8J3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C03 | sing | 1.43Å | 1.43Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.52Å | 1.46Å | |
| C01 | O01 | sing | 1.43Å | 1.44Å | |
| C01 | C10 | sing | 1.53Å | 1.53Å | |
| C04 | C39 | doub | 1.33Å | 1.30Å | |
| C04 | C05 | sing | 1.48Å | 1.46Å | |
| C10 | C05 | sing | 1.52Å | 1.48Å | |
| C05 | C06 | doub | 1.35Å | 1.35Å | |
| C06 | C07 | sing | 1.46Å | 1.46Å | |
| C07 | C08 | doub | 1.33Å | 1.34Å | |
| C08 | C09 | sing | 1.52Å | 1.49Å | |
| C08 | C14 | sing | 1.50Å | 1.49Å | |
| C18 | C13 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.55Å | 1.50Å | |
| C09 | C11 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.55Å | 1.50Å | |
| C38 | C33 | sing | 1.53Å | 1.51Å | |
| C38 | C35 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C13 | C17 | sing | 1.52Å | 1.52Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C34 | C29 | sing | 1.53Å | 1.53Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| O03 | C25 | sing | 1.43Å | 1.41Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C37 | C29 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | C25 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.47Å | 1.26Å | |
| C23 | C24 | trip | 1.17Å | 1.18Å | |
| C24 | C25 | sing | 1.47Å | 1.47Å | |
| C36 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| O02 | H21 | sing | 0.97Å | 0.95Å | |
| C39 | H22 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | 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) |
| O02 | C03 | C02 | 109.8° | 109.7° |
| O02 | C03 | C04 | 110.6° | 109.7° |
| O02 | C03 | H5 | 111.4° | 109.7° |
| C03 | O02 | H21 | 109.5° | 114.0° |
| C03 | C02 | C01 | 110.4° | 109.8° |
| C02 | C03 | C04 | 104.1° | 108.4° |
| C03 | C02 | H3 | 109.2° | 109.4° |
| C03 | C02 | H4 | 109.2° | 109.4° |
| C02 | C03 | H5 | 109.8° | 109.7° |
| C02 | C01 | O01 | 109.9° | 109.4° |
| C02 | C01 | C10 | 108.0° | 109.8° |
| C02 | C01 | H1 | 107.9° | 109.4° |
| C01 | C02 | H3 | 109.2° | 109.4° |
| C01 | C02 | H4 | 109.2° | 109.4° |
| C03 | C04 | C39 | 119.1° | 121.6° |
| C03 | C04 | C05 | 120.1° | 116.7° |
| C04 | C03 | H5 | 111.0° | 109.6° |
| O01 | C01 | C10 | 114.3° | 109.4° |
| O01 | C01 | H1 | 108.8° | 109.4° |
| C01 | O01 | H2 | 109.5° | 114.0° |
| C01 | C10 | C05 | 111.4° | 108.3° |
| C10 | C01 | H1 | 107.7° | 109.5° |
| C01 | C10 | H10 | 109.0° | 109.7° |
| C01 | C10 | H11 | 109.0° | 109.7° |
| C39 | C04 | C05 | 119.8° | 121.7° |
| C04 | C39 | H22 | 120.0° | 120.0° |
| C04 | C39 | H23 | 120.0° | 120.0° |
| C04 | C05 | C10 | 115.9° | 116.8° |
| C04 | C05 | C06 | 128.9° | 121.5° |
| C10 | C05 | C06 | 115.2° | 121.7° |
| C05 | C10 | H10 | 109.0° | 109.7° |
| C05 | C10 | H11 | 109.0° | 109.7° |
| C05 | C06 | C07 | 123.2° | 120.1° |
| C05 | C06 | H6 | 118.4° | 120.0° |
| C06 | C07 | C08 | 123.3° | 120.0° |
| C07 | C06 | H6 | 118.4° | 119.9° |
| C06 | C07 | H7 | 118.3° | 120.0° |
| C07 | C08 | C09 | 126.1° | 122.4° |
| C07 | C08 | C14 | 124.0° | 122.4° |
| C08 | C07 | H7 | 118.3° | 120.0° |
| C09 | C08 | C14 | 109.8° | 115.2° |
| C08 | C09 | C11 | 104.6° | 110.7° |
| C08 | C09 | H8 | 110.7° | 109.2° |
| C08 | C09 | H9 | 110.7° | 109.3° |
| C08 | C14 | C15 | 120.3° | 116.7° |
| C08 | C14 | C13 | 108.9° | 105.8° |
| C08 | C14 | H16 | 106.9° | 110.7° |
| C18 | C13 | C14 | 112.9° | 108.4° |
| C18 | C13 | C17 | 112.5° | 109.3° |
| C18 | C13 | C12 | 109.0° | 109.3° |
| C13 | C18 | H24 | 109.5° | 109.4° |
| C13 | C18 | H25 | 109.5° | 109.5° |
| C13 | C18 | H26 | 109.5° | 109.5° |
| C14 | C15 | C16 | 101.1° | 102.8° |
| C15 | C14 | C13 | 106.9° | 101.1° |
| C15 | C14 | H16 | 106.5° | 111.1° |
| C14 | C15 | H17 | 111.5° | 110.7° |
| C14 | C15 | H18 | 111.5° | 110.8° |
| C15 | C16 | C17 | 106.0° | 106.4° |
| C16 | C15 | H17 | 111.5° | 110.8° |
| C16 | C15 | H18 | 111.5° | 110.7° |
| C15 | C16 | H19 | 110.4° | 110.1° |
| C15 | C16 | H20 | 110.3° | 110.1° |
| C09 | C11 | C12 | 109.5° | 111.8° |
| C11 | C09 | H8 | 110.7° | 109.2° |
| C11 | C09 | H9 | 110.7° | 109.2° |
| C09 | C11 | H12 | 109.5° | 109.0° |
| C09 | C11 | H13 | 109.5° | 109.0° |
| C14 | C13 | C17 | 96.4° | 103.3° |
| C14 | C13 | C12 | 107.4° | 107.7° |
| C13 | C14 | H16 | 106.7° | 110.7° |
| C33 | C38 | C35 | 109.4° | 109.5° |
| C38 | C33 | C34 | 107.7° | 109.5° |
| C38 | C33 | C32 | 110.0° | 109.4° |
| C33 | C38 | H41 | 109.5° | 109.4° |
| C33 | C38 | H42 | 109.5° | 109.5° |
| C38 | C33 | H43 | 110.1° | 109.5° |
| C38 | C35 | C37 | 110.1° | 109.5° |
| C38 | C35 | C36 | 111.0° | 109.4° |
| C38 | C35 | H40 | 109.2° | 109.5° |
| C35 | C38 | H41 | 109.5° | 109.5° |
| C35 | C38 | H42 | 109.5° | 109.5° |
| C16 | C17 | C13 | 107.2° | 105.1° |
| C16 | C17 | C20 | 111.7° | 109.8° |
| C17 | C16 | H19 | 110.3° | 110.4° |
| C17 | C16 | H20 | 110.3° | 109.6° |
| C16 | C17 | H27 | 107.6° | 110.8° |
| C11 | C12 | C13 | 113.4° | 107.6° |
| C12 | C11 | H12 | 109.5° | 109.0° |
| C12 | C11 | H13 | 109.5° | 109.1° |
| C11 | C12 | H14 | 108.5° | 109.9° |
| C11 | C12 | H15 | 108.5° | 109.8° |
| C17 | C13 | C12 | 118.1° | 118.4° |
| C13 | C17 | C20 | 114.4° | 110.3° |
| C13 | C17 | H27 | 107.9° | 110.3° |
| C13 | C12 | H14 | 108.5° | 109.8° |
| C13 | C12 | H15 | 108.5° | 109.9° |
| C34 | C33 | C32 | 108.9° | 109.4° |
| C33 | C34 | C29 | 112.4° | 109.5° |
| C33 | C34 | H36 | 108.7° | 109.5° |
| C33 | C34 | H37 | 108.7° | 109.5° |
| C34 | C33 | H43 | 110.1° | 109.5° |
| C33 | C32 | C31 | 109.2° | 109.5° |
| C32 | C33 | H43 | 110.0° | 109.5° |
| C33 | C32 | H44 | 109.5° | 109.4° |
| C33 | C32 | H45 | 109.5° | 109.4° |
| C34 | C29 | C37 | 108.4° | 109.4° |
| C34 | C29 | C25 | 112.7° | 109.5° |
| C34 | C29 | C30 | 109.1° | 109.5° |
| C29 | C34 | H36 | 108.8° | 109.4° |
| C29 | C34 | H37 | 108.8° | 109.5° |
| C17 | C20 | C22 | 111.9° | 109.4° |
| C17 | C20 | C21 | 112.1° | 109.4° |
| C20 | C17 | H27 | 107.8° | 110.4° |
| C17 | C20 | H28 | 107.8° | 109.5° |
| O03 | C25 | C29 | 104.8° | 109.5° |
| O03 | C25 | C24 | 106.2° | 109.5° |
| O03 | C25 | H34 | 112.0° | 109.5° |
| C25 | O03 | H35 | 109.5° | 114.0° |
| C37 | C35 | C36 | 108.0° | 109.5° |
| C35 | C37 | C29 | 109.8° | 109.5° |
| C35 | C37 | H38 | 109.4° | 109.4° |
| C35 | C37 | H39 | 109.4° | 109.5° |
| C37 | C35 | H40 | 109.2° | 109.5° |
| C35 | C36 | C31 | 109.1° | 109.4° |
| C36 | C35 | H40 | 109.4° | 109.4° |
| C35 | C36 | H46 | 109.6° | 109.5° |
| C35 | C36 | H47 | 109.6° | 109.4° |
| C22 | C20 | C21 | 109.0° | 109.5° |
| C20 | C22 | C23 | 113.4° | 109.4° |
| C22 | C20 | H28 | 108.2° | 109.5° |
| C20 | C22 | H32 | 108.5° | 109.5° |
| C20 | C22 | H33 | 108.5° | 109.5° |
| C21 | C20 | H28 | 107.6° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.4° |
| C20 | C21 | H30 | 109.5° | 109.4° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C37 | C29 | C25 | 107.8° | 109.5° |
| C37 | C29 | C30 | 109.1° | 109.5° |
| C29 | C37 | H38 | 109.4° | 109.5° |
| C29 | C37 | H39 | 109.4° | 109.5° |
| C32 | C31 | C36 | 108.9° | 109.5° |
| C32 | C31 | C30 | 110.5° | 109.5° |
| C31 | C32 | H44 | 109.5° | 109.5° |
| C31 | C32 | H45 | 109.5° | 109.5° |
| C32 | C31 | H48 | 109.0° | 109.4° |
| C25 | C29 | C30 | 109.7° | 109.5° |
| C29 | C25 | C24 | 112.1° | 109.4° |
| C29 | C25 | H34 | 110.5° | 109.4° |
| C29 | C30 | C31 | 108.8° | 109.5° |
| C29 | C30 | H49 | 109.6° | 109.5° |
| C29 | C30 | H50 | 109.7° | 109.5° |
| C22 | C23 | C24 | 177.3° | 180.0° |
| C23 | C22 | H32 | 108.5° | 109.5° |
| C23 | C22 | H33 | 108.5° | 109.4° |
| C23 | C24 | C25 | 178.3° | 180.0° |
| C24 | C25 | H34 | 111.1° | 109.5° |
| C36 | C31 | C30 | 110.1° | 109.5° |
| C31 | C36 | H46 | 109.5° | 109.5° |
| C31 | C36 | H47 | 109.6° | 109.5° |
| C36 | C31 | H48 | 109.2° | 109.5° |
| C30 | C31 | H48 | 109.1° | 109.5° |
| C31 | C30 | H49 | 109.7° | 109.5° |
| C31 | C30 | H50 | 109.7° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.4° |
| H8 | C09 | H9 | 109.5° | 109.2° |
| H10 | C10 | H11 | 109.5° | 109.7° |
| H12 | C11 | H13 | 109.5° | 108.9° |
| H14 | C12 | H15 | 109.5° | 109.8° |
| H17 | C15 | H18 | 109.5° | 110.8° |
| H19 | C16 | H20 | 109.5° | 110.1° |
| H22 | C39 | H23 | 120.0° | 120.0° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.4° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H29 | C21 | H31 | 109.4° | 109.6° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.4° | 109.5° |
| H36 | C34 | H37 | 109.4° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.4° |
| H41 | C38 | H42 | 109.4° | 109.5° |
| H44 | C32 | H45 | 109.5° | 109.4° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C03 | C02 | C04 | 118.4° | 119.8° |
| O02 | C03 | C02 | H5 | 122.8° | 120.6° |
| O02 | C03 | C02 | C01 | 178.6° | 62.0° |
| O02 | C03 | C04 | H5 | 124.1° | 120.6° |
| O02 | C03 | C04 | C39 | 0.7° | 106.9° |
| O02 | C03 | C04 | C05 | 168.1° | 73.2° |
| O02 | C03 | C02 | H3 | 58.4° | 58.1° |
| O02 | C03 | C02 | H4 | 61.3° | 177.9° |
| C03 | C02 | C01 | H3 | 120.1° | 120.1° |
| C03 | C02 | C01 | H4 | 120.1° | 120.1° |
| C02 | C03 | C04 | H5 | 118.0° | 119.7° |
| C03 | C02 | C01 | O01 | 58.2° | 173.7° |
| C03 | C02 | C01 | C10 | 67.1° | 66.3° |
| C02 | C03 | C04 | C39 | 118.5° | 133.3° |
| C02 | C03 | C04 | C05 | 50.3° | 46.6° |
| C03 | C02 | C01 | H1 | 176.8° | 53.9° |
| C03 | C02 | H3 | H4 | 119.6° | 119.8° |
| C02 | C03 | O02 | H21 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 63.1° | 57.7° |
| C02 | C01 | O01 | C10 | 121.6° | 120.3° |
| C02 | C01 | O01 | H1 | 118.0° | 119.8° |
| C02 | C01 | C10 | H1 | 116.2° | 120.1° |
| C02 | C01 | C10 | C05 | 52.3° | 57.7° |
| C02 | C01 | O01 | H2 | 180.0° | 179.6° |
| C01 | C02 | H3 | H4 | 119.6° | 119.9° |
| C01 | C02 | C03 | H5 | 55.7° | 177.4° |
| C02 | C01 | C10 | H10 | 172.6° | 62.0° |
| C02 | C01 | C10 | H11 | 68.0° | 177.4° |
| C03 | C04 | C39 | C05 | 168.8° | 179.9° |
| C03 | C04 | C05 | C10 | 41.3° | 43.1° |
| C03 | C04 | C05 | C06 | 141.6° | 136.9° |
| C04 | C03 | C02 | H3 | 176.8° | 177.8° |
| C04 | C03 | C02 | H4 | 57.1° | 62.4° |
| C04 | C03 | O02 | H21 | 65.7° | 61.1° |
| C03 | C04 | C39 | H22 | 168.8° | 0.0° |
| C03 | C04 | C39 | H23 | 11.2° | 180.0° |
| O01 | C01 | C10 | H1 | 121.1° | 119.9° |
| O01 | C01 | C10 | C05 | 70.4° | 177.7° |
| O01 | C01 | C02 | H3 | 61.9° | 53.6° |
| O01 | C01 | C02 | H4 | 178.4° | 66.2° |
| O01 | C01 | C10 | H10 | 49.9° | 58.0° |
| O01 | C01 | C10 | H11 | 169.3° | 62.6° |
| C01 | C10 | C05 | C04 | 39.3° | 46.6° |
| C01 | C10 | C05 | H10 | 120.3° | 119.7° |
| C01 | C10 | C05 | H11 | 120.3° | 119.7° |
| C01 | C10 | C05 | C06 | 143.2° | 133.4° |
| C10 | C01 | O01 | H2 | 58.4° | 60.1° |
| C10 | C01 | C02 | H3 | 172.8° | 173.6° |
| C10 | C01 | C02 | H4 | 53.1° | 53.8° |
| C01 | C10 | H10 | H11 | 119.1° | 120.6° |
| C39 | C04 | C05 | C10 | 127.4° | 136.8° |
| C39 | C04 | C05 | C06 | 49.7° | 43.1° |
| C39 | C04 | C03 | H5 | 123.5° | 13.7° |
| C04 | C39 | H22 | H23 | 179.9° | 180.0° |
| C04 | C05 | C10 | C06 | 177.5° | 180.0° |
| C04 | C05 | C06 | C07 | 0.8° | 0.0° |
| C05 | C04 | C03 | H5 | 67.8° | 166.3° |
| C04 | C05 | C06 | H6 | 179.3° | 179.9° |
| C04 | C05 | C10 | H10 | 159.6° | 73.1° |
| C04 | C05 | C10 | H11 | 81.0° | 166.3° |
| C05 | C04 | C39 | H22 | 0.0° | 179.9° |
| C05 | C04 | C39 | H23 | 180.0° | 0.1° |
| C10 | C05 | C06 | C07 | 177.9° | 179.9° |
| C05 | C10 | C01 | H1 | 168.6° | 62.3° |
| C10 | C05 | C06 | H6 | 2.2° | 0.0° |
| C05 | C10 | H10 | H11 | 119.1° | 120.5° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 164.4° | 180.0° |
| C05 | C06 | C07 | H7 | 15.6° | 0.0° |
| C06 | C05 | C10 | H10 | 22.9° | 106.9° |
| C06 | C05 | C10 | H11 | 96.5° | 13.7° |
| C06 | C07 | C08 | H7 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.5° | 0.0° |
| C06 | C07 | C08 | C14 | 176.1° | 179.7° |
| C07 | C08 | C09 | C14 | 176.2° | 179.7° |
| C07 | C08 | C14 | C15 | 17.9° | 10.3° |
| C07 | C08 | C09 | C11 | 107.9° | 129.8° |
| C07 | C08 | C14 | C13 | 105.8° | 121.9° |
| C08 | C07 | C06 | H6 | 15.6° | 0.0° |
| C07 | C08 | C09 | H8 | 132.9° | 109.9° |
| C07 | C08 | C09 | H9 | 11.3° | 9.4° |
| C07 | C08 | C14 | H16 | 139.2° | 118.1° |
| C09 | C08 | C14 | C15 | 165.8° | 169.4° |
| C08 | C09 | C11 | H8 | 119.2° | 120.3° |
| C08 | C09 | C11 | H9 | 119.2° | 120.3° |
| C09 | C08 | C14 | C13 | 70.4° | 57.8° |
| C08 | C09 | C11 | C12 | 59.2° | 48.6° |
| C09 | C08 | C07 | H7 | 179.5° | 180.0° |
| C08 | C09 | H8 | H9 | 122.3° | 119.4° |
| C08 | C09 | C11 | H12 | 179.2° | 169.2° |
| C08 | C09 | C11 | H13 | 60.8° | 72.0° |
| C09 | C08 | C14 | H16 | 44.5° | 62.2° |
| C08 | C14 | C13 | C18 | 61.3° | 51.9° |
| C08 | C14 | C15 | C13 | 124.7° | 114.2° |
| C08 | C14 | C15 | H16 | 121.5° | 128.2° |
| C08 | C14 | C15 | C16 | 164.3° | 156.3° |
| C14 | C08 | C09 | C11 | 68.3° | 49.9° |
| C08 | C14 | C13 | H16 | 115.0° | 120.0° |
| C08 | C14 | C13 | C17 | 178.9° | 167.7° |
| C08 | C14 | C13 | C12 | 58.9° | 66.3° |
| C14 | C08 | C07 | H7 | 3.9° | 0.3° |
| C14 | C08 | C09 | H8 | 51.0° | 70.4° |
| C14 | C08 | C09 | H9 | 172.5° | 170.3° |
| C08 | C14 | C15 | H17 | 45.7° | 37.9° |
| C08 | C14 | C15 | H18 | 77.0° | 85.4° |
| C18 | C13 | C14 | C15 | 70.1° | 70.3° |
| C18 | C13 | C14 | C17 | 117.7° | 115.9° |
| C18 | C13 | C14 | C12 | 120.2° | 118.1° |
| C18 | C13 | C17 | C16 | 80.7° | 84.6° |
| C18 | C13 | C12 | C11 | 69.3° | 49.7° |
| C18 | C13 | C17 | C12 | 128.3° | 125.9° |
| C18 | C13 | C17 | C20 | 43.7° | 33.7° |
| C18 | C13 | C12 | H14 | 170.1° | 169.2° |
| C18 | C13 | C12 | H15 | 51.2° | 69.8° |
| C18 | C13 | C14 | H16 | 176.3° | 171.9° |
| C13 | C18 | H24 | H25 | 120.0° | 120.0° |
| C13 | C18 | H24 | H26 | 120.0° | 120.0° |
| C13 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C13 | C17 | H27 | 163.7° | 155.9° |
| C14 | C15 | C16 | H17 | 118.6° | 118.3° |
| C14 | C15 | C16 | H18 | 118.6° | 118.3° |
| C15 | C14 | C13 | H16 | 113.6° | 117.9° |
| C14 | C15 | C16 | C17 | 13.7° | 23.7° |
| C15 | C14 | C13 | C17 | 47.6° | 45.6° |
| C15 | C14 | C13 | C12 | 169.7° | 171.6° |
| C14 | C15 | H17 | H18 | 123.9° | 123.3° |
| C14 | C15 | C16 | H19 | 133.2° | 143.4° |
| C14 | C15 | C16 | H20 | 105.7° | 95.0° |
| C16 | C15 | C14 | C13 | 39.7° | 42.0° |
| C15 | C16 | C17 | H19 | 119.5° | 119.5° |
| C15 | C16 | C17 | H20 | 119.4° | 119.1° |
| C15 | C16 | C17 | C13 | 15.3° | 4.4° |
| C15 | C16 | C17 | C20 | 141.4° | 123.1° |
| C16 | C15 | C14 | H16 | 74.2° | 75.5° |
| C16 | C15 | H17 | H18 | 123.9° | 123.3° |
| C15 | C16 | H19 | H20 | 121.6° | 121.6° |
| C15 | C16 | C17 | H27 | 100.5° | 114.7° |
| C09 | C11 | C12 | H12 | 120.0° | 120.6° |
| C09 | C11 | C12 | H13 | 120.0° | 120.6° |
| C09 | C11 | C12 | C13 | 55.0° | 59.1° |
| C11 | C09 | H8 | H9 | 122.3° | 119.4° |
| C09 | C11 | H12 | H13 | 120.0° | 118.9° |
| C09 | C11 | C12 | H14 | 65.6° | 60.4° |
| C09 | C11 | C12 | H15 | 175.5° | 178.6° |
| C14 | C13 | C17 | C16 | 37.3° | 30.7° |
| C14 | C13 | C12 | C11 | 53.3° | 67.9° |
| C14 | C13 | C17 | C12 | 113.6° | 118.8° |
| C14 | C13 | C17 | C20 | 161.8° | 149.0° |
| C14 | C13 | C12 | H14 | 67.3° | 51.7° |
| C14 | C13 | C12 | H15 | 173.9° | 172.6° |
| C13 | C14 | C15 | H17 | 79.0° | 76.3° |
| C13 | C14 | C15 | H18 | 158.3° | 160.3° |
| C14 | C13 | C18 | H24 | 180.0° | 179.9° |
| C14 | C13 | C18 | H25 | 60.0° | 59.9° |
| C14 | C13 | C18 | H26 | 60.0° | 60.1° |
| C14 | C13 | C17 | H27 | 78.3° | 88.8° |
| C33 | C38 | C35 | H41 | 120.0° | 119.9° |
| C33 | C38 | C35 | H42 | 120.0° | 120.0° |
| C38 | C33 | C34 | C32 | 119.2° | 119.9° |
| C38 | C33 | C34 | H43 | 120.1° | 120.0° |
| C38 | C33 | C32 | H43 | 121.5° | 120.0° |
| C38 | C33 | C34 | C29 | 60.8° | 60.0° |
| C33 | C38 | C35 | C37 | 60.9° | 59.9° |
| C33 | C38 | C35 | C36 | 58.6° | 60.1° |
| C38 | C33 | C32 | C31 | 60.3° | 60.0° |
| C38 | C33 | C34 | H36 | 59.7° | 180.0° |
| C38 | C33 | C34 | H37 | 178.8° | 60.0° |
| C33 | C38 | C35 | H40 | 179.2° | 180.0° |
| C33 | C38 | H41 | H42 | 120.0° | 120.0° |
| C38 | C33 | C32 | H44 | 179.8° | 179.9° |
| C38 | C33 | C32 | H45 | 59.7° | 60.1° |
| C35 | C38 | C33 | C34 | 60.0° | 59.9° |
| C35 | C38 | C33 | C32 | 58.5° | 60.0° |
| C38 | C35 | C37 | C36 | 121.3° | 120.0° |
| C38 | C35 | C37 | H40 | 119.8° | 120.0° |
| C38 | C35 | C36 | H40 | 120.5° | 119.9° |
| C38 | C35 | C37 | C29 | 59.3° | 60.0° |
| C38 | C35 | C36 | C31 | 59.6° | 60.0° |
| C38 | C35 | C37 | H38 | 179.4° | 60.1° |
| C38 | C35 | C37 | H39 | 60.7° | 180.0° |
| C35 | C38 | H41 | H42 | 120.0° | 120.0° |
| C35 | C38 | C33 | H43 | 179.9° | 179.9° |
| C38 | C35 | C36 | H46 | 60.3° | 60.0° |
| C38 | C35 | C36 | H47 | 179.6° | 180.0° |
| C16 | C17 | C13 | C20 | 124.4° | 118.3° |
| C16 | C17 | C13 | H27 | 115.6° | 119.5° |
| C16 | C17 | C13 | C12 | 151.0° | 149.5° |
| C16 | C17 | C20 | H27 | 118.0° | 122.5° |
| C16 | C17 | C20 | C22 | 53.3° | 64.7° |
| C16 | C17 | C20 | C21 | 176.2° | 175.3° |
| C17 | C16 | C15 | H17 | 104.9° | 94.6° |
| C17 | C16 | C15 | H18 | 132.4° | 142.1° |
| C17 | C16 | H19 | H20 | 121.6° | 121.2° |
| C16 | C17 | C20 | H28 | 65.5° | 55.3° |
| C11 | C12 | C13 | C17 | 160.7° | 175.6° |
| C11 | C12 | C13 | H14 | 120.6° | 119.6° |
| C11 | C12 | C13 | H15 | 120.6° | 119.5° |
| C12 | C11 | C09 | H8 | 60.0° | 71.7° |
| C12 | C11 | C09 | H9 | 178.4° | 168.9° |
| C12 | C11 | H12 | H13 | 120.0° | 118.9° |
| C11 | C12 | H14 | H15 | 118.2° | 120.9° |
| C13 | C17 | C20 | H27 | 120.0° | 122.2° |
| C13 | C17 | C20 | C22 | 175.3° | 180.0° |
| C13 | C17 | C20 | C21 | 61.8° | 60.0° |
| C17 | C13 | C12 | H14 | 40.1° | 64.8° |
| C17 | C13 | C12 | H15 | 78.7° | 56.1° |
| C17 | C13 | C14 | H16 | 66.0° | 72.3° |
| C13 | C17 | C16 | H19 | 104.2° | 115.0° |
| C13 | C17 | C16 | H20 | 134.8° | 123.5° |
| C17 | C13 | C18 | H24 | 72.2° | 68.2° |
| C17 | C13 | C18 | H25 | 167.7° | 171.8° |
| C17 | C13 | C18 | H26 | 47.8° | 51.8° |
| C13 | C17 | C20 | H28 | 56.4° | 60.0° |
| C12 | C13 | C17 | C20 | 84.6° | 92.2° |
| C13 | C12 | C11 | H12 | 175.0° | 179.7° |
| C13 | C12 | C11 | H13 | 65.0° | 61.5° |
| C13 | C12 | H14 | H15 | 118.2° | 120.9° |
| C12 | C13 | C14 | H16 | 56.1° | 53.7° |
| C12 | C13 | C18 | H24 | 60.7° | 62.8° |
| C12 | C13 | C18 | H25 | 59.3° | 57.2° |
| C12 | C13 | C18 | H26 | 179.2° | 177.2° |
| C12 | C13 | C17 | H27 | 35.3° | 30.0° |
| C34 | C33 | C32 | H43 | 120.7° | 120.0° |
| C33 | C34 | C29 | H36 | 120.5° | 120.0° |
| C33 | C34 | C29 | H37 | 120.4° | 120.0° |
| C33 | C34 | C29 | C37 | 59.4° | 60.0° |
| C34 | C33 | C32 | C31 | 57.5° | 60.0° |
| C33 | C34 | C29 | C25 | 178.6° | NaN° |
| C33 | C34 | C29 | C30 | 59.3° | 60.0° |
| C33 | C34 | H36 | H37 | 118.6° | 120.0° |
| C34 | C33 | C38 | H41 | 179.9° | 60.0° |
| C34 | C33 | C38 | H42 | 60.0° | 180.0° |
| C34 | C33 | C32 | H44 | 62.4° | 60.1° |
| C34 | C33 | C32 | H45 | 177.5° | 180.0° |
| C32 | C33 | C34 | C29 | 58.4° | 59.9° |
| C33 | C32 | C31 | H44 | 119.9° | 120.0° |
| C33 | C32 | C31 | H45 | 120.0° | 120.0° |
| C33 | C32 | C31 | C36 | 60.8° | 60.0° |
| C33 | C32 | C31 | C30 | 60.2° | 60.0° |
| C32 | C33 | C34 | H36 | 178.9° | 60.0° |
| C32 | C33 | C34 | H37 | 62.0° | 180.0° |
| C32 | C33 | C38 | H41 | 61.6° | 180.0° |
| C32 | C33 | C38 | H42 | 178.5° | 60.1° |
| C33 | C32 | H44 | H45 | 120.1° | 119.9° |
| C33 | C32 | C31 | H48 | 179.9° | 180.0° |
| C34 | C29 | C25 | O03 | 66.2° | 180.0° |
| C34 | C29 | C37 | C35 | 57.2° | 60.0° |
| C34 | C29 | C37 | C25 | 122.3° | 120.0° |
| C34 | C29 | C37 | C30 | 118.7° | 120.0° |
| C34 | C29 | C25 | C30 | 121.8° | 120.0° |
| C34 | C29 | C25 | C24 | 48.5° | 59.9° |
| C34 | C29 | C30 | C31 | 58.7° | 60.0° |
| C34 | C29 | C25 | H34 | 173.0° | 60.0° |
| C29 | C34 | H36 | H37 | 118.7° | 120.0° |
| C34 | C29 | C37 | H38 | 177.2° | 60.0° |
| C34 | C29 | C37 | H39 | 62.8° | 180.0° |
| C29 | C34 | C33 | H43 | 179.1° | 180.0° |
| C34 | C29 | C30 | H49 | 178.6° | 180.0° |
| C34 | C29 | C30 | H50 | 61.2° | 60.0° |
| C17 | C20 | C22 | C21 | 124.6° | 120.0° |
| C17 | C20 | C22 | H28 | 118.6° | 120.0° |
| C17 | C20 | C21 | H28 | 118.3° | 120.0° |
| C17 | C20 | C22 | C23 | 165.8° | 175.0° |
| C20 | C17 | C16 | H19 | 21.9° | 3.6° |
| C20 | C17 | C16 | H20 | 99.2° | 117.8° |
| C17 | C20 | C21 | H29 | 180.0° | 60.1° |
| C17 | C20 | C21 | H30 | 60.0° | 180.0° |
| C17 | C20 | C21 | H31 | 60.0° | 60.0° |
| C17 | C20 | C22 | H32 | 45.2° | 55.0° |
| C17 | C20 | C22 | H33 | 73.6° | 65.0° |
| O03 | C25 | C29 | C37 | 53.4° | 60.0° |
| O03 | C25 | C29 | C24 | 114.7° | 120.0° |
| O03 | C25 | C29 | H34 | 120.8° | 120.0° |
| O03 | C25 | C29 | C30 | 172.0° | 60.0° |
| O03 | C25 | C24 | C23 | 82.5° | 22.2° |
| O03 | C25 | C24 | H34 | 122.0° | 120.1° |
| C37 | C35 | C36 | H40 | 118.7° | 120.0° |
| C35 | C37 | C29 | H38 | 120.1° | 120.0° |
| C35 | C37 | C29 | H39 | 120.0° | 120.0° |
| C35 | C37 | C29 | C25 | 179.5° | 180.0° |
| C35 | C37 | C29 | C30 | 61.5° | 60.0° |
| C37 | C35 | C36 | C31 | 61.1° | 60.0° |
| C35 | C37 | H38 | H39 | 119.8° | 119.9° |
| C37 | C35 | C38 | H41 | 179.1° | 60.0° |
| C37 | C35 | C38 | H42 | 59.1° | 180.0° |
| C37 | C35 | C36 | H46 | 178.9° | 180.0° |
| C37 | C35 | C36 | H47 | 58.8° | 60.0° |
| C36 | C35 | C37 | C29 | 62.0° | 60.0° |
| C35 | C36 | C31 | C32 | 60.3° | 60.0° |
| C35 | C36 | C31 | H46 | 119.9° | 120.0° |
| C35 | C36 | C31 | H47 | 120.0° | 119.9° |
| C35 | C36 | C31 | C30 | 61.1° | 60.0° |
| C36 | C35 | C37 | H38 | 58.1° | 179.9° |
| C36 | C35 | C37 | H39 | 178.0° | 60.0° |
| C36 | C35 | C38 | H41 | 61.5° | 180.0° |
| C36 | C35 | C38 | H42 | 178.5° | 60.0° |
| C35 | C36 | H46 | H47 | 120.2° | 120.0° |
| C35 | C36 | C31 | H48 | 179.1° | 180.0° |
| C22 | C20 | C21 | H28 | 117.2° | 120.0° |
| C20 | C22 | C23 | H32 | 120.6° | 120.0° |
| C20 | C22 | C23 | H33 | 120.6° | 120.0° |
| C20 | C22 | C23 | C24 | 24.8° | 172.8° |
| C22 | C20 | C17 | H27 | 64.7° | 57.8° |
| C22 | C20 | C21 | H29 | 55.5° | 180.0° |
| C22 | C20 | C21 | H30 | 64.5° | 60.1° |
| C22 | C20 | C21 | H31 | 175.5° | 59.9° |
| C20 | C22 | H32 | H33 | 118.2° | 120.1° |
| C21 | C20 | C22 | C23 | 69.6° | 65.0° |
| C21 | C20 | C17 | H27 | 58.2° | 62.2° |
| C20 | C21 | H29 | H30 | 120.0° | 119.9° |
| C20 | C21 | H29 | H31 | 120.0° | 120.1° |
| C20 | C21 | H30 | H31 | 120.0° | 120.0° |
| C21 | C20 | C22 | H32 | 169.8° | 175.0° |
| C21 | C20 | C22 | H33 | 51.0° | 54.9° |
| C37 | C29 | C25 | C30 | 118.6° | 120.0° |
| C37 | C29 | C25 | C24 | 168.1° | 60.0° |
| C37 | C29 | C30 | C31 | 59.5° | 60.0° |
| C37 | C29 | C25 | H34 | 67.5° | 179.9° |
| C37 | C29 | C34 | H36 | 61.1° | 180.0° |
| C37 | C29 | C34 | H37 | 179.8° | 60.0° |
| C29 | C37 | H38 | H39 | 119.8° | 120.0° |
| C29 | C37 | C35 | H40 | 179.2° | 180.0° |
| C37 | C29 | C30 | H49 | 60.4° | 60.0° |
| C37 | C29 | C30 | H50 | 179.4° | 180.0° |
| C32 | C31 | C30 | C29 | 60.6° | 60.0° |
| C32 | C31 | C36 | C30 | 121.3° | 120.0° |
| C32 | C31 | C36 | H48 | 118.9° | 120.0° |
| C32 | C31 | C30 | H48 | 119.8° | 120.0° |
| C31 | C32 | C33 | H43 | 178.3° | 180.0° |
| C31 | C32 | H44 | H45 | 120.1° | 120.0° |
| C32 | C31 | C36 | H46 | 59.7° | 60.0° |
| C32 | C31 | C36 | H47 | 179.8° | 179.9° |
| C32 | C31 | C30 | H49 | 179.5° | 180.0° |
| C32 | C31 | C30 | H50 | 59.3° | 60.0° |
| C29 | C25 | C24 | C23 | 31.3° | 142.2° |
| C29 | C25 | C24 | H34 | 124.1° | 119.9° |
| C25 | C29 | C30 | C31 | 177.3° | 180.0° |
| C29 | C25 | O03 | H35 | 180.0° | 60.1° |
| C25 | C29 | C34 | H36 | 58.1° | 60.0° |
| C25 | C29 | C34 | H37 | 61.0° | 60.0° |
| C25 | C29 | C37 | H38 | 60.5° | 60.0° |
| C25 | C29 | C37 | H39 | 59.4° | 60.0° |
| C25 | C29 | C30 | H49 | 57.4° | 60.0° |
| C25 | C29 | C30 | H50 | 62.8° | 60.0° |
| C30 | C29 | C25 | C24 | 73.3° | 180.0° |
| C29 | C30 | C31 | C36 | 59.7° | 60.0° |
| C29 | C30 | C31 | H49 | 119.9° | 120.0° |
| C29 | C30 | C31 | H50 | 119.9° | 120.0° |
| C30 | C29 | C25 | H34 | 51.2° | 60.1° |
| C30 | C29 | C34 | H36 | 179.7° | 60.0° |
| C30 | C29 | C34 | H37 | 61.2° | 180.0° |
| C30 | C29 | C37 | H38 | 58.6° | 180.0° |
| C30 | C29 | C37 | H39 | 178.5° | 60.0° |
| C29 | C30 | C31 | H48 | 179.6° | 179.9° |
| C29 | C30 | H49 | H50 | 120.3° | 120.0° |
| C22 | C23 | C24 | C25 | 38.8° | 90.6° |
| C23 | C22 | C20 | H28 | 47.2° | 55.0° |
| C23 | C22 | H32 | H33 | 118.2° | 120.0° |
| C24 | C23 | C22 | H32 | 145.3° | 52.8° |
| C24 | C23 | C22 | H33 | 95.8° | 67.2° |
| C23 | C24 | C25 | H34 | 155.5° | 97.9° |
| C24 | C25 | O03 | H35 | 61.2° | 59.9° |
| C36 | C31 | C30 | H48 | 119.8° | 120.0° |
| C31 | C36 | C35 | H40 | 179.9° | 180.0° |
| C36 | C31 | C32 | H44 | 179.2° | 180.0° |
| C36 | C31 | C32 | H45 | 59.1° | 60.0° |
| C31 | C36 | H46 | H47 | 120.2° | 120.0° |
| C36 | C31 | C30 | H49 | 60.1° | 60.0° |
| C36 | C31 | C30 | H50 | 179.6° | 180.0° |
| C30 | C31 | C32 | H44 | 59.7° | 60.0° |
| C30 | C31 | C32 | H45 | 179.8° | 180.0° |
| C30 | C31 | C36 | H46 | 179.0° | 180.0° |
| C30 | C31 | C36 | H47 | 58.9° | 59.9° |
| C31 | C30 | H49 | H50 | 120.4° | 120.0° |
| H1 | C01 | O01 | H2 | 62.0° | 59.8° |
| H1 | C01 | C02 | H3 | 56.7° | 66.2° |
| H1 | C01 | C02 | H4 | 63.1° | 174.0° |
| H1 | C01 | C10 | H10 | 71.2° | 177.9° |
| H1 | C01 | C10 | H11 | 48.3° | 57.3° |
| H3 | C02 | C03 | H5 | 64.4° | 62.5° |
| H4 | C02 | C03 | H5 | 175.9° | 57.3° |
| H5 | C03 | O02 | H21 | 58.2° | 59.5° |
| H6 | C06 | C07 | H7 | 164.4° | 180.0° |
| H8 | C09 | C11 | H12 | 60.0° | 48.9° |
| H8 | C09 | C11 | H13 | 180.0° | 167.7° |
| H9 | C09 | C11 | H12 | 61.6° | 70.5° |
| H9 | C09 | C11 | H13 | 58.4° | 48.3° |
| H12 | C11 | C12 | H14 | 54.4° | 60.1° |
| H12 | C11 | C12 | H15 | 64.5° | 60.8° |
| H13 | C11 | C12 | H14 | 174.4° | 178.9° |
| H13 | C11 | C12 | H15 | 55.5° | 58.0° |
| H16 | C14 | C15 | H17 | 167.2° | 166.1° |
| H16 | C14 | C15 | H18 | 44.5° | 42.8° |
| H17 | C15 | C16 | H19 | 14.5° | 25.1° |
| H17 | C15 | C16 | H20 | 135.7° | 146.7° |
| H18 | C15 | C16 | H19 | 108.2° | 98.3° |
| H18 | C15 | C16 | H20 | 12.9° | 23.3° |
| H19 | C16 | C17 | H27 | 140.1° | 125.9° |
| H20 | C16 | C17 | H27 | 19.0° | 4.4° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C17 | C20 | H28 | 176.4° | 177.8° |
| H28 | C20 | C21 | H29 | 61.6° | 59.9° |
| H28 | C20 | C21 | H30 | 178.4° | 59.9° |
| H28 | C20 | C21 | H31 | 58.3° | 179.9° |
| H28 | C20 | C22 | H32 | 73.4° | 65.0° |
| H28 | C20 | C22 | H33 | 167.8° | 174.9° |
| H29 | C21 | H30 | H31 | 120.0° | 120.1° |
| H34 | C25 | O03 | H35 | 60.2° | 180.0° |
| H36 | C34 | C33 | H43 | 60.4° | 60.0° |
| H37 | C34 | C33 | H43 | 58.6° | 60.0° |
| H38 | C37 | C35 | H40 | 60.8° | 59.9° |
| H39 | C37 | C35 | H40 | 59.2° | 60.0° |
| H40 | C35 | C38 | H41 | 59.2° | 60.1° |
| H40 | C35 | C38 | H42 | 60.8° | 59.9° |
| H40 | C35 | C36 | H46 | 60.2° | 60.0° |
| H40 | C35 | C36 | H47 | 59.9° | 60.1° |
| H41 | C38 | C33 | H43 | 59.9° | 60.0° |
| H42 | C38 | C33 | H43 | 60.1° | 60.0° |
| H43 | C33 | C32 | H44 | 58.3° | 59.9° |
| H43 | C33 | C32 | H45 | 61.8° | 60.0° |
| H44 | C32 | C31 | H48 | 60.2° | 59.9° |
| H45 | C32 | C31 | H48 | 59.9° | 60.0° |
| H46 | C36 | C31 | H48 | 59.2° | 60.0° |
| H47 | C36 | C31 | H48 | 60.9° | 60.1° |
| H48 | C31 | C30 | H49 | 59.7° | 60.0° |
| H48 | C31 | C30 | H50 | 60.5° | 59.9° |
