C06 | C14 | O01 | 108.7° | 109.5° |
| C14 | C06 | C05 | 112.2° | 109.5° |
| C14 | C06 | C07 | 112.6° | 108.2° |
| C06 | C14 | C19 | 111.5° | 109.2° |
| C06 | C14 | H5 | 112.5° | 109.5° |
| C14 | C06 | H19 | 105.1° | 110.3° |
| O01 | C14 | C19 | 108.7° | 109.6° |
| O01 | C14 | H5 | 108.8° | 109.5° |
| C14 | O01 | H50 | 109.5° | 114.0° |
| C08 | C15 | C23 | 109.7° | 109.5° |
| C08 | C15 | C25 | 114.4° | 109.5° |
| C15 | C08 | C04 | 117.5° | 110.3° |
| C08 | C15 | H6 | 111.4° | 109.4° |
| C15 | C08 | H22 | 112.2° | 110.2° |
| C23 | C15 | C25 | 104.4° | 109.5° |
| C15 | C23 | C26 | 109.6° | 109.5° |
| C23 | C15 | H6 | 108.0° | 109.4° |
| C15 | C23 | H34 | 109.4° | 109.5° |
| C15 | C23 | H35 | 109.5° | 109.5° |
| C25 | C15 | H6 | 108.6° | 109.5° |
| C15 | C25 | H37 | 109.5° | 109.4° |
| C15 | C25 | H38 | 109.5° | 109.5° |
| C15 | C25 | H39 | 109.5° | 109.5° |
| C16 | C04 | C05 | 108.2° | 109.8° |
| C16 | C04 | C09 | 106.1° | 110.0° |
| C16 | C04 | C08 | 101.9° | 109.8° |
| C04 | C16 | H7 | 109.5° | 109.5° |
| C04 | C16 | H8 | 109.5° | 109.5° |
| C04 | C16 | H9 | 109.5° | 109.5° |
| C19 | C17 | C21 | 123.0° | 118.2° |
| C17 | C19 | C14 | 114.4° | 123.0° |
| C17 | C19 | H25 | 122.8° | 118.5° |
| C17 | C21 | C24 | 111.0° | 108.4° |
| C17 | C21 | H30 | 109.1° | 109.7° |
| C17 | C21 | H31 | 109.1° | 109.7° |
| C18 | C22 | C24 | 113.4° | 109.7° |
| C22 | C18 | H11 | 108.6° | 109.6° |
| C22 | C18 | H12 | 108.6° | 109.5° |
| C18 | C22 | H32 | 108.5° | 109.5° |
| C18 | C22 | H33 | 108.5° | 109.5° |
| C07 | C12 | C09 | 113.3° | 111.8° |
| C12 | C07 | C06 | 111.5° | 111.8° |
| C07 | C12 | H16 | 108.5° | 109.0° |
| C07 | C12 | H17 | 108.5° | 109.0° |
| C12 | C07 | H20 | 107.2° | 108.3° |
| C12 | C07 | C10 | 107.8° | 109.8° |
| C12 | C09 | C04 | 118.7° | 107.1° |
| C09 | C12 | H16 | 108.5° | 109.0° |
| C09 | C12 | H17 | 108.5° | 109.0° |
| C12 | C09 | H23 | 107.1° | 110.0° |
| C12 | C09 | H24 | 107.1° | 109.9° |
| C05 | C04 | C09 | 113.5° | 107.1° |
| C04 | C05 | C06 | 116.1° | 107.3° |
| C05 | C04 | C08 | 101.6° | 103.3° |
| C04 | C05 | C11 | 102.6° | 101.7° |
| C04 | C05 | H18 | 102.2° | 110.4° |
| C09 | C04 | C08 | 124.3° | 116.4° |
| C04 | C09 | H23 | 107.1° | 109.9° |
| C04 | C09 | H24 | 107.1° | 110.0° |
| C05 | C06 | C07 | 114.7° | 107.6° |
| C06 | C05 | C11 | 123.1° | 115.8° |
| C06 | C05 | H18 | 108.3° | 110.3° |
| C05 | C06 | H19 | 106.7° | 110.2° |
| C07 | C06 | H19 | 104.6° | 111.1° |
| C06 | C07 | H20 | 111.4° | 108.0° |
| C06 | C07 | C10 | 112.9° | 110.5° |
| C21 | C24 | C22 | 111.6° | 109.5° |
| C21 | C24 | O02 | 108.8° | 109.5° |
| C24 | C21 | H30 | 109.1° | 109.7° |
| C24 | C21 | H31 | 109.1° | 109.7° |
| C21 | C24 | H36 | 107.6° | 109.4° |
| C22 | C24 | O02 | 108.8° | 109.5° |
| C24 | C22 | H32 | 108.5° | 109.4° |
| C24 | C22 | H33 | 108.5° | 109.4° |
| C22 | C24 | H36 | 111.8° | 109.4° |
| C23 | C26 | C27 | 111.6° | 109.4° |
| C26 | C23 | H34 | 109.5° | 109.5° |
| C26 | C23 | H35 | 109.4° | 109.4° |
| C23 | C26 | H40 | 108.9° | 109.5° |
| C23 | C26 | H41 | 108.9° | 109.4° |
| O02 | C24 | H36 | 108.1° | 109.5° |
| C24 | O02 | H51 | 109.5° | 114.0° |
| C26 | C27 | C28 | 108.7° | 109.4° |
| C27 | C26 | H40 | 108.9° | 109.5° |
| C27 | C26 | H41 | 108.9° | 109.5° |
| C26 | C27 | H42 | 109.7° | 109.4° |
| C26 | C27 | H43 | 109.7° | 109.5° |
| C27 | C28 | C29 | 109.1° | 109.5° |
| C27 | C28 | C30 | 110.1° | 109.5° |
| C27 | C28 | O03 | 109.4° | 109.5° |
| C28 | C27 | H42 | 109.7° | 109.5° |
| C28 | C27 | H43 | 109.7° | 109.5° |
| C29 | C28 | C30 | 109.2° | 109.5° |
| C29 | C28 | O03 | 109.2° | 109.4° |
| C28 | C29 | H44 | 109.5° | 109.4° |
| C28 | C29 | H45 | 109.5° | 109.5° |
| C28 | C29 | H46 | 109.5° | 109.5° |
| C30 | C28 | O03 | 109.8° | 109.5° |
| C28 | C30 | H47 | 109.5° | 109.5° |
| C28 | C30 | H48 | 109.5° | 109.4° |
| C28 | C30 | H49 | 109.5° | 109.4° |
| C28 | O03 | H52 | 109.5° | 114.0° |
| C04 | C08 | H22 | 107.7° | 110.3° |
| C19 | C14 | H5 | 106.5° | 109.5° |
| C14 | C19 | H25 | 122.8° | 118.5° |
| C05 | C11 | H13 | 111.1° | 110.7° |
| C05 | C11 | H14 | 111.1° | 110.9° |
| C11 | C05 | H18 | 101.9° | 110.9° |
| C05 | C11 | C13 | 102.7° | 102.9° |
| H2 | C13 | H3 | 109.4° | 110.1° |
| H2 | C13 | C11 | 110.3° | 110.1° |
| H3 | C13 | C11 | 110.3° | 110.1° |
| H7 | C16 | H8 | 109.4° | 109.5° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 110.6° |
| H13 | C11 | C13 | 111.1° | 110.7° |
| H14 | C11 | C13 | 111.1° | 110.8° |
| H16 | C12 | H17 | 109.5° | 108.9° |
| H20 | C07 | C10 | 105.7° | 108.4° |
| H23 | C09 | H24 | 109.5° | 110.0° |
| H27 | C20 | H28 | 109.5° | 109.4° |
| H27 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.4° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.7° |
| H32 | C22 | H33 | 109.5° | 109.3° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.4° | 109.5° |
| H37 | C25 | H39 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| H44 | C29 | H46 | 109.5° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H47 | C30 | H48 | 109.5° | 109.5° |
| H47 | C30 | H49 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C10 | C18 | C20 | 119.8° | 117.6° |
| C17 | C10 | C18 | C07 | 125.7° | 125.1° |
| C17 | C10 | C20 | C07 | 121.8° | 122.8° |
| C10 | C17 | C19 | C21 | 151.2° | 179.9° |
| C17 | C10 | C18 | C22 | 48.0° | 54.2° |
| C17 | C10 | C07 | C12 | 167.1° | 160.6° |
| C17 | C10 | C07 | C06 | 43.4° | 36.8° |
| C10 | C17 | C21 | C24 | 53.0° | 51.4° |
| C10 | C17 | C19 | C14 | 36.5° | 0.4° |
| C17 | C10 | C18 | H11 | 168.5° | 174.2° |
| C17 | C10 | C18 | H12 | 72.5° | 65.7° |
| C17 | C10 | C07 | H20 | 78.6° | 81.3° |
| C10 | C17 | C19 | H25 | 143.6° | 179.6° |
| C17 | C10 | C20 | H27 | 180.0° | 67.6° |
| C17 | C10 | C20 | H28 | 60.0° | 172.5° |
| C17 | C10 | C20 | H29 | 60.0° | 52.5° |
| C10 | C17 | C21 | H30 | 173.2° | 171.2° |
| C10 | C17 | C21 | H31 | 67.3° | 68.3° |
| C18 | C10 | C20 | C07 | 115.8° | 118.8° |
| C18 | C10 | C17 | C19 | 157.6° | 128.8° |
| C18 | C10 | C17 | C21 | 48.3° | 51.1° |
| C10 | C18 | C22 | H11 | 120.5° | 120.0° |
| C10 | C18 | C22 | H12 | 120.5° | 119.9° |
| C18 | C10 | C07 | C12 | 67.2° | 76.5° |
| C18 | C10 | C07 | C06 | 169.2° | 159.7° |
| C10 | C18 | C22 | C24 | 50.9° | 62.8° |
| C10 | C18 | H11 | H12 | 118.4° | 120.0° |
| C18 | C10 | C07 | H20 | 47.2° | 41.6° |
| C18 | C10 | C20 | H27 | 57.5° | 174.0° |
| C18 | C10 | C20 | H28 | 62.5° | 54.1° |
| C18 | C10 | C20 | H29 | 177.6° | 65.9° |
| C10 | C18 | C22 | H32 | 69.7° | 57.3° |
| C10 | C18 | C22 | H33 | 171.5° | 177.1° |
| C20 | C10 | C17 | C19 | 83.4° | 113.6° |
| C20 | C10 | C17 | C21 | 70.7° | 66.4° |
| C20 | C10 | C18 | C22 | 71.7° | 63.4° |
| C20 | C10 | C07 | C12 | 48.0° | 41.0° |
| C20 | C10 | C07 | C06 | 75.6° | 82.8° |
| C20 | C10 | C18 | H11 | 48.8° | 56.7° |
| C20 | C10 | C18 | H12 | 167.8° | 176.7° |
| C20 | C10 | C07 | H20 | 162.4° | 159.1° |
| C10 | C20 | H27 | H28 | 120.0° | 119.9° |
| C10 | C20 | H27 | H29 | 120.0° | 120.0° |
| C10 | C20 | H28 | H29 | 120.0° | 120.0° |
| C13 | C08 | C15 | C04 | 114.9° | 115.9° |
| C13 | C08 | C15 | H22 | 119.5° | 122.0° |
| C13 | C08 | C15 | C23 | 50.2° | 61.4° |
| C13 | C08 | C15 | C25 | 167.0° | 178.5° |
| C13 | C08 | C04 | C16 | 63.6° | 87.9° |
| C13 | C08 | C04 | C05 | 48.0° | 29.2° |
| C13 | C08 | C04 | C09 | 177.3° | 146.2° |
| C13 | C08 | C04 | H22 | 113.9° | 119.0° |
| C08 | C13 | C11 | C05 | 0.7° | 24.0° |
| C08 | C13 | H2 | H3 | 121.6° | 121.5° |
| C08 | C13 | H2 | C11 | 116.9° | 116.9° |
| C08 | C13 | H3 | C11 | 116.9° | 117.0° |
| C13 | C08 | C15 | H6 | 69.4° | 58.5° |
| C08 | C13 | C11 | H13 | 119.6° | 142.3° |
| C08 | C13 | C11 | H14 | 118.2° | 94.6° |
| C06 | C14 | O01 | C19 | 121.6° | 119.8° |
| C06 | C14 | O01 | H5 | 122.9° | 120.1° |
| C06 | C14 | C19 | C17 | 46.3° | 26.4° |
| C14 | C06 | C07 | C12 | 178.0° | 174.6° |
| C14 | C06 | C05 | C04 | 178.5° | 178.8° |
| C14 | C06 | C05 | C07 | 130.1° | 117.3° |
| C14 | C06 | C05 | H19 | 114.6° | 121.4° |
| C14 | C06 | C07 | H19 | 113.5° | 121.1° |
| C06 | C14 | C19 | H5 | 123.1° | 119.9° |
| C14 | C06 | C05 | C11 | 54.0° | 66.0° |
| C14 | C06 | C05 | H18 | 64.4° | 60.9° |
| C14 | C06 | C07 | H20 | 62.4° | 55.5° |
| C06 | C14 | C19 | H25 | 133.8° | 153.6° |
| C06 | C14 | O01 | H50 | 180.0° | 180.0° |
| C14 | C06 | C07 | C10 | 56.4° | 62.8° |
| O01 | C14 | C19 | C17 | 73.6° | 93.5° |
| O01 | C14 | C06 | C05 | 68.7° | 53.0° |
| O01 | C14 | C06 | C07 | 62.5° | 63.9° |
| O01 | C14 | C19 | H5 | 117.1° | 120.1° |
| O01 | C14 | C06 | H19 | 175.7° | 174.5° |
| O01 | C14 | C19 | H25 | 106.4° | 86.4° |
| C08 | C15 | C23 | C25 | 123.0° | 120.1° |
| C08 | C15 | C23 | H6 | 121.6° | 119.9° |
| C08 | C15 | C25 | H6 | 125.1° | 120.0° |
| C15 | C08 | C04 | C16 | 54.6° | 31.1° |
| C15 | C08 | C04 | C05 | 166.3° | 148.2° |
| C15 | C08 | C04 | C09 | 64.5° | 94.7° |
| C08 | C15 | C23 | C26 | 68.0° | 175.0° |
| C15 | C08 | C04 | H22 | 127.8° | 122.0° |
| C15 | C08 | C13 | H2 | 86.7° | 3.2° |
| C15 | C08 | C13 | H3 | 34.4° | 118.3° |
| C08 | C15 | C23 | H34 | 172.0° | 55.0° |
| C08 | C15 | C23 | H35 | 52.0° | 65.1° |
| C08 | C15 | C25 | H37 | 180.0° | 60.0° |
| C08 | C15 | C25 | H38 | 60.0° | 180.0° |
| C08 | C15 | C25 | H39 | 60.0° | 60.0° |
| C15 | C08 | C13 | C11 | 153.8° | 122.4° |
| C23 | C15 | C25 | H6 | 115.0° | 120.0° |
| C15 | C23 | C26 | H34 | 120.0° | 120.1° |
| C15 | C23 | C26 | H35 | 120.0° | 120.0° |
| C15 | C23 | C26 | C27 | 129.0° | 180.0° |
| C23 | C15 | C08 | C04 | 165.0° | 177.4° |
| C23 | C15 | C08 | H22 | 69.3° | 60.6° |
| C15 | C23 | H34 | H35 | 120.0° | 120.0° |
| C23 | C15 | C25 | H37 | 60.1° | 180.0° |
| C23 | C15 | C25 | H38 | 59.8° | 60.0° |
| C23 | C15 | C25 | H39 | 179.8° | 60.1° |
| C15 | C23 | C26 | H40 | 110.7° | 59.9° |
| C15 | C23 | C26 | H41 | 8.7° | 60.0° |
| C25 | C15 | C23 | C26 | 55.0° | 65.0° |
| C25 | C15 | C08 | C04 | 78.2° | 62.6° |
| C25 | C15 | C08 | H22 | 47.5° | 59.4° |
| C25 | C15 | C23 | H34 | 65.0° | 175.0° |
| C25 | C15 | C23 | H35 | 175.0° | 55.0° |
| C15 | C25 | H37 | H38 | 120.0° | 120.1° |
| C15 | C25 | H37 | H39 | 120.0° | 119.9° |
| C15 | C25 | H38 | H39 | 120.0° | 120.0° |
| C16 | C04 | C09 | C12 | 83.3° | 54.5° |
| C16 | C04 | C05 | C09 | 117.5° | 119.5° |
| C16 | C04 | C05 | C08 | 106.8° | 117.1° |
| C16 | C04 | C09 | C08 | 117.1° | 125.7° |
| C16 | C04 | C05 | C06 | 77.9° | 49.3° |
| C16 | C04 | C05 | C11 | 59.2° | 72.7° |
| C04 | C16 | H7 | H8 | 120.0° | 120.0° |
| C04 | C16 | H7 | H9 | 120.0° | 120.0° |
| C04 | C16 | H8 | H9 | 120.0° | 120.0° |
| C16 | C04 | C05 | H18 | 164.6° | 169.5° |
| C16 | C04 | C08 | H22 | 177.6° | 153.1° |
| C16 | C04 | C09 | H23 | 155.4° | 173.9° |
| C16 | C04 | C09 | H24 | 38.1° | 64.9° |
| C19 | C17 | C21 | C24 | 154.1° | 128.5° |
| C17 | C19 | C14 | H25 | 180.0° | 180.0° |
| C17 | C19 | C14 | H5 | 169.3° | 146.4° |
| C19 | C17 | C21 | H30 | 33.9° | 8.7° |
| C19 | C17 | C21 | H31 | 85.6° | 111.8° |
| C19 | C17 | C10 | C07 | 34.4° | 5.6° |
| C17 | C21 | C24 | H30 | 120.2° | 119.7° |
| C17 | C21 | C24 | H31 | 120.2° | 119.7° |
| C17 | C21 | C24 | C22 | 55.3° | 55.1° |
| C17 | C21 | C24 | O02 | 175.5° | 175.2° |
| C21 | C17 | C19 | C14 | 172.3° | 179.5° |
| C21 | C17 | C19 | H25 | 7.6° | 0.4° |
| C17 | C21 | H30 | H31 | 119.3° | 120.5° |
| C17 | C21 | C24 | H36 | 67.7° | 64.8° |
| C21 | C17 | C10 | C07 | 171.5° | 174.3° |
| C18 | C22 | C24 | C21 | 56.0° | 63.7° |
| C18 | C22 | C24 | H32 | 120.6° | 120.1° |
| C18 | C22 | C24 | H33 | 120.6° | 120.1° |
| C18 | C22 | C24 | O02 | 176.1° | 176.2° |
| C22 | C18 | H11 | H12 | 118.4° | 120.1° |
| C18 | C22 | H32 | H33 | 118.2° | 119.9° |
| C18 | C22 | C24 | H36 | 64.6° | 56.2° |
| C22 | C18 | C10 | C07 | 173.7° | 179.4° |
| C07 | C12 | C09 | H16 | 120.6° | 120.6° |
| C07 | C12 | C09 | H17 | 120.6° | 120.6° |
| C07 | C12 | C09 | C04 | 41.0° | 57.5° |
| C12 | C07 | C06 | C05 | 52.1° | 56.4° |
| C12 | C07 | C06 | H20 | 119.7° | 119.1° |
| C12 | C07 | C06 | C10 | 121.6° | 122.6° |
| C07 | C12 | H16 | H17 | 118.2° | 118.9° |
| C12 | C07 | C06 | H19 | 64.5° | 64.2° |
| C12 | C07 | H20 | C10 | 114.8° | 119.0° |
| C07 | C12 | C09 | H23 | 80.3° | 61.9° |
| C07 | C12 | C09 | H24 | 162.3° | 176.9° |
| C12 | C09 | C04 | C05 | 35.4° | 64.9° |
| C12 | C09 | C04 | H23 | 121.3° | 119.4° |
| C12 | C09 | C04 | H24 | 121.3° | 119.4° |
| C09 | C12 | C07 | C06 | 46.1° | 53.9° |
| C12 | C09 | C04 | C08 | 159.6° | 179.8° |
| C09 | C12 | H16 | H17 | 118.2° | 118.9° |
| C09 | C12 | C07 | H20 | 76.0° | 65.0° |
| C12 | C09 | H23 | H24 | 115.9° | 121.1° |
| C09 | C12 | C07 | C10 | 170.6° | 176.9° |
| C05 | C04 | C09 | C08 | 124.2° | 114.9° |
| C04 | C05 | C06 | C11 | 127.5° | 112.7° |
| C04 | C05 | C06 | H18 | 114.1° | 120.3° |
| C04 | C05 | C06 | C07 | 48.4° | 63.9° |
| C04 | C05 | C11 | H18 | 105.6° | 117.4° |
| C05 | C04 | C16 | H7 | 180.0° | 60.0° |
| C05 | C04 | C16 | H8 | 60.0° | 180.0° |
| C05 | C04 | C16 | H9 | 60.0° | 60.0° |
| C04 | C05 | C11 | H13 | 90.2° | 159.9° |
| C04 | C05 | C11 | H14 | 147.6° | 76.9° |
| C04 | C05 | C06 | H19 | 66.9° | 57.3° |
| C05 | C04 | C08 | H22 | 65.9° | 89.8° |
| C05 | C04 | C09 | H23 | 85.9° | 54.5° |
| C05 | C04 | C09 | H24 | 156.8° | 175.7° |
| C04 | C05 | C11 | C13 | 28.7° | 41.6° |
| C09 | C04 | C05 | C06 | 39.5° | 70.2° |
| C09 | C04 | C05 | C11 | 176.6° | 167.8° |
| C09 | C04 | C16 | H7 | 57.8° | 177.6° |
| C09 | C04 | C16 | H8 | 62.1° | 62.3° |
| C09 | C04 | C16 | H9 | 177.9° | 57.7° |
| C04 | C09 | C12 | H16 | 161.5° | 178.0° |
| C04 | C09 | C12 | H17 | 79.6° | 63.2° |
| C09 | C04 | C05 | H18 | 78.0° | 50.0° |
| C09 | C04 | C08 | H22 | 63.4° | 27.2° |
| C04 | C09 | H23 | H24 | 115.8° | 121.2° |
| C05 | C06 | C07 | H19 | 116.6° | 120.7° |
| C06 | C05 | C04 | C08 | 175.3° | 166.3° |
| C05 | C06 | C14 | C19 | 171.5° | 173.0° |
| C06 | C05 | C11 | H18 | 121.3° | 126.7° |
| C05 | C06 | C14 | H5 | 51.9° | 67.0° |
| C06 | C05 | C11 | H13 | 42.9° | 84.1° |
| C06 | C05 | C11 | H14 | 79.3° | 39.0° |
| C05 | C06 | C07 | H20 | 67.6° | 62.7° |
| C05 | C06 | C07 | C10 | 173.7° | 179.0° |
| C06 | C05 | C11 | C13 | 161.8° | 157.5° |
| C07 | C06 | C14 | C19 | 57.3° | 56.1° |
| C07 | C06 | C05 | C11 | 175.9° | 176.6° |
| C07 | C06 | C14 | H5 | 176.8° | 176.0° |
| C06 | C07 | C12 | H16 | 166.7° | 174.4° |
| C06 | C07 | C12 | H17 | 74.5° | 66.7° |
| C07 | C06 | C05 | H18 | 65.7° | 56.4° |
| C06 | C07 | H20 | C10 | 123.0° | 119.7° |
| C21 | C24 | C22 | O02 | 120.1° | 120.0° |
| C21 | C24 | C22 | H36 | 120.6° | 119.9° |
| C21 | C24 | O02 | H36 | 116.6° | 120.0° |
| C24 | C21 | H30 | H31 | 119.3° | 120.5° |
| C21 | C24 | C22 | H32 | 64.6° | 56.4° |
| C21 | C24 | C22 | H33 | 176.5° | 176.1° |
| C21 | C24 | O02 | H51 | 180.0° | 180.0° |
| C22 | C24 | O02 | H36 | 121.6° | 120.0° |
| C24 | C22 | C18 | H11 | 171.5° | 177.2° |
| C24 | C22 | C18 | H12 | 69.6° | 57.1° |
| C22 | C24 | C21 | H30 | 175.5° | 174.9° |
| C22 | C24 | C21 | H31 | 64.9° | 64.6° |
| C24 | C22 | H32 | H33 | 118.2° | 119.8° |
| C22 | C24 | O02 | H51 | 58.2° | 60.0° |
| C23 | C26 | C27 | H40 | 120.3° | 120.0° |
| C23 | C26 | C27 | H41 | 120.3° | 120.0° |
| C23 | C26 | C27 | C28 | 166.7° | 180.0° |
| C26 | C23 | C15 | H6 | 170.4° | 55.0° |
| C26 | C23 | H34 | H35 | 119.9° | 120.0° |
| C23 | C26 | H40 | H41 | 119.0° | 120.0° |
| C23 | C26 | C27 | H42 | 46.8° | 60.0° |
| C23 | C26 | C27 | H43 | 73.4° | 60.0° |
| O02 | C24 | C21 | H30 | 64.3° | 65.1° |
| O02 | C24 | C21 | H31 | 55.2° | 55.5° |
| O02 | C24 | C22 | H32 | 55.5° | 63.6° |
| O02 | C24 | C22 | H33 | 63.4° | 56.1° |
| C26 | C27 | C28 | H42 | 119.9° | 120.0° |
| C26 | C27 | C28 | H43 | 119.9° | 120.0° |
| C26 | C27 | C28 | C29 | 62.4° | 175.0° |
| C26 | C27 | C28 | C30 | 177.9° | 55.0° |
| C26 | C27 | C28 | O03 | 57.0° | 65.0° |
| C27 | C26 | C23 | H34 | 9.0° | 60.0° |
| C27 | C26 | C23 | H35 | 111.0° | 60.0° |
| C27 | C26 | H40 | H41 | 119.0° | 120.0° |
| C26 | C27 | H42 | H43 | 120.3° | 120.0° |
| C27 | C28 | C29 | C30 | 120.4° | 120.0° |
| C27 | C28 | C29 | O03 | 119.6° | 120.0° |
| C27 | C28 | C30 | O03 | 120.6° | 120.1° |
| C28 | C27 | C26 | H40 | 73.0° | 60.0° |
| C28 | C27 | C26 | H41 | 46.4° | 60.0° |
| C28 | C27 | H42 | H43 | 120.4° | 120.1° |
| C27 | C28 | C29 | H44 | 180.0° | 60.0° |
| C27 | C28 | C29 | H45 | 60.0° | 180.0° |
| C27 | C28 | C29 | H46 | 60.0° | 59.9° |
| C27 | C28 | C30 | H47 | 180.0° | 60.0° |
| C27 | C28 | C30 | H48 | 60.0° | 180.0° |
| C27 | C28 | C30 | H49 | 60.0° | 60.0° |
| C27 | C28 | O03 | H52 | 180.0° | 180.0° |
| C29 | C28 | C30 | O03 | 119.7° | 119.9° |
| C29 | C28 | C27 | H42 | 177.7° | 65.0° |
| C29 | C28 | C27 | H43 | 57.5° | 55.1° |
| C28 | C29 | H44 | H45 | 120.0° | 119.9° |
| C28 | C29 | H44 | H46 | 120.0° | 120.0° |
| C28 | C29 | H45 | H46 | 120.0° | 120.1° |
| C29 | C28 | C30 | H47 | 60.3° | 179.9° |
| C29 | C28 | C30 | H48 | 179.7° | 59.9° |
| C29 | C28 | C30 | H49 | 59.7° | 60.0° |
| C29 | C28 | O03 | H52 | 60.7° | 60.0° |
| C30 | C28 | C27 | H42 | 58.0° | 175.0° |
| C30 | C28 | C27 | H43 | 62.3° | 65.0° |
| C30 | C28 | C29 | H44 | 59.6° | 60.0° |
| C30 | C28 | C29 | H45 | 60.4° | 60.0° |
| C30 | C28 | C29 | H46 | 179.6° | 180.0° |
| C28 | C30 | H47 | H48 | 120.0° | 120.0° |
| C28 | C30 | H47 | H49 | 120.0° | 120.0° |
| C28 | C30 | H48 | H49 | 120.0° | 119.9° |
| C30 | C28 | O03 | H52 | 59.0° | 60.0° |
| O03 | C28 | C27 | H42 | 62.8° | 54.9° |
| O03 | C28 | C27 | H43 | 176.9° | 175.0° |
| O03 | C28 | C29 | H44 | 60.5° | 180.0° |
| O03 | C28 | C29 | H45 | 179.5° | 60.0° |
| O03 | C28 | C29 | H46 | 59.5° | 60.1° |
| O03 | C28 | C30 | H47 | 59.4° | 60.0° |
| O03 | C28 | C30 | H48 | 60.6° | 60.0° |
| O03 | C28 | C30 | H49 | 179.4° | 179.9° |
| C08 | C04 | C05 | C11 | 47.6° | 44.3° |
| C04 | C08 | C13 | H2 | 148.7° | 115.8° |
| C04 | C08 | C13 | H3 | 90.3° | 122.7° |
| C04 | C08 | C15 | H6 | 45.5° | 57.4° |
| C08 | C04 | C16 | H7 | 73.4° | 52.9° |
| C08 | C04 | C16 | H8 | 166.6° | 67.1° |
| C08 | C04 | C16 | H9 | 46.6° | 172.9° |
| C08 | C04 | C05 | H18 | 57.8° | 73.5° |
| C08 | C04 | C09 | H23 | 38.3° | 60.4° |
| C08 | C04 | C09 | H24 | 79.1° | 60.8° |
| C04 | C08 | C13 | C11 | 29.2° | 3.4° |
| C19 | C14 | C06 | H19 | 55.9° | 65.5° |
| C19 | C14 | O01 | H50 | 58.4° | 60.2° |
| C05 | C11 | C13 | H2 | 120.2° | 143.2° |
| C05 | C11 | C13 | H3 | 118.7° | 95.3° |
| C05 | C11 | H13 | H14 | 123.1° | 123.3° |
| C05 | C11 | H13 | C13 | 113.7° | 113.5° |
| C05 | C11 | H14 | C13 | 113.7° | 113.6° |
| C11 | C05 | C06 | H19 | 60.6° | 55.4° |
| H2 | C13 | H3 | C11 | 121.6° | 121.5° |
| H2 | C13 | C11 | H13 | 120.9° | 98.5° |
| H2 | C13 | C11 | H14 | 1.3° | 24.6° |
| H2 | C13 | C08 | H22 | 35.2° | 125.2° |
| H3 | C13 | C11 | H13 | 0.2° | 23.0° |
| H3 | C13 | C11 | H14 | 122.4° | 146.1° |
| H3 | C13 | C08 | H22 | 156.3° | 3.7° |
| H5 | C14 | C06 | H19 | 63.6° | 54.4° |
| H5 | C14 | C19 | H25 | 10.7° | 33.7° |
| H5 | C14 | O01 | H50 | 57.1° | 60.0° |
| H6 | C15 | C08 | H22 | 171.1° | 179.4° |
| H6 | C15 | C23 | H34 | 50.4° | 65.0° |
| H6 | C15 | C23 | H35 | 69.6° | 175.0° |
| H6 | C15 | C25 | H37 | 54.9° | 60.0° |
| H6 | C15 | C25 | H38 | 174.9° | 60.0° |
| H6 | C15 | C25 | H39 | 65.1° | 180.0° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | C22 | H32 | 50.9° | 62.7° |
| H11 | C18 | C22 | H33 | 68.0° | 57.1° |
| H11 | C18 | C10 | C07 | 65.8° | 60.6° |
| H12 | C18 | C22 | H32 | 169.8° | 177.2° |
| H12 | C18 | C22 | H33 | 51.0° | 63.0° |
| H12 | C18 | C10 | C07 | 53.2° | 59.4° |
| H13 | C11 | H14 | C13 | 123.1° | 123.2° |
| H13 | C11 | C05 | H18 | 164.2° | 42.5° |
| H14 | C11 | C05 | H18 | 42.0° | 165.7° |
| H16 | C12 | C07 | H20 | 44.6° | 55.6° |
| H16 | C12 | C09 | H23 | 40.2° | 58.6° |
| H16 | C12 | C09 | H24 | 77.1° | 62.6° |
| H16 | C12 | C07 | C10 | 68.8° | 62.6° |
| H17 | C12 | C07 | H20 | 163.4° | 174.4° |
| H17 | C12 | C09 | H23 | 159.1° | 177.4° |
| H17 | C12 | C09 | H24 | 41.7° | 56.2° |
| H17 | C12 | C07 | C10 | 50.1° | 56.3° |
| H18 | C05 | C06 | H19 | 179.0° | 177.6° |
| H18 | C05 | C11 | C13 | 76.9° | 75.8° |
| H19 | C06 | C07 | H20 | 175.9° | 176.7° |
| H19 | C06 | C07 | C10 | 57.1° | 58.3° |
| H22 | C08 | C13 | C11 | 84.3° | 115.6° |
| H27 | C20 | H28 | H29 | 120.0° | 120.1° |
| H27 | C20 | C10 | C07 | 58.2° | 55.2° |
| H28 | C20 | C10 | C07 | 178.3° | 64.7° |
| H29 | C20 | C10 | C07 | 61.8° | 175.3° |
| H30 | C21 | C24 | H36 | 52.6° | 54.9° |
| H31 | C21 | C24 | H36 | 172.1° | 175.5° |
| H32 | C22 | C24 | H36 | 174.8° | 176.3° |
| H33 | C22 | C24 | H36 | 55.9° | 63.9° |
| H34 | C23 | C26 | H40 | 129.3° | 180.0° |
| H34 | C23 | C26 | H41 | 111.3° | 60.0° |
| H35 | C23 | C26 | H40 | 9.3° | 60.0° |
| H35 | C23 | C26 | H41 | 128.7° | 180.0° |
| H36 | C24 | O02 | H51 | 63.4° | 60.0° |
| H37 | C25 | H38 | H39 | 120.0° | 120.0° |
| H40 | C26 | C27 | H42 | 167.1° | 180.0° |
| H40 | C26 | C27 | H43 | 46.9° | 60.0° |
| H41 | C26 | C27 | H42 | 73.5° | 60.0° |
| H41 | C26 | C27 | H43 | 166.3° | 180.0° |
| H44 | C29 | H45 | H46 | 120.0° | 120.0° |
| H47 | C30 | H48 | H49 | 120.0° | 120.1° |
