TK3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C28 | C02 | doub | 1.31Å | 1.35Å | |
O01 | C01 | sing | 1.43Å | 1.42Å | |
C02 | C01 | sing | 1.51Å | 1.54Å | |
C02 | C03 | sing | 1.51Å | 1.53Å | |
C01 | C10 | sing | 1.53Å | 1.55Å | |
C03 | C04 | sing | 1.53Å | 1.56Å | |
C03 | O02 | sing | 1.43Å | 1.43Å | |
C10 | C05 | sing | 1.51Å | 1.54Å | |
C04 | C05 | sing | 1.51Å | 1.52Å | |
C35 | C38 | sing | 1.53Å | 1.57Å | |
C35 | C37 | sing | 1.53Å | 1.57Å | |
C35 | C36 | sing | 1.53Å | 1.57Å | |
C38 | C33 | sing | 1.53Å | 1.56Å | |
C05 | C06 | doub | 1.33Å | 1.34Å | |
C37 | C29 | sing | 1.53Å | 1.58Å | |
C36 | C31 | sing | 1.53Å | 1.57Å | |
C06 | C07 | sing | 1.47Å | 1.47Å | |
C33 | C34 | sing | 1.53Å | 1.56Å | |
C33 | C32 | sing | 1.53Å | 1.57Å | |
C29 | C34 | sing | 1.53Å | 1.58Å | |
C29 | C26 | sing | 1.53Å | 1.57Å | |
C29 | C30 | sing | 1.53Å | 1.58Å | |
C31 | C32 | sing | 1.53Å | 1.57Å | |
C31 | C30 | sing | 1.53Å | 1.57Å | |
C18 | C13 | sing | 1.53Å | 1.58Å | |
C07 | C08 | doub | 1.33Å | 1.34Å | |
C26 | C25 | sing | 1.53Å | 1.56Å | |
C08 | C09 | sing | 1.51Å | 1.53Å | |
C08 | C14 | sing | 1.50Å | 1.55Å | |
C11 | C09 | sing | 1.53Å | 1.55Å | |
C11 | C12 | sing | 1.54Å | 1.55Å | |
C13 | C14 | sing | 1.56Å | 1.56Å | |
C13 | C12 | sing | 1.51Å | 1.57Å | |
C13 | C17 | sing | 1.52Å | 1.57Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.56Å | 1.54Å | |
C25 | O03 | sing | 1.43Å | 1.41Å | |
C25 | C24 | sing | 1.47Å | 1.46Å | |
C16 | C17 | sing | 1.55Å | 1.57Å | |
C24 | C23 | trip | 1.17Å | 1.19Å | |
C20 | C17 | sing | 1.53Å | 1.57Å | |
C20 | C21 | sing | 1.53Å | 1.55Å | |
C20 | C22 | sing | 1.53Å | 1.56Å | |
C23 | C22 | sing | 1.47Å | 1.46Å | |
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 | |
C26 | H16 | sing | 1.09Å | 1.10Å | |
C26 | H17 | sing | 1.09Å | 1.10Å | |
C25 | H18 | sing | 1.09Å | 1.10Å | |
C22 | H19 | sing | 1.09Å | 1.10Å | |
C22 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
C17 | H22 | sing | 1.09Å | 1.10Å | |
C21 | H23 | sing | 1.09Å | 1.10Å | |
C21 | H24 | sing | 1.09Å | 1.10Å | |
C21 | H25 | sing | 1.09Å | 1.10Å | |
O03 | H26 | sing | 0.97Å | 0.95Å | |
C14 | H27 | sing | 1.09Å | 1.10Å | |
C15 | H28 | sing | 1.09Å | 1.10Å | |
C15 | H29 | sing | 1.09Å | 1.10Å | |
C16 | H30 | sing | 1.09Å | 1.10Å | |
C16 | H31 | sing | 1.09Å | 1.10Å | |
C12 | H32 | sing | 1.09Å | 1.10Å | |
C12 | H33 | sing | 1.09Å | 1.10Å | |
C11 | H34 | sing | 1.09Å | 1.10Å | |
C11 | H35 | sing | 1.09Å | 1.10Å | |
C09 | H36 | sing | 1.09Å | 1.10Å | |
C09 | H37 | sing | 1.09Å | 1.10Å | |
C18 | H38 | sing | 1.09Å | 1.10Å | |
C18 | H39 | sing | 1.09Å | 1.10Å | |
C18 | H40 | sing | 1.09Å | 1.10Å | |
C07 | H41 | sing | 1.08Å | 1.08Å | |
C06 | H42 | sing | 1.08Å | 1.08Å | |
C04 | H43 | sing | 1.09Å | 1.10Å | |
C04 | H44 | sing | 1.09Å | 1.10Å | |
C03 | H45 | sing | 1.09Å | 1.10Å | |
C01 | H46 | sing | 1.09Å | 1.10Å | |
C10 | H47 | sing | 1.09Å | 1.10Å | |
C10 | H48 | sing | 1.09Å | 1.10Å | |
C28 | H49 | sing | 1.08Å | 1.08Å | |
C28 | H50 | sing | 1.08Å | 1.08Å | |
O01 | H51 | sing | 0.97Å | 0.95Å | |
O02 | H52 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C28 | C02 | C01 | 124.3° | 120.6° |
C28 | C02 | C03 | 123.5° | 120.6° |
C02 | C28 | H49 | 120.0° | 120.1° |
C02 | C28 | H50 | 120.0° | 119.9° |
O01 | C01 | C02 | 109.6° | 109.6° |
O01 | C01 | C10 | 109.1° | 109.7° |
O01 | C01 | H46 | 109.8° | 109.8° |
C01 | O01 | H51 | 109.5° | 113.9° |
C01 | C02 | C03 | 112.1° | 118.8° |
C02 | C01 | C10 | 112.1° | 108.6° |
C02 | C01 | H46 | 108.2° | 109.6° |
C02 | C03 | C04 | 110.8° | 108.6° |
C02 | C03 | O02 | 108.7° | 109.6° |
C02 | C03 | H45 | 108.7° | 109.7° |
C01 | C10 | C05 | 115.3° | 108.9° |
C10 | C01 | H46 | 108.1° | 109.5° |
C01 | C10 | H47 | 108.0° | 109.6° |
C01 | C10 | H48 | 108.0° | 109.6° |
C04 | C03 | O02 | 110.2° | 109.6° |
C03 | C04 | C05 | 115.2° | 108.6° |
C03 | C04 | H43 | 108.0° | 109.6° |
C03 | C04 | H44 | 108.0° | 109.7° |
C04 | C03 | H45 | 108.4° | 109.6° |
O02 | C03 | H45 | 110.0° | 109.6° |
C03 | O02 | H52 | 109.5° | 114.0° |
C10 | C05 | C04 | 114.8° | 118.8° |
C10 | C05 | C06 | 125.4° | 120.6° |
C05 | C10 | H47 | 108.0° | 109.7° |
C05 | C10 | H48 | 108.0° | 109.3° |
C04 | C05 | C06 | 119.9° | 120.6° |
C05 | C04 | H43 | 108.0° | 109.7° |
C05 | C04 | H44 | 108.0° | 109.6° |
C38 | C35 | C37 | 109.5° | 109.5° |
C38 | C35 | C36 | 110.1° | 109.5° |
C35 | C38 | C33 | 109.5° | 109.5° |
C35 | C38 | H13 | 109.5° | 109.5° |
C35 | C38 | H14 | 109.5° | 109.5° |
C38 | C35 | H15 | 109.5° | 109.5° |
C37 | C35 | C36 | 108.7° | 109.5° |
C35 | C37 | C29 | 110.5° | 109.4° |
C35 | C37 | H9 | 109.2° | 109.5° |
C35 | C37 | H10 | 109.2° | 109.5° |
C37 | C35 | H15 | 109.5° | 109.5° |
C35 | C36 | C31 | 109.7° | 109.5° |
C35 | C36 | H11 | 109.4° | 109.5° |
C35 | C36 | H12 | 109.4° | 109.5° |
C36 | C35 | H15 | 109.5° | 109.5° |
C38 | C33 | C34 | 108.9° | 109.5° |
C38 | C33 | C32 | 109.9° | 109.5° |
C38 | C33 | H6 | 109.5° | 109.4° |
C33 | C38 | H13 | 109.5° | 109.5° |
C33 | C38 | H14 | 109.5° | 109.5° |
C05 | C06 | C07 | 127.4° | 120.0° |
C05 | C06 | H42 | 116.3° | 120.0° |
C37 | C29 | C34 | 108.2° | 109.5° |
C37 | C29 | C26 | 106.4° | 109.4° |
C37 | C29 | C30 | 108.7° | 109.5° |
C29 | C37 | H9 | 109.2° | 109.5° |
C29 | C37 | H10 | 109.2° | 109.4° |
C36 | C31 | C32 | 109.4° | 109.5° |
C36 | C31 | C30 | 109.6° | 109.5° |
C36 | C31 | H3 | 109.5° | 109.5° |
C31 | C36 | H11 | 109.4° | 109.4° |
C31 | C36 | H12 | 109.4° | 109.5° |
C06 | C07 | C08 | 127.4° | 120.0° |
C06 | C07 | H41 | 116.3° | 120.1° |
C07 | C06 | H42 | 116.3° | 120.0° |
C34 | C33 | C32 | 109.4° | 109.5° |
C33 | C34 | C29 | 110.9° | 109.5° |
C34 | C33 | H6 | 109.6° | 109.5° |
C33 | C34 | H7 | 109.1° | 109.4° |
C33 | C34 | H8 | 109.1° | 109.5° |
C33 | C32 | C31 | 109.5° | 109.5° |
C33 | C32 | H4 | 109.5° | 109.5° |
C33 | C32 | H5 | 109.5° | 109.5° |
C32 | C33 | H6 | 109.5° | 109.5° |
C34 | C29 | C26 | 112.0° | 109.5° |
C34 | C29 | C30 | 108.4° | 109.5° |
C29 | C34 | H7 | 109.1° | 109.5° |
C29 | C34 | H8 | 109.1° | 109.5° |
C26 | C29 | C30 | 112.9° | 109.5° |
C29 | C26 | C25 | 120.3° | 109.4° |
C29 | C26 | H16 | 106.7° | 109.5° |
C29 | C26 | H17 | 106.7° | 109.4° |
C29 | C30 | C31 | 109.9° | 109.5° |
C29 | C30 | H1 | 109.3° | 109.4° |
C29 | C30 | H2 | 109.3° | 109.5° |
C32 | C31 | C30 | 109.5° | 109.5° |
C32 | C31 | H3 | 109.4° | 109.5° |
C31 | C32 | H4 | 109.5° | 109.4° |
C31 | C32 | H5 | 109.5° | 109.5° |
C31 | C30 | H1 | 109.4° | 109.5° |
C31 | C30 | H2 | 109.4° | 109.5° |
C30 | C31 | H3 | 109.4° | 109.4° |
C18 | C13 | C14 | 113.8° | 109.2° |
C18 | C13 | C12 | 111.2° | 108.8° |
C18 | C13 | C17 | 111.2° | 109.3° |
C13 | C18 | H38 | 109.5° | 109.5° |
C13 | C18 | H39 | 109.5° | 109.5° |
C13 | C18 | H40 | 109.5° | 109.5° |
C07 | C08 | C09 | 126.9° | 122.3° |
C07 | C08 | C14 | 123.4° | 121.9° |
C08 | C07 | H41 | 116.3° | 119.9° |
C26 | C25 | O03 | 109.9° | 109.5° |
C26 | C25 | C24 | 109.4° | 109.5° |
C25 | C26 | H16 | 106.7° | 109.5° |
C25 | C26 | H17 | 106.7° | 109.5° |
C26 | C25 | H18 | 108.5° | 109.5° |
C09 | C08 | C14 | 109.7° | 115.8° |
C08 | C09 | C11 | 112.6° | 110.8° |
C08 | C09 | H36 | 108.7° | 109.4° |
C08 | C09 | H37 | 108.7° | 108.9° |
C08 | C14 | C13 | 110.1° | 105.5° |
C08 | C14 | C15 | 119.4° | 117.1° |
C08 | C14 | H27 | 107.6° | 110.7° |
C09 | C11 | C12 | 112.0° | 111.8° |
C09 | C11 | H34 | 108.8° | 109.0° |
C09 | C11 | H35 | 108.8° | 109.0° |
C11 | C09 | H36 | 108.7° | 109.2° |
C11 | C09 | H37 | 108.7° | 109.2° |
C11 | C12 | C13 | 113.3° | 107.5° |
C11 | C12 | H32 | 108.5° | 109.8° |
C11 | C12 | H33 | 108.5° | 109.9° |
C12 | C11 | H34 | 108.8° | 108.7° |
C12 | C11 | H35 | 108.9° | 109.2° |
C14 | C13 | C12 | 106.2° | 107.6° |
C14 | C13 | C17 | 98.6° | 103.2° |
C13 | C14 | C15 | 104.0° | 101.3° |
C13 | C14 | H27 | 107.4° | 110.8° |
C12 | C13 | C17 | 115.2° | 118.3° |
C13 | C12 | H32 | 108.5° | 109.8° |
C13 | C12 | H33 | 108.5° | 109.8° |
C13 | C17 | C16 | 103.4° | 105.1° |
C13 | C17 | C20 | 119.3° | 110.3° |
C13 | C17 | H22 | 106.6° | 110.3° |
C14 | C15 | C16 | 103.1° | 102.7° |
C15 | C14 | H27 | 107.8° | 110.8° |
C14 | C15 | H28 | 111.1° | 110.8° |
C14 | C15 | H29 | 111.0° | 110.7° |
C15 | C16 | C17 | 107.4° | 106.2° |
C16 | C15 | H28 | 111.0° | 110.8° |
C16 | C15 | H29 | 111.0° | 110.7° |
C15 | C16 | H30 | 110.0° | 110.1° |
C15 | C16 | H31 | 110.0° | 110.1° |
O03 | C25 | C24 | 108.5° | 109.5° |
O03 | C25 | H18 | 110.6° | 109.4° |
C25 | O03 | H26 | 109.5° | 114.0° |
C25 | C24 | C23 | 176.5° | 180.0° |
C24 | C25 | H18 | 109.8° | 109.5° |
C16 | C17 | C20 | 113.6° | 110.3° |
C16 | C17 | H22 | 106.6° | 110.3° |
C17 | C16 | H30 | 110.0° | 110.2° |
C17 | C16 | H31 | 110.0° | 110.0° |
C24 | C23 | C22 | 176.9° | 180.0° |
C17 | C20 | C21 | 113.9° | 109.5° |
C17 | C20 | C22 | 113.0° | 109.5° |
C17 | C20 | H21 | 107.9° | 109.5° |
C20 | C17 | H22 | 106.5° | 110.3° |
C21 | C20 | C22 | 105.5° | 109.5° |
C21 | C20 | H21 | 108.2° | 109.5° |
C20 | C21 | H23 | 109.5° | 109.5° |
C20 | C21 | H24 | 109.4° | 109.5° |
C20 | C21 | H25 | 109.5° | 109.5° |
C20 | C22 | C23 | 112.8° | 109.5° |
C20 | C22 | H19 | 108.7° | 109.4° |
C20 | C22 | H20 | 108.7° | 109.5° |
C22 | C20 | H21 | 108.1° | 109.5° |
C23 | C22 | H19 | 108.6° | 109.5° |
C23 | C22 | H20 | 108.6° | 109.5° |
H1 | C30 | H2 | 109.5° | 109.5° |
H4 | C32 | H5 | 109.4° | 109.5° |
H7 | C34 | H8 | 109.5° | 109.4° |
H9 | C37 | H10 | 109.5° | 109.5° |
H11 | C36 | H12 | 109.5° | 109.5° |
H13 | C38 | H14 | 109.5° | 109.5° |
H16 | C26 | H17 | 109.4° | 109.5° |
H19 | C22 | H20 | 109.5° | 109.5° |
H23 | C21 | H24 | 109.5° | 109.5° |
H23 | C21 | H25 | 109.4° | 109.5° |
H24 | C21 | H25 | 109.5° | 109.5° |
H28 | C15 | H29 | 109.5° | 110.9° |
H30 | C16 | H31 | 109.5° | 110.1° |
H32 | C12 | H33 | 109.5° | 109.9° |
H34 | C11 | H35 | 109.5° | 109.0° |
H36 | C09 | H37 | 109.5° | 109.3° |
H38 | C18 | H39 | 109.5° | 109.4° |
H38 | C18 | H40 | 109.5° | 109.5° |
H39 | C18 | H40 | 109.5° | 109.5° |
H43 | C04 | H44 | 109.5° | 109.6° |
H47 | C10 | H48 | 109.5° | 109.7° |
H49 | C28 | H50 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C28 | C02 | C01 | O01 | 1.0° | 4.9° |
C28 | C02 | C01 | C03 | 177.2° | 179.9° |
C28 | C02 | C01 | C10 | 122.2° | 124.7° |
C28 | C02 | C03 | C04 | 120.8° | 124.6° |
C28 | C02 | C03 | O02 | 117.9° | 115.7° |
C28 | C02 | C03 | H45 | 1.8° | 4.7° |
C28 | C02 | C01 | H46 | 118.7° | 115.7° |
C02 | C28 | H49 | H50 | 179.9° | 180.0° |
O01 | C01 | C02 | C10 | 121.3° | 119.8° |
O01 | C01 | C02 | H46 | 119.7° | 120.6° |
O01 | C01 | C02 | C03 | 176.2° | 175.0° |
O01 | C01 | C10 | H46 | 119.3° | 120.5° |
O01 | C01 | C10 | C05 | 167.6° | 169.0° |
O01 | C01 | C10 | H47 | 46.7° | 71.0° |
O01 | C01 | C10 | H48 | 71.6° | 49.5° |
C02 | C01 | C10 | H46 | 119.2° | 119.7° |
C01 | C02 | C03 | C04 | 56.4° | 55.3° |
C01 | C02 | C03 | O02 | 64.9° | 64.4° |
C02 | C01 | C10 | C05 | 46.0° | 49.3° |
C01 | C02 | C03 | H45 | 175.4° | 175.1° |
C02 | C01 | C10 | H47 | 74.8° | 169.2° |
C02 | C01 | C10 | H48 | 166.9° | 70.3° |
C01 | C02 | C28 | H49 | 176.8° | 0.0° |
C01 | C02 | C28 | H50 | 3.1° | 180.0° |
C02 | C01 | O01 | H51 | 180.0° | 60.1° |
C03 | C02 | C01 | C10 | 55.0° | 55.2° |
C02 | C03 | C04 | O02 | 120.4° | 119.7° |
C02 | C03 | C04 | H45 | 119.2° | 119.9° |
C02 | C03 | O02 | H45 | 118.9° | 120.5° |
C02 | C03 | C04 | C05 | 49.9° | 49.5° |
C02 | C03 | C04 | H43 | 170.7° | 70.3° |
C02 | C03 | C04 | H44 | 70.9° | 169.3° |
C03 | C02 | C01 | H46 | 64.1° | 64.4° |
C03 | C02 | C28 | H49 | 0.0° | 179.9° |
C03 | C02 | C28 | H50 | 180.0° | 0.1° |
C02 | C03 | O02 | H52 | 180.0° | 60.8° |
C01 | C10 | C05 | H47 | 120.9° | 119.9° |
C01 | C10 | C05 | H48 | 120.9° | 119.7° |
C01 | C10 | C05 | C04 | 39.6° | 55.0° |
C01 | C10 | C05 | C06 | 140.3° | 124.7° |
C01 | C10 | H47 | H48 | 117.4° | 120.4° |
C10 | C01 | O01 | H51 | 57.0° | 179.2° |
C04 | C03 | O02 | H45 | 119.5° | 120.4° |
C03 | C04 | C05 | C10 | 41.6° | 55.1° |
C03 | C04 | C05 | H43 | 120.8° | 119.8° |
C03 | C04 | C05 | H44 | 120.9° | 119.9° |
C03 | C04 | C05 | C06 | 138.4° | 124.7° |
C03 | C04 | H43 | H44 | 117.4° | 120.5° |
C04 | C03 | O02 | H52 | 58.4° | 180.0° |
O02 | C03 | C04 | C05 | 70.5° | 70.3° |
O02 | C03 | C04 | H43 | 50.4° | 169.9° |
O02 | C03 | C04 | H44 | 168.7° | 49.5° |
C10 | C05 | C04 | C06 | 179.9° | 179.7° |
C10 | C05 | C06 | C07 | 1.1° | 4.8° |
C10 | C05 | C06 | H42 | 178.9° | 175.2° |
C10 | C05 | C04 | H43 | 162.4° | 64.7° |
C10 | C05 | C04 | H44 | 79.3° | 174.9° |
C05 | C10 | C01 | H46 | 73.1° | 70.4° |
C05 | C10 | H47 | H48 | 117.3° | 120.1° |
C04 | C05 | C06 | C07 | 178.8° | 174.9° |
C04 | C05 | C06 | H42 | 1.2° | 5.1° |
C05 | C04 | H43 | H44 | 117.3° | 120.3° |
C05 | C04 | C03 | H45 | 169.1° | 169.4° |
C04 | C05 | C10 | H47 | 81.3° | 174.9° |
C04 | C05 | C10 | H48 | 160.4° | 64.7° |
C38 | C35 | C37 | C36 | 120.3° | 120.0° |
C38 | C35 | C37 | H15 | 120.1° | 120.0° |
C38 | C35 | C36 | H15 | 120.4° | 120.0° |
C35 | C38 | C33 | H13 | 120.0° | 120.0° |
C35 | C38 | C33 | H14 | 120.0° | 120.0° |
C38 | C35 | C37 | C29 | 59.7° | 60.0° |
C38 | C35 | C36 | C31 | 59.4° | 60.0° |
C35 | C38 | C33 | C34 | 60.6° | 60.0° |
C35 | C38 | C33 | C32 | 59.3° | 60.0° |
C35 | C38 | C33 | H6 | 179.6° | 180.0° |
C38 | C35 | C37 | H9 | 179.8° | 60.0° |
C38 | C35 | C37 | H10 | 60.5° | 179.9° |
C38 | C35 | C36 | H11 | 60.7° | 179.9° |
C38 | C35 | C36 | H12 | 179.4° | 60.0° |
C35 | C38 | H13 | H14 | 120.0° | 120.0° |
C37 | C35 | C36 | H15 | 119.6° | 120.0° |
C37 | C35 | C38 | C33 | 60.4° | 60.0° |
C35 | C37 | C29 | H9 | 120.1° | 120.0° |
C35 | C37 | C29 | H10 | 120.2° | 120.0° |
C37 | C35 | C36 | C31 | 60.6° | 60.0° |
C35 | C37 | C29 | C34 | 58.1° | 60.0° |
C35 | C37 | C29 | C26 | 178.7° | 180.0° |
C35 | C37 | C29 | C30 | 59.5° | 60.0° |
C35 | C37 | H9 | H10 | 119.5° | 120.0° |
C37 | C35 | C36 | H11 | 179.4° | 59.9° |
C37 | C35 | C36 | H12 | 59.4° | 180.0° |
C37 | C35 | C38 | H13 | 59.6° | 180.0° |
C37 | C35 | C38 | H14 | 179.6° | 60.0° |
C36 | C35 | C38 | C33 | 59.1° | 60.0° |
C36 | C35 | C37 | C29 | 60.6° | 60.0° |
C35 | C36 | C31 | H11 | 120.0° | 120.0° |
C35 | C36 | C31 | H12 | 120.0° | 120.0° |
C35 | C36 | C31 | C32 | 59.6° | 60.0° |
C35 | C36 | C31 | C30 | 60.5° | 60.0° |
C35 | C36 | C31 | H3 | 179.5° | 180.0° |
C36 | C35 | C37 | H9 | 59.5° | 180.0° |
C36 | C35 | C37 | H10 | 179.2° | 60.0° |
C35 | C36 | H11 | H12 | 119.9° | 120.0° |
C36 | C35 | C38 | H13 | 179.1° | 60.0° |
C36 | C35 | C38 | H14 | 60.9° | 180.0° |
C38 | C33 | C34 | C32 | 120.1° | 120.0° |
C38 | C33 | C34 | H6 | 119.8° | 120.0° |
C38 | C33 | C32 | H6 | 120.3° | 120.0° |
C38 | C33 | C34 | C29 | 60.6° | 60.0° |
C38 | C33 | C32 | C31 | 59.9° | 60.0° |
C38 | C33 | C32 | H4 | 179.9° | 60.0° |
C38 | C33 | C32 | H5 | 60.1° | 180.0° |
C38 | C33 | C34 | H7 | 59.6° | 180.0° |
C38 | C33 | C34 | H8 | 179.2° | 60.1° |
C33 | C38 | H13 | H14 | 120.0° | 120.0° |
C33 | C38 | C35 | H15 | 179.6° | 180.0° |
C05 | C06 | C07 | H42 | 180.0° | 180.0° |
C05 | C06 | C07 | C08 | 153.3° | 174.8° |
C05 | C06 | C07 | H41 | 26.7° | 5.1° |
C06 | C05 | C04 | H43 | 17.5° | 115.6° |
C06 | C05 | C04 | H44 | 100.8° | 4.8° |
C06 | C05 | C10 | H47 | 98.8° | 4.8° |
C06 | C05 | C10 | H48 | 19.5° | 115.5° |
C37 | C29 | C34 | C33 | 58.9° | 60.1° |
C37 | C29 | C34 | C26 | 117.0° | 120.0° |
C37 | C29 | C34 | C30 | 117.8° | 120.0° |
C37 | C29 | C26 | C30 | 119.2° | 120.0° |
C37 | C29 | C30 | C31 | 58.5° | 60.0° |
C37 | C29 | C26 | C25 | 160.0° | 174.0° |
C37 | C29 | C30 | H1 | 61.6° | 60.0° |
C37 | C29 | C30 | H2 | 178.6° | 180.0° |
C37 | C29 | C34 | H7 | 61.3° | 180.0° |
C37 | C29 | C34 | H8 | 179.1° | 60.0° |
C29 | C37 | H9 | H10 | 119.5° | 120.0° |
C29 | C37 | C35 | H15 | 179.8° | 180.0° |
C37 | C29 | C26 | H16 | 38.5° | 66.0° |
C37 | C29 | C26 | H17 | 78.4° | 54.0° |
C36 | C31 | C32 | C33 | 59.8° | 60.0° |
C36 | C31 | C30 | C29 | 59.5° | 60.0° |
C36 | C31 | C32 | C30 | 120.1° | 120.0° |
C36 | C31 | C32 | H3 | 119.9° | 120.0° |
C36 | C31 | C30 | H3 | 120.0° | 120.0° |
C36 | C31 | C30 | H1 | 60.5° | 60.0° |
C36 | C31 | C30 | H2 | 179.6° | 180.0° |
C36 | C31 | C32 | H4 | 179.8° | 60.0° |
C36 | C31 | C32 | H5 | 60.2° | 180.0° |
C31 | C36 | H11 | H12 | 119.9° | 120.0° |
C31 | C36 | C35 | H15 | 179.8° | 180.0° |
C06 | C07 | C08 | H41 | 180.0° | 180.0° |
C06 | C07 | C08 | C09 | 0.1° | 0.0° |
C06 | C07 | C08 | C14 | 179.1° | 179.5° |
C34 | C33 | C32 | H6 | 120.1° | 120.1° |
C33 | C34 | C29 | H7 | 120.2° | 120.0° |
C33 | C34 | C29 | H8 | 120.2° | 120.1° |
C33 | C34 | C29 | C26 | 175.9° | 180.0° |
C33 | C34 | C29 | C30 | 58.9° | 60.0° |
C34 | C33 | C32 | C31 | 59.6° | 60.0° |
C34 | C33 | C32 | H4 | 60.4° | 179.9° |
C34 | C33 | C32 | H5 | 179.7° | 60.0° |
C33 | C34 | H7 | H8 | 119.3° | 120.0° |
C34 | C33 | C38 | H13 | 59.4° | 180.0° |
C34 | C33 | C38 | H14 | 179.4° | 60.0° |
C32 | C33 | C34 | C29 | 59.5° | 60.0° |
C33 | C32 | C31 | H4 | 120.0° | 120.0° |
C33 | C32 | C31 | H5 | 120.0° | 120.0° |
C33 | C32 | C31 | C30 | 60.3° | 60.0° |
C33 | C32 | C31 | H3 | 179.7° | 180.0° |
C33 | C32 | H4 | H5 | 120.0° | 120.0° |
C32 | C33 | C34 | H7 | 179.8° | 60.0° |
C32 | C33 | C34 | H8 | 60.7° | 180.0° |
C32 | C33 | C38 | H13 | 179.3° | 60.0° |
C32 | C33 | C38 | H14 | 60.7° | 180.0° |
C34 | C29 | C26 | C30 | 122.8° | 120.0° |
C34 | C29 | C30 | C31 | 58.9° | 60.0° |
C34 | C29 | C26 | C25 | 81.9° | 54.0° |
C34 | C29 | C30 | H1 | 179.0° | 180.0° |
C34 | C29 | C30 | H2 | 61.1° | 60.0° |
C29 | C34 | C33 | H6 | 179.6° | 180.0° |
C29 | C34 | H7 | H8 | 119.4° | 120.0° |
C34 | C29 | C37 | H9 | 178.3° | 60.0° |
C34 | C29 | C37 | H10 | 62.0° | 180.0° |
C34 | C29 | C26 | H16 | 156.6° | 174.0° |
C34 | C29 | C26 | H17 | 39.6° | 66.0° |
C26 | C29 | C30 | C31 | 176.3° | 180.0° |
C29 | C26 | C25 | H16 | 121.5° | 120.0° |
C29 | C26 | C25 | H17 | 121.6° | 120.0° |
C29 | C26 | C25 | O03 | 166.8° | 66.6° |
C29 | C26 | C25 | C24 | 74.2° | 173.4° |
C26 | C29 | C30 | H1 | 56.2° | 60.0° |
C26 | C29 | C30 | H2 | 63.6° | 60.0° |
C26 | C29 | C34 | H7 | 55.7° | 60.0° |
C26 | C29 | C34 | H8 | 63.9° | 59.9° |
C26 | C29 | C37 | H9 | 61.2° | 60.0° |
C26 | C29 | C37 | H10 | 58.5° | 60.0° |
C29 | C26 | H16 | H17 | 115.1° | 120.0° |
C29 | C26 | C25 | H18 | 45.7° | 53.3° |
C29 | C30 | C31 | C32 | 60.5° | 60.0° |
C29 | C30 | C31 | H1 | 120.1° | 120.0° |
C29 | C30 | C31 | H2 | 120.0° | 120.0° |
C30 | C29 | C26 | C25 | 40.9° | 66.0° |
C29 | C30 | H1 | H2 | 119.8° | 120.0° |
C29 | C30 | C31 | H3 | 179.6° | 180.0° |
C30 | C29 | C34 | H7 | 179.1° | 60.0° |
C30 | C29 | C34 | H8 | 61.3° | 179.9° |
C30 | C29 | C37 | H9 | 60.7° | 180.0° |
C30 | C29 | C37 | H10 | 179.6° | 60.0° |
C30 | C29 | C26 | H16 | 80.7° | 54.0° |
C30 | C29 | C26 | H17 | 162.4° | 174.0° |
C32 | C31 | C30 | H3 | 119.9° | 120.0° |
C32 | C31 | C30 | H1 | 179.4° | 180.0° |
C32 | C31 | C30 | H2 | 59.5° | 60.0° |
C31 | C32 | H4 | H5 | 120.0° | 120.0° |
C31 | C32 | C33 | H6 | 179.8° | 180.0° |
C32 | C31 | C36 | H11 | 60.4° | 180.0° |
C32 | C31 | C36 | H12 | 179.6° | 60.0° |
C31 | C30 | H1 | H2 | 119.8° | 120.0° |
C30 | C31 | C32 | H4 | 59.7° | 180.0° |
C30 | C31 | C32 | H5 | 179.7° | 60.0° |
C30 | C31 | C36 | H11 | 179.4° | 60.0° |
C30 | C31 | C36 | H12 | 59.5° | 180.0° |
C18 | C13 | C14 | C08 | 59.7° | 51.9° |
C18 | C13 | C12 | C11 | 67.3° | 50.1° |
C18 | C13 | C14 | C12 | 122.6° | 118.0° |
C18 | C13 | C14 | C17 | 117.8° | 116.2° |
C18 | C13 | C12 | C17 | 127.7° | 125.5° |
C18 | C13 | C14 | C15 | 69.3° | 70.6° |
C18 | C13 | C17 | C16 | 80.0° | 85.9° |
C18 | C13 | C17 | C20 | 47.2° | 33.0° |
C18 | C13 | C17 | H22 | 167.8° | 155.2° |
C18 | C13 | C14 | H27 | 176.6° | 171.8° |
C18 | C13 | C12 | H32 | 172.1° | 69.4° |
C18 | C13 | C12 | H33 | 53.3° | 169.7° |
C13 | C18 | H38 | H39 | 120.0° | 120.0° |
C13 | C18 | H38 | H40 | 120.0° | 120.0° |
C13 | C18 | H39 | H40 | 120.0° | 120.1° |
C07 | C08 | C09 | C14 | 179.3° | 179.5° |
C07 | C08 | C09 | C11 | 125.4° | 129.8° |
C07 | C08 | C14 | C13 | 117.2° | 121.9° |
C07 | C08 | C14 | C15 | 3.0° | 10.2° |
C07 | C08 | C14 | H27 | 126.1° | 118.1° |
C07 | C08 | C09 | H36 | 114.2° | 9.2° |
C07 | C08 | C09 | H37 | 5.0° | 110.2° |
C08 | C07 | C06 | H42 | 26.7° | 5.1° |
C26 | C25 | O03 | C24 | 119.6° | 120.0° |
C26 | C25 | O03 | H18 | 119.8° | 120.0° |
C26 | C25 | C24 | H18 | 119.0° | 120.0° |
C26 | C25 | C24 | C23 | 30.2° | 15.2° |
C25 | C26 | H16 | H17 | 115.1° | 120.1° |
C26 | C25 | O03 | H26 | 180.0° | 60.0° |
C08 | C09 | C11 | H36 | 120.4° | 120.7° |
C08 | C09 | C11 | H37 | 120.4° | 119.9° |
C08 | C09 | C11 | C12 | 49.1° | 48.2° |
C09 | C08 | C14 | C13 | 63.5° | 57.6° |
C09 | C08 | C14 | C15 | 176.3° | 169.3° |
C09 | C08 | C14 | H27 | 53.2° | 62.4° |
C08 | C09 | C11 | H34 | 169.5° | 72.0° |
C08 | C09 | C11 | H35 | 71.3° | 169.1° |
C08 | C09 | H36 | H37 | 118.6° | 119.1° |
C09 | C08 | C07 | H41 | 179.9° | 180.0° |
C14 | C08 | C09 | C11 | 55.3° | 49.7° |
C08 | C14 | C13 | C15 | 129.0° | 122.5° |
C08 | C14 | C13 | H27 | 116.9° | 119.9° |
C08 | C14 | C13 | C12 | 62.9° | 66.0° |
C08 | C14 | C13 | C17 | 177.6° | 168.1° |
C08 | C14 | C15 | H27 | 123.0° | 128.3° |
C08 | C14 | C15 | C16 | 160.9° | 156.5° |
C08 | C14 | C15 | H28 | 41.9° | 38.1° |
C08 | C14 | C15 | H29 | 80.2° | 85.3° |
C14 | C08 | C09 | H36 | 65.1° | 170.2° |
C14 | C08 | C09 | H37 | 175.8° | 70.4° |
C14 | C08 | C07 | H41 | 0.9° | 0.6° |
C09 | C11 | C12 | H34 | 120.4° | 120.4° |
C09 | C11 | C12 | H35 | 120.4° | 120.8° |
C09 | C11 | C12 | C13 | 51.0° | 59.0° |
C09 | C11 | C12 | H32 | 69.5° | 178.5° |
C09 | C11 | C12 | H33 | 171.6° | 60.5° |
C09 | C11 | H34 | H35 | 118.9° | 118.9° |
C11 | C09 | H36 | H37 | 118.6° | 119.4° |
C11 | C12 | C13 | C14 | 57.0° | 68.1° |
C11 | C12 | C13 | H32 | 120.5° | 119.5° |
C11 | C12 | C13 | H33 | 120.6° | 119.6° |
C11 | C12 | C13 | C17 | 165.0° | 175.6° |
C11 | C12 | H32 | H33 | 118.3° | 121.0° |
C12 | C11 | H34 | H35 | 118.9° | 119.0° |
C12 | C11 | C09 | H36 | 71.3° | 168.9° |
C12 | C11 | C09 | H37 | 169.6° | 71.6° |
C14 | C13 | C12 | C17 | 108.0° | 116.4° |
C13 | C14 | C15 | H27 | 113.8° | 117.6° |
C13 | C14 | C15 | C16 | 37.7° | 42.4° |
C14 | C13 | C17 | C16 | 39.8° | 30.2° |
C14 | C13 | C17 | C20 | 167.0° | 149.1° |
C14 | C13 | C17 | H22 | 72.5° | 88.8° |
C13 | C14 | C15 | H28 | 81.3° | 76.0° |
C13 | C14 | C15 | H29 | 156.7° | 160.6° |
C14 | C13 | C12 | H32 | 63.6° | 172.5° |
C14 | C13 | C12 | H33 | 177.6° | 51.5° |
C14 | C13 | C18 | H38 | 180.0° | 65.7° |
C14 | C13 | C18 | H39 | 60.0° | 174.4° |
C14 | C13 | C18 | H40 | 60.0° | 54.3° |
C12 | C13 | C14 | C15 | 168.1° | 171.4° |
C12 | C13 | C17 | C16 | 152.3° | 148.8° |
C12 | C13 | C17 | C20 | 80.4° | 92.2° |
C12 | C13 | C17 | H22 | 40.1° | 29.9° |
C12 | C13 | C14 | H27 | 54.0° | 53.9° |
C13 | C12 | H32 | H33 | 118.2° | 120.9° |
C13 | C12 | C11 | H34 | 171.4° | 61.4° |
C13 | C12 | C11 | H35 | 69.4° | 179.8° |
C12 | C13 | C18 | H38 | 60.1° | 177.1° |
C12 | C13 | C18 | H39 | 59.9° | 57.2° |
C12 | C13 | C18 | H40 | 179.9° | 62.9° |
C17 | C13 | C14 | C15 | 48.5° | 45.6° |
C13 | C17 | C16 | C15 | 18.3° | 3.9° |
C13 | C17 | C16 | C20 | 130.7° | 119.0° |
C13 | C17 | C16 | H22 | 112.2° | 118.9° |
C13 | C17 | C20 | H22 | 120.6° | 122.2° |
C13 | C17 | C20 | C21 | 64.3° | 61.4° |
C13 | C17 | C20 | C22 | 175.3° | 178.5° |
C13 | C17 | C20 | H21 | 55.9° | 58.6° |
C17 | C13 | C14 | H27 | 65.6° | 72.0° |
C13 | C17 | C16 | H30 | 101.3° | 123.1° |
C13 | C17 | C16 | H31 | 138.0° | 115.3° |
C17 | C13 | C12 | H32 | 44.5° | 56.1° |
C17 | C13 | C12 | H33 | 74.4° | 64.8° |
C17 | C13 | C18 | H38 | 69.7° | 46.6° |
C17 | C13 | C18 | H39 | 170.3° | 73.4° |
C17 | C13 | C18 | H40 | 50.3° | 166.6° |
C14 | C15 | C16 | H28 | 119.0° | 118.3° |
C14 | C15 | C16 | H29 | 118.9° | 118.2° |
C14 | C15 | C16 | C17 | 11.6° | 24.3° |
C14 | C15 | H28 | H29 | 123.0° | 123.3° |
C14 | C15 | C16 | H30 | 131.2° | 95.1° |
C14 | C15 | C16 | H31 | 108.1° | 143.4° |
C15 | C16 | C17 | H30 | 119.7° | 119.2° |
C15 | C16 | C17 | H31 | 119.7° | 119.1° |
C15 | C16 | C17 | C20 | 149.1° | 122.8° |
C15 | C16 | C17 | H22 | 93.9° | 115.1° |
C16 | C15 | C14 | H27 | 76.1° | 75.3° |
C16 | C15 | H28 | H29 | 123.0° | 123.3° |
C15 | C16 | H30 | H31 | 120.9° | 121.5° |
O03 | C25 | C24 | H18 | 121.1° | 120.0° |
O03 | C25 | C24 | C23 | 150.1° | 104.8° |
O03 | C25 | C26 | H16 | 45.2° | 53.3° |
O03 | C25 | C26 | H17 | 71.7° | 173.4° |
C25 | C24 | C23 | C22 | 1.8° | 79.2° |
C24 | C25 | C26 | H16 | 164.3° | 66.7° |
C24 | C25 | C26 | H17 | 47.4° | 53.4° |
C24 | C25 | O03 | H26 | 60.4° | 60.0° |
C16 | C17 | C20 | H22 | 117.1° | 122.1° |
C16 | C17 | C20 | C21 | 173.3° | 177.2° |
C16 | C17 | C20 | C22 | 53.0° | 62.8° |
C16 | C17 | C20 | H21 | 66.4° | 57.2° |
C17 | C16 | C15 | H28 | 107.4° | 94.1° |
C17 | C16 | C15 | H29 | 130.5° | 142.5° |
C17 | C16 | H30 | H31 | 120.9° | 121.6° |
C24 | C23 | C22 | C20 | 7.2° | 154.5° |
C23 | C24 | C25 | H18 | 88.9° | 135.2° |
C24 | C23 | C22 | H19 | 127.7° | 85.6° |
C24 | C23 | C22 | H20 | 113.3° | 34.4° |
C17 | C20 | C21 | C22 | 124.5° | 120.0° |
C17 | C20 | C21 | H21 | 120.0° | 120.0° |
C17 | C20 | C22 | H21 | 119.3° | 120.0° |
C17 | C20 | C22 | C23 | 158.1° | 175.0° |
C17 | C20 | C22 | H19 | 37.6° | 65.0° |
C17 | C20 | C22 | H20 | 81.4° | 55.0° |
C17 | C20 | C21 | H23 | 180.0° | 60.0° |
C17 | C20 | C21 | H24 | 60.0° | 180.0° |
C17 | C20 | C21 | H25 | 60.0° | 60.0° |
C20 | C17 | C16 | H30 | 29.4° | 117.9° |
C20 | C17 | C16 | H31 | 91.3° | 3.7° |
C21 | C20 | C22 | H21 | 115.6° | 120.0° |
C21 | C20 | C22 | C23 | 76.8° | 65.0° |
C21 | C20 | C22 | H19 | 162.7° | 55.0° |
C21 | C20 | C22 | H20 | 43.7° | 175.0° |
C21 | C20 | C17 | H22 | 56.2° | 60.7° |
C20 | C21 | H23 | H24 | 120.0° | 120.0° |
C20 | C21 | H23 | H25 | 120.0° | 120.0° |
C20 | C21 | H24 | H25 | 120.0° | 120.0° |
C20 | C22 | C23 | H19 | 120.5° | 119.9° |
C20 | C22 | C23 | H20 | 120.5° | 120.0° |
C20 | C22 | H19 | H20 | 118.5° | 119.9° |
C22 | C20 | C17 | H22 | 64.1° | 59.3° |
C22 | C20 | C21 | H23 | 55.6° | 179.9° |
C22 | C20 | C21 | H24 | 64.5° | 60.0° |
C22 | C20 | C21 | H25 | 175.5° | 60.0° |
C23 | C22 | H19 | H20 | 118.5° | 120.1° |
C23 | C22 | C20 | H21 | 38.8° | 55.0° |
H1 | C30 | C31 | H3 | 59.5° | 60.0° |
H2 | C30 | C31 | H3 | 60.4° | 60.0° |
H3 | C31 | C32 | H4 | 60.2° | 60.0° |
H3 | C31 | C32 | H5 | 59.7° | 60.0° |
H3 | C31 | C36 | H11 | 59.5° | 60.0° |
H3 | C31 | C36 | H12 | 60.5° | 60.0° |
H4 | C32 | C33 | H6 | 59.7° | 60.0° |
H5 | C32 | C33 | H6 | 60.2° | 60.0° |
H6 | C33 | C34 | H7 | 60.2° | 60.0° |
H6 | C33 | C34 | H8 | 59.4° | 59.9° |
H6 | C33 | C38 | H13 | 60.4° | 60.0° |
H6 | C33 | C38 | H14 | 59.5° | 60.0° |
H9 | C37 | C35 | H15 | 60.1° | 60.0° |
H10 | C37 | C35 | H15 | 59.6° | 60.0° |
H11 | C36 | C35 | H15 | 59.8° | 60.0° |
H12 | C36 | C35 | H15 | 60.2° | 60.0° |
H13 | C38 | C35 | H15 | 60.4° | 60.0° |
H14 | C38 | C35 | H15 | 59.5° | 60.0° |
H16 | C26 | C25 | H18 | 75.9° | 173.3° |
H17 | C26 | C25 | H18 | 167.2° | 66.6° |
H18 | C25 | O03 | H26 | 60.2° | 180.0° |
H19 | C22 | C20 | H21 | 81.7° | 175.0° |
H20 | C22 | C20 | H21 | 159.3° | 65.0° |
H21 | C20 | C17 | H22 | 176.4° | 179.3° |
H21 | C20 | C21 | H23 | 59.9° | 60.0° |
H21 | C20 | C21 | H24 | 180.0° | 60.0° |
H21 | C20 | C21 | H25 | 60.0° | 180.0° |
H22 | C17 | C16 | H30 | 146.4° | 4.2° |
H22 | C17 | C16 | H31 | 25.8° | 125.8° |
H23 | C21 | H24 | H25 | 120.0° | 120.0° |
H27 | C14 | C15 | H28 | 164.9° | 166.4° |
H27 | C14 | C15 | H29 | 42.8° | 43.0° |
H28 | C15 | C16 | H30 | 12.2° | 146.6° |
H28 | C15 | C16 | H31 | 132.9° | 25.0° |
H29 | C15 | C16 | H30 | 109.8° | 23.2° |
H29 | C15 | C16 | H31 | 10.8° | 98.4° |
H32 | C12 | C11 | H34 | 50.8° | 58.1° |
H32 | C12 | C11 | H35 | 170.1° | 60.7° |
H33 | C12 | C11 | H34 | 68.0° | 179.2° |
H33 | C12 | C11 | H35 | 51.2° | 60.3° |
H34 | C11 | C09 | H36 | 49.0° | 48.7° |
H34 | C11 | C09 | H37 | 70.1° | 168.1° |
H35 | C11 | C09 | H36 | 168.3° | 70.2° |
H35 | C11 | C09 | H37 | 49.2° | 49.3° |
H38 | C18 | H39 | H40 | 120.0° | 120.0° |
H41 | C07 | C06 | H42 | 153.3° | 174.9° |
H43 | C04 | C03 | H45 | 70.0° | 49.6° |
H44 | C04 | C03 | H45 | 48.3° | 70.8° |
H45 | C03 | O02 | H52 | 61.1° | 59.7° |
H46 | C01 | C10 | H47 | 166.0° | 49.5° |
H46 | C01 | C10 | H48 | 47.7° | 170.0° |
H46 | C01 | O01 | H51 | 61.3° | 60.5° |