4PJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C24 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| O40 | C39 | sing | 1.36Å | 1.37Å | |
| C18 | C39 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C39 | C41 | sing | 1.39Å | 1.41Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C41 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| O37 | C36 | sing | 1.36Å | 1.36Å | |
| C38 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.51Å | 1.49Å | |
| C30 | C28 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C35 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C33 | O34 | sing | 1.36Å | 1.36Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | F06 | sing | 1.40Å | 1.36Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C02 | H20 | sing | 1.09Å | 1.10Å | |
| C02 | H21 | sing | 1.09Å | 1.10Å | |
| C03 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.08Å | 1.08Å | |
| C35 | H51 | sing | 1.08Å | 1.08Å | |
| C38 | H52 | sing | 1.08Å | 1.08Å | |
| C41 | H53 | sing | 1.08Å | 1.08Å | |
| O17 | H54 | sing | 0.97Å | 0.95Å | |
| O34 | H55 | sing | 0.97Å | 0.95Å | |
| O37 | H56 | sing | 0.97Å | 0.95Å | |
| O40 | H57 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 111.8° | 109.4° |
| C23 | C22 | H10 | 108.9° | 109.5° |
| C23 | C22 | H11 | 108.9° | 109.5° |
| C22 | C23 | H38 | 109.5° | 109.4° |
| C22 | C23 | H39 | 109.5° | 109.4° |
| C22 | C23 | H40 | 109.5° | 109.5° |
| C22 | C21 | C20 | 108.8° | 109.5° |
| C22 | C21 | H8 | 109.6° | 109.5° |
| C22 | C21 | H9 | 109.6° | 109.5° |
| C21 | C22 | H10 | 108.9° | 109.4° |
| C21 | C22 | H11 | 108.9° | 109.5° |
| C21 | C20 | C19 | 110.7° | 109.5° |
| C21 | C20 | H6 | 109.2° | 109.4° |
| C21 | C20 | H7 | 109.2° | 109.5° |
| C20 | C21 | H8 | 109.6° | 109.5° |
| C20 | C21 | H9 | 109.6° | 109.5° |
| C20 | C19 | C24 | 108.6° | 109.5° |
| C20 | C19 | C18 | 112.4° | 109.4° |
| C19 | C20 | H6 | 109.2° | 109.5° |
| C19 | C20 | H7 | 109.2° | 109.5° |
| C20 | C19 | H37 | 107.6° | 109.5° |
| C24 | C19 | C18 | 113.7° | 109.5° |
| C19 | C24 | C25 | 113.8° | 109.5° |
| C19 | C24 | H12 | 108.4° | 109.5° |
| C19 | C24 | H13 | 108.4° | 109.5° |
| C24 | C19 | H37 | 107.2° | 109.5° |
| C19 | C18 | C39 | 125.7° | 120.1° |
| C19 | C18 | C16 | 121.1° | 120.0° |
| C18 | C19 | H37 | 107.1° | 109.4° |
| C24 | C25 | C26 | 112.8° | 109.5° |
| C25 | C24 | H12 | 108.4° | 109.5° |
| C25 | C24 | H13 | 108.4° | 109.4° |
| C24 | C25 | H41 | 108.6° | 109.5° |
| C24 | C25 | H42 | 108.6° | 109.5° |
| O40 | C39 | C18 | 115.9° | 120.1° |
| O40 | C39 | C41 | 120.6° | 120.0° |
| C39 | O40 | H57 | 109.5° | 114.0° |
| C39 | C18 | C16 | 113.1° | 119.9° |
| C18 | C39 | C41 | 123.5° | 119.9° |
| C18 | C16 | O17 | 118.9° | 120.0° |
| C18 | C16 | C15 | 124.0° | 119.9° |
| C39 | C41 | C14 | 121.2° | 120.1° |
| C39 | C41 | H53 | 119.4° | 119.9° |
| O17 | C16 | C15 | 117.0° | 120.1° |
| C16 | O17 | H54 | 109.5° | 114.0° |
| C16 | C15 | C14 | 122.3° | 120.1° |
| C16 | C15 | H5 | 118.8° | 119.9° |
| C25 | C26 | C27 | 112.7° | 109.5° |
| C25 | C26 | H14 | 108.6° | 109.5° |
| C25 | C26 | H15 | 108.7° | 109.5° |
| C26 | C25 | H41 | 108.6° | 109.5° |
| C26 | C25 | H42 | 108.6° | 109.5° |
| C41 | C14 | C15 | 115.8° | 120.1° |
| C41 | C14 | C13 | 123.2° | 120.0° |
| C14 | C41 | H53 | 119.4° | 120.0° |
| C15 | C14 | C13 | 121.1° | 119.9° |
| C14 | C15 | H5 | 118.8° | 120.0° |
| C26 | C27 | C28 | 112.8° | 109.5° |
| C27 | C26 | H14 | 108.7° | 109.4° |
| C27 | C26 | H15 | 108.7° | 109.5° |
| C26 | C27 | H43 | 108.6° | 109.5° |
| C26 | C27 | H44 | 108.7° | 109.5° |
| C14 | C13 | C11 | 118.4° | 109.4° |
| C14 | C13 | H3 | 107.2° | 109.5° |
| C14 | C13 | H4 | 107.2° | 109.5° |
| O37 | C36 | C38 | 117.0° | 120.0° |
| O37 | C36 | C35 | 120.6° | 120.0° |
| C36 | O37 | H56 | 109.5° | 114.0° |
| C36 | C38 | C31 | 120.0° | 120.0° |
| C38 | C36 | C35 | 122.4° | 120.0° |
| C36 | C38 | H52 | 119.9° | 120.0° |
| C38 | C31 | C30 | 121.1° | 119.9° |
| C38 | C31 | C32 | 118.4° | 120.1° |
| C31 | C38 | H52 | 120.0° | 120.0° |
| C13 | C11 | C10 | 113.9° | 109.4° |
| C13 | C11 | C12 | 108.8° | 109.5° |
| C11 | C13 | H3 | 107.2° | 109.5° |
| C11 | C13 | H4 | 107.2° | 109.4° |
| C13 | C11 | H33 | 108.3° | 109.5° |
| C36 | C35 | C33 | 116.5° | 119.9° |
| C36 | C35 | H51 | 121.8° | 120.1° |
| C27 | C28 | C30 | 113.2° | 109.5° |
| C27 | C28 | C29 | 109.6° | 109.5° |
| C27 | C28 | H16 | 108.6° | 109.5° |
| C28 | C27 | H43 | 108.6° | 109.5° |
| C28 | C27 | H44 | 108.6° | 109.5° |
| C31 | C30 | C28 | 113.7° | 109.5° |
| C30 | C31 | C32 | 120.5° | 119.9° |
| C31 | C30 | H48 | 108.4° | 109.5° |
| C31 | C30 | H49 | 108.4° | 109.5° |
| C30 | C28 | C29 | 108.5° | 109.5° |
| C30 | C28 | H16 | 108.2° | 109.4° |
| C28 | C30 | H48 | 108.4° | 109.4° |
| C28 | C30 | H49 | 108.4° | 109.4° |
| C31 | C32 | C33 | 120.8° | 120.1° |
| C31 | C32 | H50 | 119.6° | 120.0° |
| C29 | C28 | H16 | 108.7° | 109.5° |
| C28 | C29 | H45 | 109.5° | 109.4° |
| C28 | C29 | H46 | 109.5° | 109.5° |
| C28 | C29 | H47 | 109.5° | 109.4° |
| C35 | C33 | C32 | 121.8° | 119.9° |
| C35 | C33 | O34 | 121.5° | 120.0° |
| C33 | C35 | H51 | 121.7° | 120.0° |
| C10 | C11 | C12 | 108.6° | 109.5° |
| C11 | C10 | C09 | 112.2° | 109.4° |
| C11 | C10 | H1 | 108.8° | 109.4° |
| C11 | C10 | H2 | 108.8° | 109.5° |
| C10 | C11 | H33 | 108.3° | 109.5° |
| C12 | C11 | H33 | 108.8° | 109.5° |
| C11 | C12 | H34 | 109.5° | 109.5° |
| C11 | C12 | H35 | 109.5° | 109.5° |
| C11 | C12 | H36 | 109.5° | 109.5° |
| C32 | C33 | O34 | 116.7° | 120.0° |
| C33 | C32 | H50 | 119.6° | 120.0° |
| C10 | C09 | C08 | 116.3° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.4° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C10 | C09 | H31 | 107.7° | 109.5° |
| C10 | C09 | H32 | 107.8° | 109.5° |
| C33 | O34 | H55 | 109.5° | 114.0° |
| C09 | C08 | C07 | 110.7° | 109.5° |
| C09 | C08 | H29 | 109.2° | 109.5° |
| C09 | C08 | H30 | 109.2° | 109.4° |
| C08 | C09 | H31 | 107.7° | 109.4° |
| C08 | C09 | H32 | 107.7° | 109.5° |
| C08 | C07 | C05 | 115.4° | 109.5° |
| C08 | C07 | H27 | 108.0° | 109.5° |
| C08 | C07 | H28 | 108.0° | 109.4° |
| C07 | C08 | H29 | 109.2° | 109.5° |
| C07 | C08 | H30 | 109.1° | 109.5° |
| C07 | C05 | C04 | 110.7° | 109.4° |
| C07 | C05 | F06 | 109.3° | 109.5° |
| C07 | C05 | H26 | 109.1° | 109.4° |
| C05 | C07 | H27 | 108.0° | 109.5° |
| C05 | C07 | H28 | 108.0° | 109.5° |
| C04 | C05 | F06 | 107.3° | 109.5° |
| C05 | C04 | C03 | 111.7° | 109.5° |
| C05 | C04 | H24 | 108.9° | 109.5° |
| C05 | C04 | H25 | 108.9° | 109.5° |
| C04 | C05 | H26 | 109.0° | 109.5° |
| F06 | C05 | H26 | 111.5° | 109.5° |
| C04 | C03 | C02 | 111.9° | 109.5° |
| C04 | C03 | H22 | 108.9° | 109.5° |
| C04 | C03 | H23 | 108.8° | 109.5° |
| C03 | C04 | H24 | 108.9° | 109.5° |
| C03 | C04 | H25 | 108.9° | 109.5° |
| C03 | C02 | C01 | 113.2° | 109.5° |
| C03 | C02 | H20 | 108.5° | 109.5° |
| C03 | C02 | H21 | 108.5° | 109.5° |
| C02 | C03 | H22 | 108.8° | 109.5° |
| C02 | C03 | H23 | 108.9° | 109.5° |
| C02 | C01 | H17 | 109.5° | 109.5° |
| C02 | C01 | H18 | 109.4° | 109.4° |
| C02 | C01 | H19 | 109.5° | 109.4° |
| C01 | C02 | H20 | 108.5° | 109.5° |
| C01 | C02 | H21 | 108.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H17 | C01 | H18 | 109.5° | 109.5° |
| H17 | C01 | H19 | 109.4° | 109.5° |
| H18 | C01 | H19 | 109.5° | 109.4° |
| H20 | C02 | H21 | 109.4° | 109.4° |
| H22 | C03 | H23 | 109.5° | 109.5° |
| H24 | C04 | H25 | 109.5° | 109.5° |
| H27 | C07 | H28 | 109.5° | 109.5° |
| H29 | C08 | H30 | 109.4° | 109.5° |
| H31 | C09 | H32 | 109.5° | 109.4° |
| H34 | C12 | H35 | 109.5° | 109.4° |
| H34 | C12 | H36 | 109.4° | 109.5° |
| H35 | C12 | H36 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H38 | C23 | H40 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.4° | 109.5° |
| H41 | C25 | H42 | 109.4° | 109.5° |
| H43 | C27 | H44 | 109.4° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H45 | C29 | H47 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H10 | 120.4° | 120.0° |
| C23 | C22 | C21 | H11 | 120.3° | 120.0° |
| C23 | C22 | C21 | C20 | 66.4° | 180.0° |
| C23 | C22 | C21 | H8 | 173.7° | 60.0° |
| C23 | C22 | C21 | H9 | 53.5° | 60.0° |
| C23 | C22 | H10 | H11 | 118.9° | 120.1° |
| C22 | C23 | H38 | H39 | 120.0° | 119.9° |
| C22 | C23 | H38 | H40 | 120.0° | 120.1° |
| C22 | C23 | H39 | H40 | 120.0° | 120.0° |
| C22 | C21 | C20 | H8 | 119.9° | 120.0° |
| C22 | C21 | C20 | H9 | 119.9° | 120.0° |
| C22 | C21 | C20 | C19 | 114.0° | 174.9° |
| C22 | C21 | C20 | H6 | 125.9° | 55.0° |
| C22 | C21 | C20 | H7 | 6.2° | 65.0° |
| C22 | C21 | H8 | H9 | 120.3° | 120.0° |
| C21 | C22 | H10 | H11 | 119.0° | 120.0° |
| C21 | C22 | C23 | H38 | 180.0° | 180.0° |
| C21 | C22 | C23 | H39 | 60.0° | 60.0° |
| C21 | C22 | C23 | H40 | 60.0° | 60.0° |
| C21 | C20 | C19 | H6 | 120.2° | 120.0° |
| C21 | C20 | C19 | H7 | 120.2° | 120.1° |
| C21 | C20 | C19 | C24 | 136.4° | 174.6° |
| C21 | C20 | C19 | C18 | 96.9° | 65.3° |
| C21 | C20 | H6 | H7 | 119.5° | 120.0° |
| C20 | C21 | H8 | H9 | 120.3° | 120.0° |
| C20 | C21 | C22 | H10 | 54.0° | 60.0° |
| C20 | C21 | C22 | H11 | 173.3° | 60.0° |
| C21 | C20 | C19 | H37 | 20.7° | 54.6° |
| C20 | C19 | C24 | C18 | 125.9° | 120.0° |
| C20 | C19 | C24 | H37 | 115.9° | 120.0° |
| C20 | C19 | C18 | H37 | 117.9° | 119.9° |
| C20 | C19 | C24 | C25 | 166.9° | 66.1° |
| C20 | C19 | C18 | C39 | 64.1° | 120.0° |
| C20 | C19 | C18 | C16 | 116.8° | 59.8° |
| C19 | C20 | H6 | H7 | 119.4° | 120.0° |
| C19 | C20 | C21 | H8 | 5.9° | 54.9° |
| C19 | C20 | C21 | H9 | 126.2° | 65.0° |
| C20 | C19 | C24 | H12 | 72.4° | 53.9° |
| C20 | C19 | C24 | H13 | 46.3° | 173.9° |
| C24 | C19 | C18 | H37 | 118.2° | 120.1° |
| C19 | C24 | C25 | H12 | 120.6° | 120.0° |
| C19 | C24 | C25 | H13 | 120.6° | 120.0° |
| C24 | C19 | C18 | C39 | 59.8° | 120.0° |
| C24 | C19 | C18 | C16 | 119.4° | 60.2° |
| C19 | C24 | C25 | C26 | 62.4° | 174.8° |
| C24 | C19 | C20 | H6 | 16.2° | 54.7° |
| C24 | C19 | C20 | H7 | 103.4° | 65.3° |
| C19 | C24 | H12 | H13 | 118.0° | 120.0° |
| C19 | C24 | C25 | H41 | 177.1° | 54.8° |
| C19 | C24 | C25 | H42 | 58.1° | 65.2° |
| C18 | C19 | C24 | C25 | 41.0° | 173.9° |
| C19 | C18 | C39 | O40 | 0.8° | 0.2° |
| C19 | C18 | C39 | C16 | 179.2° | 179.8° |
| C19 | C18 | C39 | C41 | 179.2° | 180.0° |
| C19 | C18 | C16 | O17 | 0.8° | 0.2° |
| C19 | C18 | C16 | C15 | 179.0° | 179.7° |
| C18 | C19 | C20 | H6 | 142.9° | 174.7° |
| C18 | C19 | C20 | H7 | 23.3° | 54.7° |
| C18 | C19 | C24 | H12 | 161.7° | 66.0° |
| C18 | C19 | C24 | H13 | 79.6° | 54.0° |
| C24 | C25 | C26 | H41 | 120.5° | 120.0° |
| C24 | C25 | C26 | H42 | 120.5° | 120.0° |
| C24 | C25 | C26 | C27 | 170.9° | NaN° |
| C25 | C24 | H12 | H13 | 118.0° | 119.9° |
| C24 | C25 | C26 | H14 | 68.7° | 60.0° |
| C24 | C25 | C26 | H15 | 50.4° | 60.0° |
| C25 | C24 | C19 | H37 | 77.1° | 53.9° |
| C24 | C25 | H41 | H42 | 118.5° | 120.0° |
| O40 | C39 | C18 | C41 | 179.9° | 179.7° |
| O40 | C39 | C18 | C16 | 179.9° | 180.0° |
| O40 | C39 | C41 | C14 | 179.9° | 179.7° |
| O40 | C39 | C41 | H53 | 0.1° | 0.2° |
| C39 | C18 | C16 | O17 | 179.9° | 180.0° |
| C39 | C18 | C16 | C15 | 0.2° | 0.1° |
| C18 | C39 | C41 | C14 | 0.1° | 0.5° |
| C39 | C18 | C19 | H37 | 178.0° | 0.1° |
| C18 | C39 | C41 | H53 | 179.9° | 180.0° |
| C18 | C39 | O40 | H57 | 180.0° | 90.0° |
| C16 | C18 | C39 | C41 | 0.0° | 0.2° |
| C18 | C16 | O17 | C15 | 179.9° | 179.9° |
| C18 | C16 | C15 | C14 | 0.6° | 0.1° |
| C18 | C16 | C15 | H5 | 179.4° | 179.7° |
| C16 | C18 | C19 | H37 | 1.2° | 179.7° |
| C18 | C16 | O17 | H54 | 180.0° | 90.1° |
| C39 | C41 | C14 | H53 | 180.0° | 179.5° |
| C39 | C41 | C14 | C15 | 0.4° | 0.6° |
| C39 | C41 | C14 | C13 | 179.9° | 179.5° |
| C41 | C39 | O40 | H57 | 0.1° | 89.8° |
| O17 | C16 | C15 | C14 | 179.6° | 180.0° |
| O17 | C16 | C15 | H5 | 0.4° | 0.2° |
| C16 | C15 | C14 | C41 | 0.6° | 0.3° |
| C16 | C15 | C14 | H5 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 179.7° | 179.8° |
| C15 | C16 | O17 | H54 | 0.2° | 90.0° |
| C25 | C26 | C27 | H14 | 120.4° | 120.0° |
| C25 | C26 | C27 | H15 | 120.5° | 120.0° |
| C25 | C26 | C27 | C28 | 150.6° | 180.0° |
| C26 | C25 | C24 | H12 | 58.3° | 65.2° |
| C26 | C25 | C24 | H13 | 177.0° | 54.8° |
| C25 | C26 | H14 | H15 | 118.6° | 120.0° |
| C26 | C25 | H41 | H42 | 118.4° | 120.0° |
| C25 | C26 | C27 | H43 | 88.9° | 60.0° |
| C25 | C26 | C27 | H44 | 30.1° | 60.0° |
| C41 | C14 | C15 | C13 | 179.6° | 180.0° |
| C41 | C14 | C13 | C11 | 69.8° | 90.0° |
| C41 | C14 | C13 | H3 | 51.5° | 150.0° |
| C41 | C14 | C13 | H4 | 168.9° | 29.9° |
| C41 | C14 | C15 | H5 | 179.4° | 180.0° |
| C15 | C14 | C13 | C11 | 109.8° | 90.0° |
| C15 | C14 | C13 | H3 | 128.9° | 30.0° |
| C15 | C14 | C13 | H4 | 11.5° | 150.0° |
| C15 | C14 | C41 | H53 | 179.6° | 180.0° |
| C26 | C27 | C28 | H43 | 120.5° | 120.0° |
| C26 | C27 | C28 | H44 | 120.5° | 120.0° |
| C26 | C27 | C28 | C30 | 63.1° | 175.0° |
| C26 | C27 | C28 | C29 | 175.6° | 65.0° |
| C27 | C26 | H14 | H15 | 118.5° | 120.0° |
| C26 | C27 | C28 | H16 | 57.0° | 55.0° |
| C27 | C26 | C25 | H41 | 50.3° | 60.0° |
| C27 | C26 | C25 | H42 | 68.6° | 60.0° |
| C26 | C27 | H43 | H44 | 118.5° | 120.0° |
| C14 | C13 | C11 | H3 | 121.3° | 120.0° |
| C14 | C13 | C11 | H4 | 121.3° | 120.0° |
| C14 | C13 | C11 | C10 | 48.8° | 175.0° |
| C14 | C13 | C11 | C12 | 170.2° | 65.0° |
| C14 | C13 | H3 | H4 | 115.9° | 120.0° |
| C13 | C14 | C15 | H5 | 0.3° | 0.0° |
| C14 | C13 | C11 | H33 | 71.7° | 55.0° |
| C13 | C14 | C41 | H53 | 0.0° | 0.0° |
| O37 | C36 | C38 | C35 | 179.9° | 179.8° |
| O37 | C36 | C38 | C31 | 179.5° | 179.7° |
| O37 | C36 | C35 | C33 | 179.9° | 180.0° |
| O37 | C36 | C35 | H51 | 0.0° | 0.0° |
| O37 | C36 | C38 | H52 | 0.5° | 0.2° |
| C36 | C38 | C31 | H52 | 180.0° | 179.5° |
| C36 | C38 | C31 | C30 | 179.1° | 179.8° |
| C36 | C38 | C31 | C32 | 1.0° | 0.6° |
| C38 | C36 | C35 | C33 | 0.1° | 0.3° |
| C38 | C36 | C35 | H51 | 179.9° | 179.8° |
| C38 | C36 | O37 | H56 | 180.0° | 89.7° |
| C31 | C38 | C36 | C35 | 0.4° | 0.5° |
| C38 | C31 | C30 | C32 | 178.0° | 179.7° |
| C38 | C31 | C30 | C28 | 87.3° | 90.3° |
| C38 | C31 | C32 | C33 | 1.1° | 0.3° |
| C38 | C31 | C30 | H48 | 152.1° | 149.8° |
| C38 | C31 | C30 | H49 | 33.3° | 29.7° |
| C38 | C31 | C32 | H50 | 178.9° | 179.7° |
| C13 | C11 | C10 | C12 | 121.4° | 120.0° |
| C13 | C11 | C10 | H33 | 120.6° | 120.0° |
| C13 | C11 | C12 | H33 | 117.8° | 120.0° |
| C13 | C11 | C10 | C09 | 129.0° | 175.0° |
| C13 | C11 | C10 | H1 | 110.6° | 55.0° |
| C13 | C11 | C10 | H2 | 8.5° | 65.0° |
| C11 | C13 | H3 | H4 | 115.9° | 120.0° |
| C13 | C11 | C12 | H34 | 180.0° | 60.0° |
| C13 | C11 | C12 | H35 | 60.0° | 180.0° |
| C13 | C11 | C12 | H36 | 60.0° | 60.0° |
| C36 | C35 | C33 | H51 | 180.0° | 180.0° |
| C36 | C35 | C33 | C32 | 0.1° | 0.0° |
| C36 | C35 | C33 | O34 | 179.9° | 179.9° |
| C35 | C36 | C38 | H52 | 179.6° | 180.0° |
| C35 | C36 | O37 | H56 | 0.0° | 90.0° |
| C27 | C28 | C30 | C31 | 151.1° | 175.0° |
| C27 | C28 | C30 | C29 | 121.8° | 120.1° |
| C27 | C28 | C30 | H16 | 120.4° | 120.0° |
| C27 | C28 | C29 | H16 | 118.5° | 120.0° |
| C28 | C27 | C26 | H14 | 30.2° | 60.0° |
| C28 | C27 | C26 | H15 | 88.9° | 60.0° |
| C28 | C27 | H43 | H44 | 118.4° | 120.0° |
| C27 | C28 | C29 | H45 | 180.0° | 60.0° |
| C27 | C28 | C29 | H46 | 60.0° | 180.0° |
| C27 | C28 | C29 | H47 | 60.0° | 60.0° |
| C27 | C28 | C30 | H48 | 88.3° | 55.0° |
| C27 | C28 | C30 | H49 | 30.4° | 65.0° |
| C31 | C30 | C28 | H48 | 120.6° | 120.0° |
| C31 | C30 | C28 | H49 | 120.6° | 120.0° |
| C31 | C30 | C28 | C29 | 87.1° | 65.0° |
| C30 | C31 | C32 | C33 | 179.2° | 180.0° |
| C31 | C30 | C28 | H16 | 30.7° | 55.0° |
| C31 | C30 | H48 | H49 | 118.1° | 120.1° |
| C30 | C31 | C32 | H50 | 0.8° | 0.0° |
| C30 | C31 | C38 | H52 | 0.9° | 0.2° |
| C28 | C30 | C31 | C32 | 90.7° | 90.0° |
| C30 | C28 | C29 | H16 | 117.5° | 120.0° |
| C30 | C28 | C27 | H43 | 57.4° | 55.0° |
| C30 | C28 | C27 | H44 | 176.3° | 65.0° |
| C30 | C28 | C29 | H45 | 56.0° | 180.0° |
| C30 | C28 | C29 | H46 | 64.0° | 60.0° |
| C30 | C28 | C29 | H47 | 176.0° | 60.0° |
| C28 | C30 | H48 | H49 | 118.1° | 120.0° |
| C31 | C32 | C33 | C35 | 0.5° | 0.0° |
| C31 | C32 | C33 | H50 | 180.0° | 180.0° |
| C31 | C32 | C33 | O34 | 179.3° | 179.9° |
| C32 | C31 | C30 | H48 | 29.9° | 29.9° |
| C32 | C31 | C30 | H49 | 148.6° | 150.0° |
| C32 | C31 | C38 | H52 | 179.0° | 179.9° |
| C29 | C28 | C27 | H43 | 63.9° | 175.0° |
| C29 | C28 | C27 | H44 | 55.1° | 55.0° |
| C28 | C29 | H45 | H46 | 120.0° | 120.0° |
| C28 | C29 | H45 | H47 | 120.0° | 119.9° |
| C28 | C29 | H46 | H47 | 120.0° | 120.0° |
| C29 | C28 | C30 | H48 | 33.5° | 175.0° |
| C29 | C28 | C30 | H49 | 152.3° | 55.0° |
| C35 | C33 | C32 | O34 | 179.9° | 180.0° |
| C35 | C33 | C32 | H50 | 179.5° | 180.0° |
| C35 | C33 | O34 | H55 | 180.0° | 90.0° |
| C10 | C11 | C12 | H33 | 117.6° | 120.0° |
| C11 | C10 | C09 | H1 | 120.4° | 119.9° |
| C11 | C10 | C09 | H2 | 120.4° | 120.0° |
| C11 | C10 | C09 | C08 | 168.8° | 180.0° |
| C11 | C10 | H1 | H2 | 118.7° | 120.0° |
| C10 | C11 | C13 | H3 | 170.1° | 55.0° |
| C10 | C11 | C13 | H4 | 72.4° | 65.0° |
| C11 | C10 | C09 | H31 | 70.2° | 60.0° |
| C11 | C10 | C09 | H32 | 47.8° | 60.0° |
| C10 | C11 | C12 | H34 | 55.5° | 59.9° |
| C10 | C11 | C12 | H35 | 175.5° | 60.0° |
| C10 | C11 | C12 | H36 | 64.5° | 180.0° |
| C12 | C11 | C10 | C09 | 109.6° | 65.0° |
| C12 | C11 | C10 | H1 | 10.8° | 175.0° |
| C12 | C11 | C10 | H2 | 130.0° | 55.0° |
| C12 | C11 | C13 | H3 | 68.6° | 175.0° |
| C12 | C11 | C13 | H4 | 48.9° | 55.0° |
| C11 | C12 | H34 | H35 | 120.0° | 120.0° |
| C11 | C12 | H34 | H36 | 120.0° | 120.0° |
| C11 | C12 | H35 | H36 | 120.0° | 120.0° |
| C32 | C33 | C35 | H51 | 179.9° | 180.0° |
| C32 | C33 | O34 | H55 | 0.2° | 90.0° |
| C10 | C09 | C08 | H31 | 121.0° | 120.0° |
| C10 | C09 | C08 | H32 | 121.0° | 120.0° |
| C10 | C09 | C08 | C07 | 176.4° | 180.0° |
| C09 | C10 | H1 | H2 | 118.7° | 120.0° |
| C10 | C09 | C08 | H29 | 63.4° | 60.0° |
| C10 | C09 | C08 | H30 | 56.2° | 60.0° |
| C10 | C09 | H31 | H32 | 116.9° | 120.0° |
| C09 | C10 | C11 | H33 | 8.4° | 55.0° |
| O34 | C33 | C32 | H50 | 0.7° | 0.0° |
| O34 | C33 | C35 | H51 | 0.1° | 0.0° |
| C09 | C08 | C07 | H29 | 120.2° | 120.0° |
| C09 | C08 | C07 | H30 | 120.2° | 120.0° |
| C09 | C08 | C07 | C05 | 169.6° | 180.0° |
| C08 | C09 | C10 | H1 | 48.4° | 60.0° |
| C08 | C09 | C10 | H2 | 70.7° | 60.0° |
| C09 | C08 | C07 | H27 | 69.6° | 60.0° |
| C09 | C08 | C07 | H28 | 48.7° | 60.0° |
| C09 | C08 | H29 | H30 | 119.5° | 120.0° |
| C08 | C09 | H31 | H32 | 116.9° | 120.0° |
| C08 | C07 | C05 | H27 | 120.8° | 120.0° |
| C08 | C07 | C05 | H28 | 120.9° | 120.0° |
| C08 | C07 | C05 | C04 | 178.5° | 175.0° |
| C08 | C07 | C05 | F06 | 63.6° | 65.0° |
| C08 | C07 | C05 | H26 | 58.5° | 55.0° |
| C08 | C07 | H27 | H28 | 117.4° | 119.9° |
| C07 | C08 | H29 | H30 | 119.4° | 120.0° |
| C07 | C08 | C09 | H31 | 55.4° | 60.0° |
| C07 | C08 | C09 | H32 | 62.6° | 59.9° |
| C07 | C05 | C04 | F06 | 119.2° | 120.0° |
| C07 | C05 | C04 | H26 | 120.0° | 119.9° |
| C07 | C05 | F06 | H26 | 120.6° | 120.0° |
| C07 | C05 | C04 | C03 | 79.6° | 175.0° |
| C07 | C05 | C04 | H24 | 160.0° | 65.0° |
| C07 | C05 | C04 | H25 | 40.7° | 55.0° |
| C05 | C07 | H27 | H28 | 117.3° | 120.1° |
| C05 | C07 | C08 | H29 | 49.4° | 60.0° |
| C05 | C07 | C08 | H30 | 70.2° | 60.0° |
| C04 | C05 | F06 | H26 | 119.3° | 120.0° |
| C05 | C04 | C03 | H24 | 120.3° | 120.0° |
| C05 | C04 | C03 | H25 | 120.3° | 120.0° |
| C05 | C04 | C03 | C02 | 161.6° | 180.0° |
| C05 | C04 | C03 | H22 | 78.0° | 60.0° |
| C05 | C04 | C03 | H23 | 41.2° | 60.0° |
| C05 | C04 | H24 | H25 | 119.0° | 120.0° |
| C04 | C05 | C07 | H27 | 57.6° | 65.0° |
| C04 | C05 | C07 | H28 | 60.7° | 55.0° |
| F06 | C05 | C04 | C03 | 39.5° | 65.0° |
| F06 | C05 | C04 | H24 | 80.8° | 55.0° |
| F06 | C05 | C04 | H25 | 159.8° | 175.0° |
| F06 | C05 | C07 | H27 | 175.6° | 55.0° |
| F06 | C05 | C07 | H28 | 57.3° | 175.0° |
| C04 | C03 | C02 | H22 | 120.4° | 120.0° |
| C04 | C03 | C02 | H23 | 120.3° | 120.0° |
| C04 | C03 | C02 | C01 | 163.5° | 180.0° |
| C04 | C03 | C02 | H20 | 43.0° | 60.0° |
| C04 | C03 | C02 | H21 | 75.9° | 60.0° |
| C04 | C03 | H22 | H23 | 118.9° | 120.0° |
| C03 | C04 | H24 | H25 | 119.0° | 120.0° |
| C03 | C04 | C05 | H26 | 160.4° | 55.0° |
| C03 | C02 | C01 | H20 | 120.6° | 120.0° |
| C03 | C02 | C01 | H21 | 120.6° | 120.0° |
| C03 | C02 | C01 | H17 | 180.0° | 60.0° |
| C03 | C02 | C01 | H18 | 60.0° | 180.0° |
| C03 | C02 | C01 | H19 | 60.0° | 60.0° |
| C03 | C02 | H20 | H21 | 118.3° | 120.0° |
| C02 | C03 | H22 | H23 | 118.9° | 120.0° |
| C02 | C03 | C04 | H24 | 41.3° | 60.0° |
| C02 | C03 | C04 | H25 | 78.1° | 60.0° |
| C02 | C01 | H17 | H18 | 120.0° | 120.0° |
| C02 | C01 | H17 | H19 | 120.0° | 120.0° |
| C02 | C01 | H18 | H19 | 120.0° | 119.9° |
| C01 | C02 | H20 | H21 | 118.3° | 120.0° |
| C01 | C02 | C03 | H22 | 76.1° | 60.0° |
| C01 | C02 | C03 | H23 | 43.2° | 60.0° |
| H1 | C10 | C09 | H31 | 169.4° | 60.0° |
| H1 | C10 | C09 | H32 | 72.6° | 179.9° |
| H1 | C10 | C11 | H33 | 128.8° | 65.0° |
| H2 | C10 | C09 | H31 | 50.2° | 180.0° |
| H2 | C10 | C09 | H32 | 168.3° | 60.0° |
| H2 | C10 | C11 | H33 | 112.0° | 175.0° |
| H3 | C13 | C11 | H33 | 49.6° | 65.0° |
| H4 | C13 | C11 | H33 | 167.0° | 175.0° |
| H6 | C20 | C21 | H8 | 114.2° | 65.1° |
| H6 | C20 | C21 | H9 | 6.0° | 175.0° |
| H6 | C20 | C19 | H37 | 99.4° | 65.4° |
| H7 | C20 | C21 | H8 | 126.1° | 175.0° |
| H7 | C20 | C21 | H9 | 113.7° | 55.0° |
| H7 | C20 | C19 | H37 | 140.9° | 174.6° |
| H8 | C21 | C22 | H10 | 65.9° | 180.0° |
| H8 | C21 | C22 | H11 | 53.4° | 60.0° |
| H9 | C21 | C22 | H10 | 173.8° | 60.0° |
| H9 | C21 | C22 | H11 | 66.9° | 180.0° |
| H10 | C22 | C23 | H38 | 59.6° | 60.1° |
| H10 | C22 | C23 | H39 | 60.4° | 179.9° |
| H10 | C22 | C23 | H40 | 179.6° | 60.0° |
| H11 | C22 | C23 | H38 | 59.6° | 60.0° |
| H11 | C22 | C23 | H39 | 179.7° | 60.0° |
| H11 | C22 | C23 | H40 | 60.4° | 179.9° |
| H12 | C24 | C19 | H37 | 43.5° | 174.0° |
| H12 | C24 | C25 | H41 | 62.3° | 174.9° |
| H12 | C24 | C25 | H42 | 178.8° | 54.8° |
| H13 | C24 | C19 | H37 | 162.2° | 66.0° |
| H13 | C24 | C25 | H41 | 56.5° | 65.2° |
| H13 | C24 | C25 | H42 | 62.5° | 174.8° |
| H14 | C26 | C25 | H41 | 170.8° | 180.0° |
| H14 | C26 | C25 | H42 | 51.8° | 59.9° |
| H14 | C26 | C27 | H43 | 150.6° | 180.0° |
| H14 | C26 | C27 | H44 | 90.4° | 60.0° |
| H15 | C26 | C25 | H41 | 70.2° | 60.0° |
| H15 | C26 | C25 | H42 | 170.9° | 180.0° |
| H15 | C26 | C27 | H43 | 31.6° | 60.0° |
| H15 | C26 | C27 | H44 | 150.6° | 180.0° |
| H16 | C28 | C27 | H43 | 177.5° | 65.0° |
| H16 | C28 | C27 | H44 | 63.5° | 175.0° |
| H16 | C28 | C29 | H45 | 61.5° | 60.1° |
| H16 | C28 | C29 | H46 | 178.5° | 60.0° |
| H16 | C28 | C29 | H47 | 58.5° | 180.0° |
| H16 | C28 | C30 | H48 | 151.3° | 65.0° |
| H16 | C28 | C30 | H49 | 90.0° | 175.0° |
| H17 | C01 | H18 | H19 | 120.0° | 120.1° |
| H17 | C01 | C02 | H20 | 59.4° | 180.0° |
| H17 | C01 | C02 | H21 | 59.4° | 60.0° |
| H18 | C01 | C02 | H20 | 179.5° | 60.0° |
| H18 | C01 | C02 | H21 | 60.6° | 60.0° |
| H19 | C01 | C02 | H20 | 60.5° | 60.0° |
| H19 | C01 | C02 | H21 | 179.4° | 179.9° |
| H20 | C02 | C03 | H22 | 163.3° | 180.0° |
| H20 | C02 | C03 | H23 | 77.4° | 60.0° |
| H21 | C02 | C03 | H22 | 44.5° | 60.0° |
| H21 | C02 | C03 | H23 | 163.7° | 180.0° |
| H22 | C03 | C04 | H24 | 161.6° | 180.0° |
| H22 | C03 | C04 | H25 | 42.3° | 60.0° |
| H23 | C03 | C04 | H24 | 79.1° | 60.0° |
| H23 | C03 | C04 | H25 | 161.5° | 180.0° |
| H24 | C04 | C05 | H26 | 40.0° | 175.1° |
| H25 | C04 | C05 | H26 | 79.3° | 64.9° |
| H26 | C05 | C07 | H27 | 62.4° | 175.0° |
| H26 | C05 | C07 | H28 | 179.4° | 64.9° |
| H27 | C07 | C08 | H29 | 170.2° | 180.0° |
| H27 | C07 | C08 | H30 | 50.6° | 60.0° |
| H28 | C07 | C08 | H29 | 71.5° | 60.0° |
| H28 | C07 | C08 | H30 | 168.9° | 180.0° |
| H29 | C08 | C09 | H31 | 175.6° | 60.0° |
| H29 | C08 | C09 | H32 | 57.6° | 180.0° |
| H30 | C08 | C09 | H31 | 64.7° | 180.0° |
| H30 | C08 | C09 | H32 | 177.3° | 60.1° |
| H33 | C11 | C12 | H34 | 62.2° | 179.9° |
| H33 | C11 | C12 | H35 | 57.9° | 60.0° |
| H33 | C11 | C12 | H36 | 177.9° | 60.0° |
| H34 | C12 | H35 | H36 | 120.0° | 120.0° |
| H38 | C23 | H39 | H40 | 120.0° | 120.1° |
| H45 | C29 | H46 | H47 | 120.0° | 120.0° |
