8J0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| O02 | C03 | sing | 1.43Å | 1.41Å | |
| C03 | C04 | sing | 1.52Å | 1.47Å | |
| C01 | O01 | sing | 1.43Å | 1.46Å | |
| C01 | C10 | sing | 1.53Å | 1.53Å | |
| C04 | C39 | doub | 1.33Å | 1.33Å | |
| C04 | C05 | sing | 1.48Å | 1.45Å | |
| C10 | C05 | sing | 1.52Å | 1.49Å | |
| C05 | C06 | doub | 1.35Å | 1.35Å | |
| C06 | C07 | sing | 1.46Å | 1.48Å | |
| C07 | C08 | doub | 1.33Å | 1.32Å | |
| C08 | C09 | sing | 1.52Å | 1.52Å | |
| C08 | C14 | sing | 1.50Å | 1.49Å | |
| C18 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.56Å | 1.50Å | |
| C09 | C11 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.55Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C38 | C33 | sing | 1.53Å | 1.51Å | |
| C38 | C35 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C13 | C17 | sing | 1.52Å | 1.55Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C34 | C29 | sing | 1.53Å | 1.50Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C20 | C22 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C37 | C29 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | C25 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.47Å | 1.49Å | |
| C25 | O03 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | trip | 1.17Å | 1.21Å | |
| C23 | C22 | sing | 1.47Å | 1.28Å | |
| C36 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| O02 | H3 | sing | 0.97Å | 0.95Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C39 | H5 | sing | 1.08Å | 1.08Å | |
| C39 | H6 | sing | 1.08Å | 1.08Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| O03 | H35 | sing | 0.97Å | 0.95Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 109.1° | 109.8° |
| C02 | C03 | O02 | 113.5° | 109.7° |
| C02 | C03 | C04 | 105.8° | 108.3° |
| C02 | C03 | H4 | 109.2° | 109.7° |
| C03 | C02 | H7 | 109.6° | 109.4° |
| C03 | C02 | H8 | 109.6° | 109.4° |
| C02 | C01 | O01 | 110.1° | 109.4° |
| C02 | C01 | C10 | 108.5° | 109.8° |
| C01 | C02 | H7 | 109.6° | 109.4° |
| C01 | C02 | H8 | 109.6° | 109.4° |
| C02 | C01 | H9 | 107.4° | 109.4° |
| O02 | C03 | C04 | 107.8° | 109.7° |
| C03 | O02 | H3 | 109.5° | 114.0° |
| O02 | C03 | H4 | 110.6° | 109.7° |
| C03 | C04 | C39 | 120.9° | 121.6° |
| C03 | C04 | C05 | 121.2° | 116.8° |
| C04 | C03 | H4 | 109.8° | 109.7° |
| O01 | C01 | C10 | 114.4° | 109.5° |
| O01 | C01 | H9 | 108.5° | 109.3° |
| C01 | O01 | H10 | 109.5° | 114.0° |
| C01 | C10 | C05 | 108.3° | 108.4° |
| C01 | C10 | H1 | 109.8° | 109.7° |
| C01 | C10 | H2 | 109.8° | 109.7° |
| C10 | C01 | H9 | 107.6° | 109.4° |
| C39 | C04 | C05 | 117.0° | 121.6° |
| C04 | C39 | H5 | 120.0° | 120.0° |
| C04 | C39 | H6 | 120.0° | 120.0° |
| C04 | C05 | C10 | 115.6° | 116.7° |
| C04 | C05 | C06 | 126.0° | 121.7° |
| C10 | C05 | C06 | 118.3° | 121.6° |
| C05 | C10 | H1 | 109.8° | 109.7° |
| C05 | C10 | H2 | 109.8° | 109.6° |
| C05 | C06 | C07 | 126.0° | 120.0° |
| C05 | C06 | H11 | 117.0° | 120.0° |
| C06 | C07 | C08 | 122.6° | 120.0° |
| C07 | C06 | H11 | 117.0° | 120.0° |
| C06 | C07 | H12 | 118.7° | 120.0° |
| C07 | C08 | C09 | 123.2° | 122.4° |
| C07 | C08 | C14 | 122.4° | 122.4° |
| C08 | C07 | H12 | 118.7° | 120.0° |
| C09 | C08 | C14 | 114.3° | 115.2° |
| C08 | C09 | C11 | 103.6° | 110.7° |
| C08 | C09 | H13 | 110.9° | 109.2° |
| C08 | C09 | H14 | 110.9° | 109.2° |
| C08 | C14 | C15 | 119.8° | 116.7° |
| C08 | C14 | C13 | 110.7° | 105.8° |
| C08 | C14 | H22 | 106.4° | 110.7° |
| C18 | C13 | C14 | 112.1° | 108.5° |
| C18 | C13 | C12 | 107.9° | 109.3° |
| C18 | C13 | C17 | 112.5° | 109.3° |
| C13 | C18 | H19 | 109.5° | 109.5° |
| C13 | C18 | H20 | 109.5° | 109.5° |
| C13 | C18 | H21 | 109.5° | 109.5° |
| C14 | C15 | C16 | 99.6° | 102.7° |
| C15 | C14 | C13 | 107.2° | 101.1° |
| C15 | C14 | H22 | 105.8° | 111.1° |
| C14 | C15 | H23 | 111.9° | 110.7° |
| C14 | C15 | H24 | 111.8° | 110.8° |
| C15 | C16 | C17 | 108.5° | 106.4° |
| C16 | C15 | H23 | 111.9° | 110.7° |
| C16 | C15 | H24 | 111.9° | 110.8° |
| C15 | C16 | H25 | 109.7° | 110.1° |
| C15 | C16 | H26 | 109.7° | 110.1° |
| C09 | C11 | C12 | 113.1° | 111.8° |
| C11 | C09 | H13 | 110.9° | 109.2° |
| C11 | C09 | H14 | 110.9° | 109.3° |
| C09 | C11 | H15 | 108.5° | 109.0° |
| C09 | C11 | H16 | 108.6° | 109.0° |
| C14 | C13 | C12 | 106.0° | 107.7° |
| C14 | C13 | C17 | 97.0° | 103.3° |
| C13 | C14 | H22 | 106.1° | 110.8° |
| C11 | C12 | C13 | 114.5° | 107.6° |
| C12 | C11 | H15 | 108.6° | 109.0° |
| C12 | C11 | H16 | 108.5° | 109.0° |
| C11 | C12 | H17 | 108.2° | 109.8° |
| C11 | C12 | H18 | 108.2° | 109.9° |
| C33 | C38 | C35 | 110.6° | 109.5° |
| C38 | C33 | C34 | 110.1° | 109.5° |
| C38 | C33 | C32 | 106.2° | 109.5° |
| C33 | C38 | H41 | 109.2° | 109.5° |
| C33 | C38 | H42 | 109.2° | 109.4° |
| C38 | C33 | H43 | 110.1° | 109.5° |
| C38 | C35 | C37 | 111.7° | 109.5° |
| C38 | C35 | C36 | 107.2° | 109.5° |
| C38 | C35 | H40 | 108.8° | 109.5° |
| C35 | C38 | H41 | 109.2° | 109.5° |
| C35 | C38 | H42 | 109.2° | 109.5° |
| C12 | C13 | C17 | 120.7° | 118.3° |
| C13 | C12 | H17 | 108.2° | 109.8° |
| C13 | C12 | H18 | 108.2° | 109.9° |
| C13 | C17 | C16 | 107.0° | 105.1° |
| C13 | C17 | C20 | 117.5° | 110.3° |
| C13 | C17 | H27 | 106.6° | 110.4° |
| C34 | C33 | C32 | 110.1° | 109.4° |
| C33 | C34 | C29 | 114.5° | 109.5° |
| C33 | C34 | H36 | 108.2° | 109.5° |
| C33 | C34 | H37 | 108.2° | 109.5° |
| C34 | C33 | H43 | 109.9° | 109.5° |
| C33 | C32 | C31 | 106.6° | 109.5° |
| C32 | C33 | H43 | 110.3° | 109.5° |
| C33 | C32 | H44 | 110.2° | 109.5° |
| C33 | C32 | H45 | 110.2° | 109.4° |
| C16 | C17 | C20 | 111.7° | 109.8° |
| C17 | C16 | H25 | 109.7° | 110.4° |
| C17 | C16 | H26 | 109.7° | 109.7° |
| C16 | C17 | H27 | 106.8° | 110.8° |
| C34 | C29 | C37 | 109.3° | 109.4° |
| C34 | C29 | C25 | 110.9° | 109.5° |
| C34 | C29 | C30 | 103.0° | 109.5° |
| C29 | C34 | H36 | 108.2° | 109.5° |
| C29 | C34 | H37 | 108.2° | 109.4° |
| C17 | C20 | C22 | 116.1° | 109.5° |
| C17 | C20 | C21 | 109.1° | 109.5° |
| C20 | C17 | H27 | 106.7° | 110.4° |
| C17 | C20 | H28 | 106.8° | 109.5° |
| C37 | C35 | C36 | 111.3° | 109.5° |
| C35 | C37 | C29 | 109.6° | 109.4° |
| C35 | C37 | H38 | 109.5° | 109.5° |
| C35 | C37 | H39 | 109.4° | 109.5° |
| C37 | C35 | H40 | 108.7° | 109.4° |
| C35 | C36 | C31 | 106.5° | 109.5° |
| C36 | C35 | H40 | 109.0° | 109.5° |
| C35 | C36 | H46 | 110.2° | 109.4° |
| C35 | C36 | H47 | 110.2° | 109.5° |
| C22 | C20 | C21 | 110.5° | 109.4° |
| C20 | C22 | C23 | 114.3° | 109.5° |
| C22 | C20 | H28 | 107.0° | 109.5° |
| C20 | C22 | H32 | 108.2° | 109.5° |
| C20 | C22 | H33 | 108.2° | 109.5° |
| C21 | C20 | H28 | 106.9° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.4° |
| C20 | C21 | H30 | 109.5° | 109.5° |
| C20 | C21 | H31 | 109.4° | 109.4° |
| C37 | C29 | C25 | 108.0° | 109.4° |
| C37 | C29 | C30 | 111.0° | 109.5° |
| C29 | C37 | H38 | 109.4° | 109.5° |
| C29 | C37 | H39 | 109.4° | 109.5° |
| C32 | C31 | C36 | 109.6° | 109.5° |
| C32 | C31 | C30 | 110.9° | 109.5° |
| C31 | C32 | H44 | 110.2° | 109.5° |
| C31 | C32 | H45 | 110.2° | 109.5° |
| C32 | C31 | H48 | 108.0° | 109.5° |
| C25 | C29 | C30 | 114.6° | 109.5° |
| C29 | C25 | C24 | 108.6° | 109.5° |
| C29 | C25 | O03 | 108.0° | 109.5° |
| C29 | C25 | H34 | 107.0° | 109.4° |
| C29 | C30 | C31 | 109.3° | 109.5° |
| C29 | C30 | H49 | 109.5° | 109.5° |
| C29 | C30 | H50 | 109.5° | 109.5° |
| C24 | C25 | O03 | 116.9° | 109.5° |
| C25 | C24 | C23 | 178.2° | 180.0° |
| C24 | C25 | H34 | 107.6° | 109.5° |
| O03 | C25 | H34 | 108.3° | 109.5° |
| C25 | O03 | H35 | 109.5° | 114.0° |
| C24 | C23 | C22 | 177.9° | 180.0° |
| C23 | C22 | H32 | 108.3° | 109.4° |
| C23 | C22 | H33 | 108.3° | 109.5° |
| C36 | C31 | C30 | 112.3° | 109.4° |
| C31 | C36 | H46 | 110.2° | 109.5° |
| C31 | C36 | H47 | 110.2° | 109.5° |
| C36 | C31 | H48 | 108.0° | 109.5° |
| C30 | C31 | H48 | 108.0° | 109.5° |
| C31 | C30 | H49 | 109.5° | 109.5° |
| C31 | C30 | H50 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H5 | C39 | H6 | 120.0° | 120.0° |
| H7 | C02 | H8 | 109.4° | 109.3° |
| H13 | C09 | H14 | 109.4° | 109.2° |
| H15 | C11 | H16 | 109.5° | 108.9° |
| H17 | C12 | H18 | 109.5° | 109.9° |
| H19 | C18 | H20 | 109.4° | 109.4° |
| H19 | C18 | H21 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H23 | C15 | H24 | 109.5° | 110.9° |
| H25 | C16 | H26 | 109.5° | 110.1° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H29 | C21 | H31 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.6° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H36 | C34 | H37 | 109.4° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H41 | C38 | H42 | 109.5° | 109.5° |
| H44 | C32 | H45 | 109.5° | 109.4° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | H7 | 119.9° | 120.1° |
| C03 | C02 | C01 | H8 | 120.0° | 120.1° |
| C02 | C03 | O02 | C04 | 116.8° | 118.9° |
| C02 | C03 | O02 | H4 | 123.2° | 120.5° |
| C02 | C03 | C04 | H4 | 117.7° | 119.7° |
| C03 | C02 | C01 | O01 | 57.3° | 173.6° |
| C03 | C02 | C01 | C10 | 68.7° | 66.2° |
| C02 | C03 | C04 | C39 | 121.3° | 133.4° |
| C02 | C03 | C04 | C05 | 47.2° | 46.6° |
| C02 | C03 | O02 | H3 | 180.0° | 178.9° |
| C03 | C02 | H7 | H8 | 120.2° | 119.8° |
| C03 | C02 | C01 | H9 | 175.3° | 53.9° |
| C01 | C02 | C03 | O02 | 176.6° | 62.1° |
| C01 | C02 | C03 | C04 | 58.7° | 57.7° |
| C02 | C01 | O01 | C10 | 122.6° | 120.4° |
| C02 | C01 | O01 | H9 | 117.3° | 119.8° |
| C02 | C01 | C10 | H9 | 116.0° | 120.1° |
| C02 | C01 | C10 | C05 | 58.0° | 57.7° |
| C02 | C01 | C10 | H1 | 177.9° | 62.1° |
| C02 | C01 | C10 | H2 | 61.8° | 177.4° |
| C01 | C02 | C03 | H4 | 59.4° | 177.4° |
| C01 | C02 | H7 | H8 | 120.2° | 119.8° |
| C02 | C01 | O01 | H10 | 180.0° | 180.0° |
| O02 | C03 | C04 | H4 | 120.6° | 120.6° |
| O02 | C03 | C04 | C39 | 0.4° | 106.9° |
| O02 | C03 | C04 | C05 | 168.9° | 73.1° |
| O02 | C03 | C02 | H7 | 63.4° | 177.8° |
| O02 | C03 | C02 | H8 | 56.7° | 58.1° |
| C03 | C04 | C39 | C05 | 169.0° | 179.9° |
| C03 | C04 | C05 | C10 | 41.9° | 43.1° |
| C03 | C04 | C05 | C06 | 140.3° | 136.9° |
| C04 | C03 | O02 | H3 | 63.2° | 60.0° |
| C03 | C04 | C39 | H5 | 169.0° | 0.0° |
| C03 | C04 | C39 | H6 | 11.1° | 180.0° |
| C04 | C03 | C02 | H7 | 178.6° | 62.5° |
| C04 | C03 | C02 | H8 | 61.3° | 177.8° |
| O01 | C01 | C10 | H9 | 120.6° | 119.8° |
| O01 | C01 | C10 | C05 | 65.4° | 177.8° |
| O01 | C01 | C10 | H1 | 54.4° | 58.0° |
| O01 | C01 | C10 | H2 | 174.8° | 62.5° |
| O01 | C01 | C02 | H7 | 62.6° | 66.2° |
| O01 | C01 | C02 | H8 | 177.3° | 53.5° |
| C01 | C10 | C05 | C04 | 44.4° | 46.6° |
| C01 | C10 | C05 | H1 | 119.8° | 119.8° |
| C01 | C10 | C05 | H2 | 119.8° | 119.7° |
| C01 | C10 | C05 | C06 | 137.7° | 133.4° |
| C01 | C10 | H1 | H2 | 120.5° | 120.5° |
| C10 | C01 | C02 | H7 | 171.4° | 53.9° |
| C10 | C01 | C02 | H8 | 51.3° | 173.6° |
| C10 | C01 | O01 | H10 | 57.4° | 59.7° |
| C39 | C04 | C05 | C10 | 127.0° | 137.0° |
| C39 | C04 | C05 | C06 | 50.8° | 43.1° |
| C39 | C04 | C03 | H4 | 121.0° | 13.7° |
| C04 | C39 | H5 | H6 | 180.0° | 180.0° |
| C04 | C05 | C10 | C06 | 178.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C10 | H1 | 164.2° | 73.2° |
| C04 | C05 | C10 | H2 | 75.5° | 166.4° |
| C05 | C04 | C03 | H4 | 70.5° | 166.3° |
| C05 | C04 | C39 | H5 | 0.0° | 180.0° |
| C05 | C04 | C39 | H6 | 180.0° | 0.0° |
| C04 | C05 | C06 | H11 | 180.0° | 180.0° |
| C10 | C05 | C06 | C07 | 177.8° | 180.0° |
| C05 | C10 | H1 | H2 | 120.5° | 120.5° |
| C05 | C10 | C01 | H9 | 174.0° | 62.4° |
| C10 | C05 | C06 | H11 | 2.2° | 0.0° |
| C05 | C06 | C07 | H11 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 158.4° | 180.0° |
| C06 | C05 | C10 | H1 | 17.8° | 106.9° |
| C06 | C05 | C10 | H2 | 102.5° | 13.6° |
| C05 | C06 | C07 | H12 | 21.6° | 0.1° |
| C06 | C07 | C08 | H12 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.0° | 0.1° |
| C06 | C07 | C08 | C14 | 176.8° | 179.7° |
| C07 | C08 | C09 | C14 | 177.0° | 179.7° |
| C07 | C08 | C14 | C15 | 15.8° | 10.3° |
| C07 | C08 | C09 | C11 | 116.1° | 129.8° |
| C07 | C08 | C14 | C13 | 109.8° | 121.9° |
| C08 | C07 | C06 | H11 | 21.7° | 0.1° |
| C07 | C08 | C09 | H13 | 124.8° | 109.9° |
| C07 | C08 | C09 | H14 | 3.0° | 9.4° |
| C07 | C08 | C14 | H22 | 135.4° | 118.1° |
| C09 | C08 | C14 | C15 | 167.2° | 169.4° |
| C08 | C09 | C11 | H13 | 119.1° | 120.3° |
| C08 | C09 | C11 | H14 | 119.1° | 120.3° |
| C09 | C08 | C14 | C13 | 67.2° | 57.9° |
| C08 | C09 | C11 | C12 | 52.9° | 48.6° |
| C09 | C08 | C07 | H12 | 180.0° | 180.0° |
| C08 | C09 | H13 | H14 | 122.7° | 119.3° |
| C08 | C09 | C11 | H15 | 173.4° | 169.2° |
| C08 | C09 | C11 | H16 | 67.7° | 72.0° |
| C09 | C08 | C14 | H22 | 47.6° | 62.2° |
| C08 | C14 | C13 | C18 | 60.1° | 51.8° |
| C08 | C14 | C15 | C13 | 127.2° | 114.2° |
| C08 | C14 | C15 | H22 | 119.9° | 128.2° |
| C08 | C14 | C15 | C16 | 168.5° | 156.2° |
| C14 | C08 | C09 | C11 | 60.9° | 49.9° |
| C08 | C14 | C13 | H22 | 115.0° | 120.0° |
| C08 | C14 | C13 | C12 | 57.4° | 66.3° |
| C08 | C14 | C13 | C17 | 177.9° | 167.8° |
| C14 | C08 | C07 | H12 | 3.2° | 0.3° |
| C14 | C08 | C09 | H13 | 58.2° | 70.4° |
| C14 | C08 | C09 | H14 | 180.0° | 170.3° |
| C08 | C14 | C15 | H23 | 50.1° | 38.0° |
| C08 | C14 | C15 | H24 | 73.2° | 85.4° |
| C18 | C13 | C14 | C15 | 72.3° | 70.3° |
| C18 | C13 | C14 | C12 | 117.5° | 118.2° |
| C18 | C13 | C14 | C17 | 117.8° | 115.9° |
| C18 | C13 | C12 | C11 | 67.6° | 49.7° |
| C18 | C13 | C12 | C17 | 131.2° | 125.9° |
| C18 | C13 | C17 | C16 | 85.4° | 84.6° |
| C18 | C13 | C17 | C20 | 41.0° | 33.6° |
| C18 | C13 | C12 | H17 | 171.7° | 169.2° |
| C18 | C13 | C12 | H18 | 53.2° | 69.8° |
| C13 | C18 | H19 | H20 | 120.0° | 120.0° |
| C13 | C18 | H19 | H21 | 120.0° | 120.0° |
| C13 | C18 | H20 | H21 | 120.0° | 120.0° |
| C18 | C13 | C14 | H22 | 175.1° | 171.9° |
| C18 | C13 | C17 | H27 | 160.6° | 155.9° |
| C14 | C15 | C16 | H23 | 118.4° | 118.2° |
| C14 | C15 | C16 | H24 | 118.3° | 118.3° |
| C15 | C14 | C13 | H22 | 112.7° | 117.8° |
| C15 | C14 | C13 | C12 | 170.2° | 171.6° |
| C15 | C14 | C13 | C17 | 45.5° | 45.7° |
| C14 | C15 | C16 | C17 | 18.6° | 23.7° |
| C14 | C15 | H23 | H24 | 124.6° | 123.3° |
| C14 | C15 | C16 | H25 | 138.4° | 143.3° |
| C14 | C15 | C16 | H26 | 101.3° | 95.1° |
| C16 | C15 | C14 | C13 | 41.3° | 42.0° |
| C15 | C16 | C17 | C13 | 8.6° | 4.5° |
| C15 | C16 | C17 | H25 | 119.8° | 119.4° |
| C15 | C16 | C17 | H26 | 119.8° | 119.0° |
| C15 | C16 | C17 | C20 | 138.4° | 123.1° |
| C16 | C15 | C14 | H22 | 71.6° | 75.6° |
| C16 | C15 | H23 | H24 | 124.6° | 123.4° |
| C15 | C16 | H25 | H26 | 120.4° | 121.5° |
| C15 | C16 | C17 | H27 | 105.2° | 114.7° |
| C09 | C11 | C12 | H15 | 120.5° | 120.6° |
| C09 | C11 | C12 | H16 | 120.6° | 120.6° |
| C09 | C11 | C12 | C13 | 54.3° | 59.0° |
| C11 | C09 | H13 | H14 | 122.7° | 119.4° |
| C09 | C11 | H15 | H16 | 118.3° | 118.8° |
| C09 | C11 | C12 | H17 | 66.4° | 60.4° |
| C09 | C11 | C12 | H18 | 175.1° | 178.7° |
| C14 | C13 | C12 | C11 | 52.7° | 67.9° |
| C14 | C13 | C12 | C17 | 108.5° | 116.4° |
| C14 | C13 | C17 | C16 | 32.0° | 30.7° |
| C14 | C13 | C17 | C20 | 158.5° | 149.0° |
| C14 | C13 | C12 | H17 | 68.0° | 51.5° |
| C14 | C13 | C12 | H18 | 173.5° | 172.5° |
| C14 | C13 | C18 | H19 | 180.0° | 57.8° |
| C14 | C13 | C18 | H20 | 60.0° | 62.2° |
| C14 | C13 | C18 | H21 | 60.0° | 177.8° |
| C13 | C14 | C15 | H23 | 77.1° | 76.2° |
| C13 | C14 | C15 | H24 | 159.7° | 160.4° |
| C14 | C13 | C17 | H27 | 82.0° | 88.8° |
| C11 | C12 | C13 | H17 | 120.7° | 119.4° |
| C11 | C12 | C13 | H18 | 120.8° | 119.6° |
| C11 | C12 | C13 | C17 | 161.2° | 175.7° |
| C12 | C11 | C09 | H13 | 66.2° | 71.7° |
| C12 | C11 | C09 | H14 | 171.9° | 168.9° |
| C12 | C11 | H15 | H16 | 118.3° | 118.9° |
| C11 | C12 | H17 | H18 | 117.7° | 120.9° |
| C33 | C38 | C35 | H41 | 120.1° | 120.0° |
| C33 | C38 | C35 | H42 | 120.2° | 120.0° |
| C38 | C33 | C34 | C32 | 116.8° | 120.0° |
| C38 | C33 | C34 | H43 | 121.5° | 120.0° |
| C38 | C33 | C32 | H43 | 119.3° | 120.0° |
| C38 | C33 | C34 | C29 | 54.7° | 60.0° |
| C33 | C38 | C35 | C37 | 57.6° | 60.0° |
| C33 | C38 | C35 | C36 | 64.6° | 60.0° |
| C38 | C33 | C32 | C31 | 63.8° | 60.0° |
| C38 | C33 | C34 | H36 | 66.0° | 180.0° |
| C38 | C33 | C34 | H37 | 175.5° | 60.0° |
| C33 | C38 | C35 | H40 | 177.6° | 180.0° |
| C33 | C38 | H41 | H42 | 119.5° | 120.0° |
| C38 | C33 | C32 | H44 | 176.7° | 180.0° |
| C38 | C33 | C32 | H45 | 55.8° | 60.0° |
| C35 | C38 | C33 | C34 | 53.6° | 60.0° |
| C35 | C38 | C33 | C32 | 65.6° | 60.0° |
| C38 | C35 | C37 | C36 | 119.8° | 120.1° |
| C38 | C35 | C37 | H40 | 120.1° | 120.0° |
| C38 | C35 | C36 | H40 | 117.7° | 120.0° |
| C38 | C35 | C37 | C29 | 58.6° | 60.1° |
| C38 | C35 | C36 | C31 | 61.1° | 60.0° |
| C38 | C35 | C37 | H38 | 178.7° | 60.0° |
| C38 | C35 | C37 | H39 | 61.4° | 180.0° |
| C35 | C38 | H41 | H42 | 119.5° | 120.0° |
| C35 | C38 | C33 | H43 | 175.0° | 180.0° |
| C38 | C35 | C36 | H46 | 58.5° | 60.0° |
| C38 | C35 | C36 | H47 | 179.4° | 180.0° |
| C12 | C13 | C17 | C16 | 145.3° | 149.5° |
| C12 | C13 | C17 | C20 | 88.2° | 92.3° |
| C13 | C12 | C11 | H15 | 174.8° | 179.6° |
| C13 | C12 | C11 | H16 | 66.2° | 61.6° |
| C13 | C12 | H17 | H18 | 117.7° | 121.0° |
| C12 | C13 | C18 | H19 | 63.6° | 59.3° |
| C12 | C13 | C18 | H20 | 56.4° | 179.3° |
| C12 | C13 | C18 | H21 | 176.4° | 60.7° |
| C12 | C13 | C14 | H22 | 57.6° | 53.7° |
| C12 | C13 | C17 | H27 | 31.3° | 30.0° |
| C13 | C17 | C16 | C20 | 129.8° | 118.6° |
| C13 | C17 | C16 | H27 | 113.9° | 119.2° |
| C13 | C17 | C20 | H27 | 119.5° | 122.2° |
| C13 | C17 | C20 | C22 | 174.0° | 180.0° |
| C13 | C17 | C20 | C21 | 60.5° | 60.1° |
| C17 | C13 | C12 | H17 | 40.5° | 64.9° |
| C17 | C13 | C12 | H18 | 78.0° | 56.1° |
| C17 | C13 | C18 | H19 | 72.0° | 169.8° |
| C17 | C13 | C18 | H20 | 168.0° | 49.8° |
| C17 | C13 | C18 | H21 | 48.0° | 70.2° |
| C17 | C13 | C14 | H22 | 67.2° | 72.2° |
| C13 | C17 | C16 | H25 | 111.2° | 114.9° |
| C13 | C17 | C16 | H26 | 128.5° | 123.5° |
| C13 | C17 | C20 | H28 | 54.8° | 60.0° |
| C34 | C33 | C32 | H43 | 121.5° | 120.0° |
| C33 | C34 | C29 | H36 | 120.7° | 120.0° |
| C33 | C34 | C29 | H37 | 120.8° | 120.0° |
| C33 | C34 | C29 | C37 | 56.0° | 60.0° |
| C34 | C33 | C32 | C31 | 55.4° | 60.0° |
| C33 | C34 | C29 | C25 | 174.9° | 180.0° |
| C33 | C34 | C29 | C30 | 62.1° | 60.0° |
| C33 | C34 | H36 | H37 | 117.7° | 120.0° |
| C34 | C33 | C38 | H41 | 173.7° | 60.0° |
| C34 | C33 | C38 | H42 | 66.6° | 180.0° |
| C34 | C33 | C32 | H44 | 64.1° | 60.1° |
| C34 | C33 | C32 | H45 | 175.0° | 180.0° |
| C32 | C33 | C34 | C29 | 62.0° | 60.0° |
| C33 | C32 | C31 | H44 | 119.5° | 120.0° |
| C33 | C32 | C31 | H45 | 119.5° | 120.0° |
| C33 | C32 | C31 | C36 | 65.2° | 60.0° |
| C33 | C32 | C31 | C30 | 59.3° | 60.0° |
| C32 | C33 | C34 | H36 | 177.2° | 60.0° |
| C32 | C33 | C34 | H37 | 58.7° | 179.9° |
| C32 | C33 | C38 | H41 | 54.5° | 180.0° |
| C32 | C33 | C38 | H42 | 174.2° | 60.0° |
| C33 | C32 | H44 | H45 | 121.3° | 119.9° |
| C33 | C32 | C31 | H48 | 177.5° | 180.0° |
| C16 | C17 | C20 | H27 | 116.4° | 122.5° |
| C16 | C17 | C20 | C22 | 49.9° | 64.7° |
| C16 | C17 | C20 | C21 | 175.4° | 175.4° |
| C17 | C16 | C15 | H23 | 99.8° | 94.6° |
| C17 | C16 | C15 | H24 | 136.9° | 142.0° |
| C17 | C16 | H25 | H26 | 120.5° | 121.3° |
| C16 | C17 | C20 | H28 | 69.4° | 55.3° |
| C34 | C29 | C37 | C35 | 56.3° | 60.0° |
| C34 | C29 | C37 | C25 | 120.7° | 120.0° |
| C34 | C29 | C37 | C30 | 112.9° | 120.0° |
| C34 | C29 | C25 | C30 | 116.0° | 120.0° |
| C34 | C29 | C25 | C24 | 56.9° | 60.0° |
| C34 | C29 | C25 | O03 | 175.3° | 60.0° |
| C34 | C29 | C30 | C31 | 62.0° | 60.0° |
| C34 | C29 | C25 | H34 | 59.0° | 180.0° |
| C29 | C34 | H36 | H37 | 117.7° | 120.0° |
| C34 | C29 | C37 | H38 | 176.3° | 60.0° |
| C34 | C29 | C37 | H39 | 63.8° | 180.0° |
| C29 | C34 | C33 | H43 | 176.3° | 180.0° |
| C34 | C29 | C30 | H49 | 178.0° | 180.0° |
| C34 | C29 | C30 | H50 | 58.0° | 60.0° |
| C17 | C20 | C22 | C21 | 124.8° | 120.0° |
| C17 | C20 | C22 | H28 | 119.1° | 120.0° |
| C17 | C20 | C21 | H28 | 115.1° | 120.0° |
| C17 | C20 | C22 | C23 | 160.6° | 175.0° |
| C20 | C17 | C16 | H25 | 18.6° | 3.7° |
| C20 | C17 | C16 | H26 | 101.7° | 117.9° |
| C17 | C20 | C21 | H29 | 180.0° | 60.0° |
| C17 | C20 | C21 | H30 | 60.0° | 180.0° |
| C17 | C20 | C21 | H31 | 60.0° | 59.9° |
| C17 | C20 | C22 | H32 | 39.9° | 55.0° |
| C17 | C20 | C22 | H33 | 78.7° | 65.0° |
| C37 | C35 | C36 | H40 | 119.9° | 119.9° |
| C35 | C37 | C29 | H38 | 120.0° | 120.0° |
| C35 | C37 | C29 | H39 | 120.0° | 120.0° |
| C35 | C37 | C29 | C25 | 177.0° | 180.0° |
| C35 | C37 | C29 | C30 | 56.7° | 60.0° |
| C37 | C35 | C36 | C31 | 61.3° | 60.0° |
| C35 | C37 | H38 | H39 | 120.0° | 120.0° |
| C37 | C35 | C38 | H41 | 177.7° | 60.0° |
| C37 | C35 | C38 | H42 | 62.6° | 180.0° |
| C37 | C35 | C36 | H46 | 179.1° | 180.0° |
| C37 | C35 | C36 | H47 | 58.2° | 60.0° |
| C36 | C35 | C37 | C29 | 61.2° | 60.0° |
| C35 | C36 | C31 | C32 | 63.5° | 60.0° |
| C35 | C36 | C31 | H46 | 119.5° | 120.0° |
| C35 | C36 | C31 | H47 | 119.5° | 120.0° |
| C35 | C36 | C31 | C30 | 60.2° | 60.0° |
| C36 | C35 | C37 | H38 | 58.8° | 180.0° |
| C36 | C35 | C37 | H39 | 178.8° | 60.0° |
| C36 | C35 | C38 | H41 | 55.5° | 180.0° |
| C36 | C35 | C38 | H42 | 175.2° | 60.0° |
| C35 | C36 | H46 | H47 | 121.4° | 120.0° |
| C35 | C36 | C31 | H48 | 179.2° | 180.0° |
| C22 | C20 | C21 | H28 | 116.2° | 120.0° |
| C20 | C22 | C23 | C24 | 21.8° | 13.5° |
| C20 | C22 | C23 | H32 | 120.7° | 120.0° |
| C20 | C22 | C23 | H33 | 120.7° | 120.0° |
| C22 | C20 | C17 | H27 | 66.5° | 57.8° |
| C22 | C20 | C21 | H29 | 51.3° | 180.0° |
| C22 | C20 | C21 | H30 | 68.7° | 60.0° |
| C22 | C20 | C21 | H31 | 171.3° | 60.0° |
| C20 | C22 | H32 | H33 | 117.8° | 120.0° |
| C21 | C20 | C22 | C23 | 74.5° | 65.0° |
| C21 | C20 | C17 | H27 | 59.0° | 62.2° |
| C20 | C21 | H29 | H30 | 120.0° | 120.0° |
| C20 | C21 | H29 | H31 | 120.0° | 119.9° |
| C20 | C21 | H30 | H31 | 120.0° | 120.0° |
| C21 | C20 | C22 | H32 | 164.7° | 175.0° |
| C21 | C20 | C22 | H33 | 46.1° | 55.0° |
| C37 | C29 | C25 | C30 | 124.2° | 120.0° |
| C37 | C29 | C25 | C24 | 176.7° | 60.0° |
| C37 | C29 | C25 | O03 | 55.6° | 180.0° |
| C37 | C29 | C30 | C31 | 54.9° | 60.0° |
| C37 | C29 | C25 | H34 | 60.8° | 60.1° |
| C37 | C29 | C34 | H36 | 64.8° | 180.0° |
| C37 | C29 | C34 | H37 | 176.7° | 60.0° |
| C29 | C37 | H38 | H39 | 119.9° | 120.0° |
| C29 | C37 | C35 | H40 | 178.7° | 179.9° |
| C37 | C29 | C30 | H49 | 65.1° | 60.1° |
| C37 | C29 | C30 | H50 | 174.9° | 180.0° |
| C32 | C31 | C30 | C29 | 65.2° | 60.0° |
| C32 | C31 | C36 | C30 | 123.7° | 120.0° |
| C32 | C31 | C36 | H48 | 117.3° | 120.0° |
| C32 | C31 | C30 | H48 | 118.1° | 120.0° |
| C31 | C32 | C33 | H43 | 176.9° | 180.0° |
| C31 | C32 | H44 | H45 | 121.4° | 120.0° |
| C32 | C31 | C36 | H46 | 56.1° | 60.0° |
| C32 | C31 | C36 | H47 | 177.0° | 180.0° |
| C32 | C31 | C30 | H49 | 174.9° | 180.0° |
| C32 | C31 | C30 | H50 | 54.8° | 60.1° |
| C29 | C25 | C24 | O03 | 122.5° | 120.0° |
| C29 | C25 | C24 | H34 | 115.5° | 120.0° |
| C29 | C25 | O03 | H34 | 115.5° | 120.0° |
| C29 | C25 | C24 | C23 | 4.9° | 168.6° |
| C25 | C29 | C30 | C31 | 177.5° | 180.0° |
| C29 | C25 | O03 | H35 | 180.0° | 60.0° |
| C25 | C29 | C34 | H36 | 54.2° | 60.0° |
| C25 | C29 | C34 | H37 | 64.3° | 60.0° |
| C25 | C29 | C37 | H38 | 63.0° | 60.0° |
| C25 | C29 | C37 | H39 | 57.0° | 60.0° |
| C25 | C29 | C30 | H49 | 57.6° | 59.9° |
| C25 | C29 | C30 | H50 | 62.5° | 60.0° |
| C30 | C29 | C25 | C24 | 59.1° | 180.0° |
| C30 | C29 | C25 | O03 | 68.7° | 60.0° |
| C29 | C30 | C31 | C36 | 57.7° | 60.0° |
| C29 | C30 | C31 | H49 | 119.9° | 120.0° |
| C29 | C30 | C31 | H50 | 120.0° | 120.0° |
| C30 | C29 | C25 | H34 | 175.0° | 60.0° |
| C30 | C29 | C34 | H36 | 177.2° | 60.0° |
| C30 | C29 | C34 | H37 | 58.7° | 180.0° |
| C30 | C29 | C37 | H38 | 63.4° | 180.0° |
| C30 | C29 | C37 | H39 | 176.7° | 60.0° |
| C29 | C30 | C31 | H48 | 176.7° | 180.0° |
| C29 | C30 | H49 | H50 | 120.1° | 120.0° |
| C24 | C25 | O03 | H34 | 121.7° | 120.1° |
| C25 | C24 | C23 | C22 | 56.1° | 144.9° |
| C24 | C25 | O03 | H35 | 57.2° | 60.0° |
| O03 | C25 | C24 | C23 | 117.6° | 48.6° |
| C24 | C23 | C22 | H32 | 98.9° | 133.5° |
| C24 | C23 | C22 | H33 | 142.5° | 106.5° |
| C23 | C24 | C25 | H34 | 120.4° | 71.4° |
| C23 | C22 | C20 | H28 | 41.6° | 55.0° |
| C23 | C22 | H32 | H33 | 117.8° | 120.0° |
| C36 | C31 | C30 | H48 | 118.9° | 120.0° |
| C31 | C36 | C35 | H40 | 178.7° | 180.0° |
| C36 | C31 | C32 | H44 | 175.3° | 180.0° |
| C36 | C31 | C32 | H45 | 54.3° | 60.0° |
| C31 | C36 | H46 | H47 | 121.4° | 120.0° |
| C36 | C31 | C30 | H49 | 62.2° | 60.0° |
| C36 | C31 | C30 | H50 | 177.7° | 180.0° |
| C30 | C31 | C32 | H44 | 60.2° | 60.1° |
| C30 | C31 | C32 | H45 | 178.8° | 180.0° |
| C30 | C31 | C36 | H46 | 179.8° | 180.0° |
| C30 | C31 | C36 | H47 | 59.3° | 60.0° |
| C31 | C30 | H49 | H50 | 120.1° | 119.9° |
| H1 | C10 | C01 | H9 | 66.2° | 177.8° |
| H2 | C10 | C01 | H9 | 54.2° | 57.3° |
| H3 | O02 | C03 | H4 | 56.8° | 60.6° |
| H4 | C03 | C02 | H7 | 60.5° | 57.2° |
| H4 | C03 | C02 | H8 | 179.4° | 62.5° |
| H7 | C02 | C01 | H9 | 55.3° | 174.0° |
| H8 | C02 | C01 | H9 | 64.8° | 66.3° |
| H9 | C01 | O01 | H10 | 62.7° | 60.2° |
| H11 | C06 | C07 | H12 | 158.3° | 180.0° |
| H13 | C09 | C11 | H15 | 54.3° | 48.9° |
| H13 | C09 | C11 | H16 | 173.2° | 167.7° |
| H14 | C09 | C11 | H15 | 67.5° | 70.5° |
| H14 | C09 | C11 | H16 | 51.4° | 48.3° |
| H15 | C11 | C12 | H17 | 54.1° | 60.2° |
| H15 | C11 | C12 | H18 | 64.4° | 60.7° |
| H16 | C11 | C12 | H17 | 173.0° | 179.0° |
| H16 | C11 | C12 | H18 | 54.5° | 58.1° |
| H19 | C18 | H20 | H21 | 120.0° | 119.9° |
| H22 | C14 | C15 | H23 | 170.0° | 166.2° |
| H22 | C14 | C15 | H24 | 46.8° | 42.8° |
| H23 | C15 | C16 | H25 | 20.0° | 25.1° |
| H23 | C15 | C16 | H26 | 140.3° | 146.7° |
| H24 | C15 | C16 | H25 | 103.3° | 98.3° |
| H24 | C15 | C16 | H26 | 17.1° | 23.2° |
| H25 | C16 | C17 | H27 | 134.9° | 125.9° |
| H26 | C16 | C17 | H27 | 14.6° | 4.3° |
| H27 | C17 | C20 | H28 | 174.3° | 177.8° |
| H28 | C20 | C21 | H29 | 64.9° | 60.0° |
| H28 | C20 | C21 | H30 | 175.1° | 60.0° |
| H28 | C20 | C21 | H31 | 55.1° | 180.0° |
| H28 | C20 | C22 | H32 | 79.2° | 65.0° |
| H28 | C20 | C22 | H33 | 162.2° | 175.0° |
| H29 | C21 | H30 | H31 | 120.0° | 120.1° |
| H34 | C25 | O03 | H35 | 64.5° | 179.9° |
| H36 | C34 | C33 | H43 | 55.5° | 60.0° |
| H37 | C34 | C33 | H43 | 63.0° | 60.1° |
| H38 | C37 | C35 | H40 | 61.3° | 60.0° |
| H39 | C37 | C35 | H40 | 58.7° | 60.0° |
| H40 | C35 | C38 | H41 | 62.3° | 60.0° |
| H40 | C35 | C38 | H42 | 57.4° | 60.0° |
| H40 | C35 | C36 | H46 | 59.2° | 60.1° |
| H40 | C35 | C36 | H47 | 61.7° | 59.9° |
| H41 | C38 | C33 | H43 | 64.9° | 60.0° |
| H42 | C38 | C33 | H43 | 54.8° | 60.0° |
| H43 | C33 | C32 | H44 | 57.4° | 59.9° |
| H43 | C33 | C32 | H45 | 63.5° | 60.0° |
| H44 | C32 | C31 | H48 | 57.9° | 60.0° |
| H45 | C32 | C31 | H48 | 63.0° | 60.0° |
| H46 | C36 | C31 | H48 | 61.3° | 60.0° |
| H47 | C36 | C31 | H48 | 59.7° | 60.0° |
| H48 | C31 | C30 | H49 | 56.7° | 60.0° |
| H48 | C31 | C30 | H50 | 63.3° | 60.0° |
