6KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C47 | C45 | sing | 1.53Å | 1.66Å | |
| C47 | C49 | sing | 1.53Å | 1.54Å | |
| C47 | C48 | sing | 1.53Å | 1.56Å | |
| C45 | O46 | sing | 1.43Å | 1.44Å | |
| C45 | C43 | sing | 1.53Å | 1.56Å | |
| C49 | O50 | sing | 1.43Å | 1.43Å | |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C43 | N42 | sing | 1.46Å | 1.48Å | |
| N42 | C40 | sing | 1.35Å | 1.34Å | |
| O41 | C40 | doub | 1.21Å | 1.23Å | |
| C40 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C38 | N37 | sing | 1.47Å | 1.47Å | |
| C39 | C21 | sing | 1.51Å | 1.40Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| N37 | C35 | sing | 1.35Å | 1.35Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| O36 | C35 | doub | 1.21Å | 1.23Å | |
| C35 | C30 | sing | 1.51Å | 1.53Å | |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C14 | sing | 1.51Å | 1.39Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | N31 | sing | 1.46Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N31 | C32 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.23Å | |
| C32 | C34 | sing | 1.51Å | 1.54Å | |
| C11 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C23 | sing | 1.48Å | 1.40Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C4 | sing | 1.53Å | 1.53Å | |
| C34 | N1 | sing | 1.46Å | 1.49Å | |
| C4 | C5 | sing | 1.51Å | 1.41Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | N2 | doub | 1.12Å | 1.14Å | |
| N2 | N1 | doub | 1.12Å | 1.20Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| N31 | H23 | sing | 0.97Å | 1.00Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| N37 | H26 | sing | 0.97Å | 1.00Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| N42 | H32 | sing | 0.97Å | 1.00Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| O46 | H38 | sing | 0.97Å | 0.95Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C48 | H40 | sing | 1.09Å | 1.10Å | |
| C48 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.09Å | 1.10Å | |
| C49 | H43 | sing | 1.09Å | 1.10Å | |
| C49 | H44 | sing | 1.09Å | 1.10Å | |
| O50 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C47 | C49 | 109.8° | 109.5° |
| C45 | C47 | C48 | 112.0° | 109.4° |
| C47 | C45 | O46 | 110.9° | 109.5° |
| C47 | C45 | C43 | 116.6° | 109.4° |
| C47 | C45 | H37 | 105.5° | 109.5° |
| C45 | C47 | H39 | 108.4° | 109.5° |
| C49 | C47 | C48 | 106.9° | 109.5° |
| C47 | C49 | O50 | 107.3° | 109.5° |
| C49 | C47 | H39 | 109.9° | 109.5° |
| C47 | C49 | H43 | 110.0° | 109.5° |
| C47 | C49 | H44 | 110.0° | 109.5° |
| C48 | C47 | H39 | 109.7° | 109.5° |
| C47 | C48 | H40 | 109.5° | 109.5° |
| C47 | C48 | H41 | 109.5° | 109.5° |
| C47 | C48 | H42 | 109.5° | 109.5° |
| O46 | C45 | C43 | 109.0° | 109.5° |
| O46 | C45 | H37 | 107.9° | 109.5° |
| C45 | O46 | H38 | 109.5° | 114.0° |
| C45 | C43 | C44 | 112.9° | 109.4° |
| C45 | C43 | N42 | 114.5° | 109.5° |
| C45 | C43 | H33 | 107.8° | 109.5° |
| C43 | C45 | H37 | 106.5° | 109.4° |
| O50 | C49 | H43 | 110.0° | 109.5° |
| O50 | C49 | H44 | 110.0° | 109.4° |
| C49 | O50 | H45 | 109.5° | 114.0° |
| C44 | C43 | N42 | 104.6° | 109.5° |
| C44 | C43 | H33 | 108.0° | 109.5° |
| C43 | C44 | H34 | 109.5° | 109.5° |
| C43 | C44 | H35 | 109.5° | 109.5° |
| C43 | C44 | H36 | 109.5° | 109.5° |
| C43 | N42 | C40 | 121.3° | 120.0° |
| C43 | N42 | H32 | 119.4° | 120.0° |
| N42 | C43 | H33 | 108.9° | 109.4° |
| N42 | C40 | O41 | 124.2° | 120.0° |
| N42 | C40 | C38 | 115.3° | 120.0° |
| C40 | N42 | H32 | 119.4° | 119.9° |
| O41 | C40 | C38 | 120.5° | 120.0° |
| C40 | C38 | C39 | 111.0° | 109.4° |
| C40 | C38 | N37 | 107.4° | 109.4° |
| C40 | C38 | H27 | 109.2° | 109.5° |
| C39 | C38 | N37 | 109.9° | 109.5° |
| C38 | C39 | C21 | 104.0° | 109.5° |
| C39 | C38 | H27 | 109.3° | 109.5° |
| C38 | C39 | H28 | 110.8° | 109.5° |
| C38 | C39 | H29 | 110.8° | 109.5° |
| C38 | N37 | C35 | 123.3° | 120.0° |
| C38 | N37 | H26 | 118.3° | 120.0° |
| N37 | C38 | H27 | 109.9° | 109.5° |
| C39 | C21 | C20 | 120.2° | 120.0° |
| C39 | C21 | C22 | 120.7° | 120.1° |
| C21 | C39 | H28 | 110.8° | 109.5° |
| C21 | C39 | H29 | 110.8° | 109.5° |
| C21 | C20 | C19 | 120.5° | 120.0° |
| C20 | C21 | C22 | 119.1° | 119.9° |
| C21 | C20 | H11 | 119.7° | 120.0° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C19 | C20 | H11 | 119.8° | 120.0° |
| C20 | C19 | H30 | 120.0° | 120.0° |
| C21 | C22 | C17 | 120.4° | 120.0° |
| C21 | C22 | H12 | 119.8° | 120.0° |
| N37 | C35 | O36 | 125.0° | 120.0° |
| N37 | C35 | C30 | 114.2° | 120.0° |
| C35 | N37 | H26 | 118.4° | 120.0° |
| C19 | C18 | C17 | 119.8° | 120.0° |
| C18 | C19 | H30 | 120.0° | 120.1° |
| C19 | C18 | H31 | 120.1° | 120.0° |
| O36 | C35 | C30 | 120.7° | 120.0° |
| C35 | C30 | C29 | 109.6° | 109.5° |
| C35 | C30 | N31 | 108.8° | 109.5° |
| C35 | C30 | H22 | 109.0° | 109.4° |
| C22 | C17 | C18 | 120.2° | 120.0° |
| C22 | C17 | H10 | 119.9° | 120.0° |
| C17 | C22 | H12 | 119.8° | 120.0° |
| C30 | C29 | C14 | 111.8° | 109.5° |
| C29 | C30 | N31 | 110.8° | 109.5° |
| C30 | C29 | H20 | 108.9° | 109.5° |
| C30 | C29 | H21 | 108.9° | 109.5° |
| C29 | C30 | H22 | 108.9° | 109.5° |
| C29 | C14 | C13 | 116.3° | 119.9° |
| C29 | C14 | C15 | 125.4° | 119.9° |
| C14 | C29 | H20 | 108.9° | 109.4° |
| C14 | C29 | H21 | 108.9° | 109.5° |
| C18 | C17 | H10 | 119.9° | 120.0° |
| C17 | C18 | H31 | 120.1° | 120.0° |
| C30 | N31 | C32 | 121.9° | 120.0° |
| N31 | C30 | H22 | 109.8° | 109.4° |
| C30 | N31 | H23 | 119.1° | 120.0° |
| C14 | C13 | C12 | 121.3° | 120.1° |
| C13 | C14 | C15 | 118.3° | 120.2° |
| C14 | C13 | H8 | 119.3° | 119.9° |
| C13 | C12 | C11 | 120.5° | 119.9° |
| C12 | C13 | H8 | 119.4° | 119.9° |
| C13 | C12 | H19 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C14 | C15 | H9 | 119.7° | 119.9° |
| N31 | C32 | O33 | 124.5° | 120.0° |
| N31 | C32 | C34 | 114.1° | 120.0° |
| C32 | N31 | H23 | 119.1° | 120.0° |
| C12 | C11 | C16 | 118.6° | 119.7° |
| C12 | C11 | C23 | 121.0° | 120.1° |
| C11 | C12 | H19 | 119.7° | 120.1° |
| C15 | C16 | C11 | 120.9° | 119.9° |
| C16 | C15 | H9 | 119.8° | 120.0° |
| C15 | C16 | H18 | 119.6° | 120.1° |
| O33 | C32 | C34 | 121.4° | 120.0° |
| C32 | C34 | C4 | 108.1° | 109.5° |
| C32 | C34 | N1 | 112.1° | 109.5° |
| C32 | C34 | H24 | 107.3° | 109.5° |
| C16 | C11 | C23 | 120.4° | 120.1° |
| C11 | C16 | H18 | 119.6° | 120.1° |
| C11 | C23 | C24 | 121.9° | 120.1° |
| C11 | C23 | C28 | 119.4° | 120.1° |
| C24 | C23 | C28 | 118.6° | 119.8° |
| C23 | C24 | C25 | 120.2° | 119.9° |
| C23 | C24 | H13 | 119.9° | 120.1° |
| C23 | C28 | C27 | 121.4° | 119.9° |
| C23 | C28 | H15 | 119.3° | 120.1° |
| C4 | C34 | N1 | 113.7° | 109.5° |
| C34 | C4 | C5 | 110.3° | 109.4° |
| C34 | C4 | H2 | 109.3° | 109.4° |
| C34 | C4 | H3 | 109.3° | 109.5° |
| C4 | C34 | H24 | 107.5° | 109.5° |
| C34 | N1 | N2 | 120.8° | 120.1° |
| N1 | C34 | H24 | 108.0° | 109.5° |
| C4 | C5 | C10 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.0° |
| C5 | C4 | H2 | 109.3° | 109.5° |
| C5 | C4 | H3 | 109.3° | 109.5° |
| C24 | C25 | C26 | 120.5° | 120.1° |
| C25 | C24 | H13 | 119.9° | 120.1° |
| C24 | C25 | H16 | 119.7° | 119.9° |
| C28 | C27 | C26 | 119.7° | 120.1° |
| C27 | C28 | H15 | 119.3° | 120.0° |
| C28 | C27 | H17 | 120.2° | 120.0° |
| N3 | N2 | N1 | 179.1° | 179.9° |
| C25 | C26 | C27 | 119.6° | 120.3° |
| C25 | C26 | H14 | 120.2° | 119.9° |
| C26 | C25 | H16 | 119.7° | 119.9° |
| C27 | C26 | H14 | 120.2° | 119.9° |
| C26 | C27 | H17 | 120.2° | 120.0° |
| C10 | C5 | C6 | 118.9° | 120.0° |
| C5 | C10 | C9 | 120.2° | 120.0° |
| C5 | C10 | H7 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | H4 | 119.6° | 120.0° |
| C10 | C9 | C8 | 120.5° | 120.0° |
| C9 | C10 | H7 | 119.9° | 120.0° |
| C10 | C9 | H25 | 119.7° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.1° |
| C7 | C6 | H4 | 119.6° | 120.0° |
| C6 | C7 | H5 | 120.0° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C9 | C8 | H6 | 120.2° | 120.0° |
| C8 | C9 | H25 | 119.8° | 120.0° |
| C8 | C7 | H5 | 120.1° | 120.0° |
| C7 | C8 | H6 | 120.2° | 120.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.4° | 109.4° |
| H28 | C39 | H29 | 109.5° | 109.5° |
| H34 | C44 | H35 | 109.5° | 109.5° |
| H34 | C44 | H36 | 109.5° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.5° |
| H40 | C48 | H41 | 109.4° | 109.4° |
| H40 | C48 | H42 | 109.5° | 109.5° |
| H41 | C48 | H42 | 109.5° | 109.5° |
| H43 | C49 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C47 | C49 | C48 | 121.7° | 120.0° |
| C45 | C47 | C49 | H39 | 119.2° | 120.0° |
| C45 | C47 | C48 | H39 | 120.5° | 120.0° |
| C47 | C45 | O46 | C43 | 129.7° | 120.0° |
| C47 | C45 | O46 | H37 | 115.1° | 120.1° |
| C47 | C45 | C43 | H37 | 117.3° | 120.0° |
| C45 | C47 | C49 | O50 | 60.8° | 175.1° |
| C47 | C45 | C43 | C44 | 150.5° | 177.7° |
| C47 | C45 | C43 | N42 | 89.9° | 57.8° |
| C47 | C45 | C43 | H33 | 31.3° | 62.2° |
| C47 | C45 | O46 | H38 | 180.0° | 59.9° |
| C45 | C47 | C48 | H40 | 180.0° | 64.2° |
| C45 | C47 | C48 | H41 | 60.0° | 55.7° |
| C45 | C47 | C48 | H42 | 60.0° | 175.8° |
| C45 | C47 | C49 | H43 | 179.6° | 55.0° |
| C45 | C47 | C49 | H44 | 58.9° | 65.0° |
| C49 | C47 | C48 | H39 | 119.2° | 120.0° |
| C49 | C47 | C45 | O46 | 22.3° | 176.1° |
| C49 | C47 | C45 | C43 | 103.2° | 63.9° |
| C47 | C49 | O50 | H43 | 119.7° | 120.0° |
| C47 | C49 | O50 | H44 | 119.6° | 120.0° |
| C49 | C47 | C45 | H37 | 138.9° | 56.0° |
| C49 | C47 | C48 | H40 | 59.6° | 55.8° |
| C49 | C47 | C48 | H41 | 60.4° | 175.7° |
| C49 | C47 | C48 | H42 | 179.7° | 64.2° |
| C47 | C49 | H43 | H44 | 121.0° | 120.0° |
| C47 | C49 | O50 | H45 | 180.0° | 179.9° |
| C48 | C47 | C45 | O46 | 141.0° | 56.1° |
| C48 | C47 | C45 | C43 | 15.4° | 176.1° |
| C48 | C47 | C49 | O50 | 61.0° | 65.0° |
| C48 | C47 | C45 | H37 | 102.4° | 64.0° |
| C47 | C48 | H40 | H41 | 120.0° | 119.9° |
| C47 | C48 | H40 | H42 | 120.0° | 120.0° |
| C47 | C48 | H41 | H42 | 120.0° | 120.0° |
| C48 | C47 | C49 | H43 | 58.7° | 175.0° |
| C48 | C47 | C49 | H44 | 179.4° | 55.0° |
| O46 | C45 | C43 | H37 | 116.2° | 120.0° |
| O46 | C45 | C43 | C44 | 83.0° | 57.7° |
| O46 | C45 | C43 | N42 | 36.6° | 62.2° |
| O46 | C45 | C43 | H33 | 157.8° | 177.8° |
| O46 | C45 | C47 | H39 | 97.8° | 63.9° |
| C45 | C43 | C44 | N42 | 125.1° | 120.0° |
| C45 | C43 | C44 | H33 | 119.1° | 120.0° |
| C45 | C43 | N42 | H33 | 120.7° | 120.0° |
| C45 | C43 | N42 | C40 | 131.7° | 154.3° |
| C45 | C43 | N42 | H32 | 48.4° | 25.6° |
| C45 | C43 | C44 | H34 | 180.0° | 60.0° |
| C45 | C43 | C44 | H35 | 60.0° | 60.0° |
| C45 | C43 | C44 | H36 | 60.0° | 180.0° |
| C43 | C45 | O46 | H38 | 50.3° | 60.0° |
| C43 | C45 | C47 | H39 | 136.6° | 56.1° |
| O50 | C49 | C47 | H39 | 180.0° | 55.0° |
| O50 | C49 | H43 | H44 | 121.0° | 119.9° |
| C44 | C43 | N42 | H33 | 115.2° | 120.0° |
| C44 | C43 | N42 | C40 | 104.2° | 85.7° |
| C44 | C43 | N42 | H32 | 75.8° | 94.3° |
| C43 | C44 | H34 | H35 | 120.0° | 120.0° |
| C43 | C44 | H34 | H36 | 120.0° | 120.0° |
| C43 | C44 | H35 | H36 | 120.0° | 120.0° |
| C44 | C43 | C45 | H37 | 33.2° | 62.3° |
| C43 | N42 | C40 | H32 | 180.0° | 179.9° |
| C43 | N42 | C40 | O41 | 3.6° | 0.0° |
| C43 | N42 | C40 | C38 | 175.5° | 180.0° |
| N42 | C43 | C44 | H34 | 54.9° | 60.0° |
| N42 | C43 | C44 | H35 | 65.1° | 180.0° |
| N42 | C43 | C44 | H36 | 174.9° | 60.0° |
| N42 | C43 | C45 | H37 | 152.8° | 177.7° |
| N42 | C40 | O41 | C38 | 179.0° | 179.9° |
| N42 | C40 | C38 | C39 | 75.4° | 60.1° |
| N42 | C40 | C38 | N37 | 164.4° | 180.0° |
| N42 | C40 | C38 | H27 | 45.2° | 59.9° |
| C40 | N42 | C43 | H33 | 11.0° | 34.3° |
| O41 | C40 | C38 | C39 | 105.5° | 120.0° |
| O41 | C40 | C38 | N37 | 14.7° | 0.0° |
| O41 | C40 | C38 | H27 | 133.9° | 120.0° |
| O41 | C40 | N42 | H32 | 176.5° | 179.9° |
| C40 | C38 | C39 | N37 | 118.7° | 120.0° |
| C40 | C38 | C39 | H27 | 120.5° | 120.0° |
| C40 | C38 | N37 | H27 | 118.7° | 120.0° |
| C40 | C38 | C39 | C21 | 154.0° | 175.0° |
| C40 | C38 | N37 | C35 | 107.3° | 155.1° |
| C40 | C38 | N37 | H26 | 72.7° | 25.0° |
| C40 | C38 | C39 | H28 | 86.8° | 55.0° |
| C40 | C38 | C39 | H29 | 34.9° | 65.0° |
| C38 | C40 | N42 | H32 | 4.5° | 0.1° |
| C39 | C38 | N37 | H27 | 120.4° | 120.0° |
| C38 | C39 | C21 | H28 | 119.1° | 120.0° |
| C38 | C39 | C21 | H29 | 119.1° | 120.0° |
| C38 | C39 | C21 | C20 | 88.8° | 90.0° |
| C38 | C39 | C21 | C22 | 90.6° | 89.7° |
| C39 | C38 | N37 | C35 | 131.8° | 85.0° |
| C39 | C38 | N37 | H26 | 48.2° | 94.9° |
| C38 | C39 | H28 | H29 | 122.5° | 120.0° |
| N37 | C38 | C39 | C21 | 87.3° | 65.1° |
| C38 | N37 | C35 | H26 | 180.0° | 179.9° |
| C38 | N37 | C35 | O36 | 2.4° | 0.0° |
| C38 | N37 | C35 | C30 | 178.7° | 180.0° |
| N37 | C38 | C39 | H28 | 31.9° | 175.0° |
| N37 | C38 | C39 | H29 | 153.6° | 55.0° |
| C39 | C21 | C20 | C22 | 179.4° | 179.7° |
| C39 | C21 | C20 | C19 | 179.7° | 180.0° |
| C39 | C21 | C22 | C17 | 179.6° | 179.7° |
| C39 | C21 | C20 | H11 | 0.3° | 0.2° |
| C39 | C21 | C22 | H12 | 0.4° | 0.3° |
| C21 | C39 | C38 | H27 | 33.5° | 55.0° |
| C21 | C39 | H28 | H29 | 122.5° | 120.0° |
| C21 | C20 | C19 | H11 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| C20 | C21 | C22 | C17 | 0.2° | 0.1° |
| C20 | C21 | C22 | H12 | 179.8° | 180.0° |
| C20 | C21 | C39 | H28 | 152.0° | 150.0° |
| C20 | C21 | C39 | H29 | 30.3° | 30.0° |
| C21 | C20 | C19 | H30 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.2° |
| C20 | C19 | C18 | H30 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H31 | 179.9° | 180.0° |
| C21 | C22 | C17 | H12 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.0° | 0.3° |
| C21 | C22 | C17 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | H11 | 179.7° | 180.0° |
| C22 | C21 | C39 | H28 | 28.6° | 30.3° |
| C22 | C21 | C39 | H29 | 150.3° | 150.3° |
| N37 | C35 | O36 | C30 | 178.8° | 180.0° |
| N37 | C35 | C30 | C29 | 107.1° | 80.0° |
| N37 | C35 | C30 | N31 | 131.7° | 160.0° |
| N37 | C35 | C30 | H22 | 11.9° | 40.0° |
| C35 | N37 | C38 | H27 | 11.4° | 35.1° |
| C19 | C18 | C17 | C22 | 0.1° | 0.3° |
| C19 | C18 | C17 | H31 | 180.0° | 180.0° |
| C19 | C18 | C17 | H10 | 179.9° | 180.0° |
| C18 | C19 | C20 | H11 | 179.9° | 179.9° |
| O36 | C35 | C30 | C29 | 74.0° | 100.0° |
| O36 | C35 | C30 | N31 | 47.2° | 20.0° |
| O36 | C35 | C30 | H22 | 167.0° | 140.0° |
| O36 | C35 | N37 | H26 | 177.6° | 180.0° |
| C35 | C30 | C29 | N31 | 120.0° | 120.1° |
| C35 | C30 | C29 | H22 | 119.1° | 120.0° |
| C35 | C30 | C29 | C14 | 177.3° | 175.0° |
| C35 | C30 | N31 | H22 | 119.2° | 120.0° |
| C35 | C30 | N31 | C32 | 85.8° | 60.0° |
| C35 | C30 | C29 | H20 | 57.0° | 55.0° |
| C35 | C30 | C29 | H21 | 62.3° | 65.0° |
| C35 | C30 | N31 | H23 | 94.2° | 119.9° |
| C30 | C35 | N37 | H26 | 1.3° | 0.1° |
| C22 | C17 | C18 | H10 | 180.0° | 179.7° |
| C22 | C17 | C18 | H31 | 179.9° | 179.7° |
| C30 | C29 | C14 | H20 | 120.4° | 120.0° |
| C30 | C29 | C14 | H21 | 120.4° | 120.1° |
| C29 | C30 | N31 | H22 | 120.3° | 120.0° |
| C30 | C29 | C14 | C13 | 156.4° | 90.0° |
| C30 | C29 | C14 | C15 | 24.2° | 90.0° |
| C29 | C30 | N31 | C32 | 153.7° | 60.1° |
| C30 | C29 | H20 | H21 | 118.9° | 120.0° |
| C29 | C30 | N31 | H23 | 26.3° | 120.0° |
| C14 | C29 | C30 | N31 | 57.3° | 65.0° |
| C29 | C14 | C13 | C15 | 179.5° | 179.9° |
| C29 | C14 | C13 | C12 | 179.8° | 180.0° |
| C29 | C14 | C15 | C16 | 179.9° | 180.0° |
| C29 | C14 | C13 | H8 | 0.2° | 0.3° |
| C29 | C14 | C15 | H9 | 0.1° | 0.0° |
| C14 | C29 | H20 | H21 | 118.9° | 119.9° |
| C14 | C29 | C30 | H22 | 63.6° | 55.0° |
| C18 | C17 | C22 | H12 | 180.0° | 179.7° |
| C17 | C18 | C19 | H30 | 179.9° | 179.7° |
| C30 | N31 | C32 | H23 | 180.0° | 180.0° |
| C30 | N31 | C32 | O33 | 1.3° | 0.0° |
| C30 | N31 | C32 | C34 | 179.6° | 180.0° |
| N31 | C30 | C29 | H20 | 63.1° | 175.0° |
| N31 | C30 | C29 | H21 | 177.7° | 55.1° |
| C14 | C13 | C12 | H8 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.1° |
| C13 | C14 | C15 | H9 | 179.3° | 179.9° |
| C14 | C13 | C12 | H19 | 179.7° | 180.0° |
| C13 | C14 | C29 | H20 | 36.0° | 150.0° |
| C13 | C14 | C29 | H21 | 83.2° | 30.1° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | H19 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 0.6° | 0.0° |
| C13 | C12 | C11 | C23 | 179.1° | 180.0° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 1.1° | 0.1° |
| C15 | C14 | C13 | H8 | 179.7° | 179.8° |
| C14 | C15 | C16 | H18 | 179.0° | 180.0° |
| C15 | C14 | C29 | H20 | 144.5° | 30.1° |
| C15 | C14 | C29 | H21 | 96.2° | 150.0° |
| N31 | C32 | O33 | C34 | 178.1° | 180.0° |
| N31 | C32 | C34 | C4 | 126.3° | 80.0° |
| N31 | C32 | C34 | N1 | 107.7° | 160.0° |
| C32 | N31 | C30 | H22 | 33.4° | 180.0° |
| N31 | C32 | C34 | H24 | 10.6° | 40.0° |
| C12 | C11 | C16 | C15 | 1.0° | 0.0° |
| C12 | C11 | C16 | C23 | 178.4° | 179.9° |
| C12 | C11 | C23 | C24 | 139.0° | 0.1° |
| C12 | C11 | C23 | C28 | 42.4° | 179.9° |
| C11 | C12 | C13 | H8 | 179.7° | 179.7° |
| C12 | C11 | C16 | H18 | 179.0° | 180.0° |
| C15 | C16 | C11 | H18 | 180.0° | 180.0° |
| C15 | C16 | C11 | C23 | 179.4° | 179.9° |
| O33 | C32 | C34 | C4 | 52.0° | 100.0° |
| O33 | C32 | C34 | N1 | 74.0° | 20.0° |
| O33 | C32 | N31 | H23 | 178.7° | 180.0° |
| O33 | C32 | C34 | H24 | 167.7° | 140.0° |
| C32 | C34 | C4 | N1 | 125.1° | 120.0° |
| C32 | C34 | C4 | H24 | 115.5° | 120.0° |
| C32 | C34 | N1 | H24 | 117.9° | 120.0° |
| C32 | C34 | C4 | C5 | 155.5° | 175.0° |
| C32 | C34 | N1 | N2 | 14.5° | 175.0° |
| C32 | C34 | C4 | H2 | 35.4° | 55.0° |
| C32 | C34 | C4 | H3 | 84.3° | 65.0° |
| C34 | C32 | N31 | H23 | 0.4° | 0.0° |
| C16 | C11 | C23 | C24 | 42.6° | 180.0° |
| C16 | C11 | C23 | C28 | 135.9° | 0.0° |
| C11 | C16 | C15 | H9 | 178.9° | 180.0° |
| C16 | C11 | C12 | H19 | 179.4° | 180.0° |
| C11 | C23 | C24 | C28 | 178.5° | 180.0° |
| C11 | C23 | C24 | C25 | 179.0° | 179.9° |
| C11 | C23 | C28 | C27 | 179.2° | 179.5° |
| C11 | C23 | C24 | H13 | 1.0° | 0.3° |
| C11 | C23 | C28 | H15 | 0.8° | 0.2° |
| C23 | C11 | C16 | H18 | 0.6° | 0.0° |
| C23 | C11 | C12 | H19 | 1.0° | 0.1° |
| C23 | C24 | C25 | H13 | 180.0° | 179.7° |
| C24 | C23 | C28 | C27 | 0.6° | 0.5° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C24 | C23 | C28 | H15 | 179.3° | 179.7° |
| C23 | C24 | C25 | H16 | 179.9° | 179.8° |
| C28 | C23 | C24 | C25 | 0.5° | 0.1° |
| C23 | C28 | C27 | H15 | 180.0° | 179.2° |
| C23 | C28 | C27 | C26 | 0.4° | 0.8° |
| C28 | C23 | C24 | H13 | 179.5° | 179.7° |
| C23 | C28 | C27 | H17 | 179.6° | 179.2° |
| C4 | C34 | N1 | H24 | 119.2° | 120.0° |
| C34 | C4 | C5 | H2 | 120.1° | 119.9° |
| C34 | C4 | C5 | H3 | 120.2° | 120.0° |
| C4 | C34 | N1 | N2 | 108.4° | 65.1° |
| C34 | C4 | C5 | C10 | 105.8° | 90.0° |
| C34 | C4 | C5 | C6 | 76.0° | 89.7° |
| C34 | C4 | H2 | H3 | 119.7° | 120.0° |
| N1 | C34 | C4 | C5 | 30.5° | 65.0° |
| C34 | N1 | N2 | N3 | 76.2° | 15.4° |
| N1 | C34 | C4 | H2 | 89.6° | 175.0° |
| N1 | C34 | C4 | H3 | 150.6° | 55.0° |
| C4 | C5 | C10 | C6 | 178.3° | 179.7° |
| C4 | C5 | C10 | C9 | 179.4° | 179.7° |
| C4 | C5 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | H2 | H3 | 119.6° | 120.1° |
| C4 | C5 | C6 | H4 | 0.4° | 0.0° |
| C4 | C5 | C10 | H7 | 0.6° | 0.0° |
| C5 | C4 | C34 | H24 | 88.9° | 55.0° |
| C24 | C25 | C26 | H16 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H14 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.5° |
| C28 | C27 | C26 | H17 | 180.0° | 180.0° |
| C28 | C27 | C26 | H14 | 180.0° | 179.4° |
| N2 | N1 | C34 | H24 | 132.4° | 55.0° |
| C25 | C26 | C27 | H14 | 180.0° | 180.0° |
| C26 | C25 | C24 | H13 | 179.9° | 180.0° |
| C25 | C26 | C27 | H17 | 180.0° | 179.5° |
| C26 | C27 | C28 | H15 | 179.6° | 180.0° |
| C27 | C26 | C25 | H16 | 179.9° | 179.9° |
| C5 | C10 | C9 | H7 | 180.0° | 179.8° |
| C10 | C5 | C6 | C7 | 1.3° | 0.3° |
| C5 | C10 | C9 | C8 | 0.4° | 0.5° |
| C10 | C5 | C4 | H2 | 134.1° | 150.1° |
| C10 | C5 | C4 | H3 | 14.4° | 30.0° |
| C10 | C5 | C6 | H4 | 178.7° | 179.7° |
| C5 | C10 | C9 | H25 | 179.6° | 180.0° |
| C6 | C5 | C10 | C9 | 1.1° | 0.5° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.8° | 0.1° |
| C6 | C5 | C4 | H2 | 44.1° | 30.2° |
| C6 | C5 | C4 | H3 | 163.9° | 150.3° |
| C5 | C6 | C7 | H5 | 179.2° | 180.0° |
| C6 | C5 | C10 | H7 | 178.9° | 179.7° |
| C10 | C9 | C8 | H25 | 180.0° | 179.5° |
| C10 | C9 | C8 | C7 | 0.1° | 0.2° |
| C10 | C9 | C8 | H6 | 179.9° | 179.8° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | H6 | 179.8° | 180.0° |
| C9 | C8 | C7 | H6 | 180.0° | 179.9° |
| C9 | C8 | C7 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | H7 | 179.6° | 179.7° |
| C8 | C7 | C6 | H4 | 179.2° | 180.0° |
| C7 | C8 | C9 | H25 | 179.9° | 179.8° |
| H2 | C4 | C34 | H24 | 150.9° | 65.0° |
| H3 | C4 | C34 | H24 | 31.2° | 175.0° |
| H4 | C6 | C7 | H5 | 0.8° | 0.0° |
| H5 | C7 | C8 | H6 | 0.1° | 0.1° |
| H6 | C8 | C9 | H25 | 0.1° | 0.3° |
| H7 | C10 | C9 | H25 | 0.4° | 0.2° |
| H8 | C13 | C12 | H19 | 0.3° | 0.2° |
| H9 | C15 | C16 | H18 | 1.0° | 0.0° |
| H10 | C17 | C22 | H12 | 0.0° | 0.0° |
| H10 | C17 | C18 | H31 | 0.1° | 0.1° |
| H11 | C20 | C19 | H30 | 0.1° | 0.2° |
| H13 | C24 | C25 | H16 | 0.1° | 0.1° |
| H14 | C26 | C25 | H16 | 0.1° | 0.1° |
| H14 | C26 | C27 | H17 | 0.0° | 0.6° |
| H15 | C28 | C27 | H17 | 0.4° | 0.1° |
| H20 | C29 | C30 | H22 | 176.1° | 65.0° |
| H21 | C29 | C30 | H22 | 56.8° | 175.0° |
| H22 | C30 | N31 | H23 | 146.6° | 0.0° |
| H26 | N37 | C38 | H27 | 168.6° | 145.0° |
| H27 | C38 | C39 | H28 | 152.7° | 65.0° |
| H27 | C38 | C39 | H29 | 85.6° | 175.0° |
| H30 | C19 | C18 | H31 | 0.1° | 0.2° |
| H32 | N42 | C43 | H33 | 169.0° | 145.6° |
| H33 | C43 | C44 | H34 | 60.9° | 180.0° |
| H33 | C43 | C44 | H35 | 179.1° | 60.0° |
| H33 | C43 | C44 | H36 | 59.1° | 60.0° |
| H33 | C43 | C45 | H37 | 86.0° | 57.8° |
| H34 | C44 | H35 | H36 | 120.0° | 120.0° |
| H37 | C45 | O46 | H38 | 65.0° | 180.0° |
| H37 | C45 | C47 | H39 | 18.8° | 176.0° |
| H39 | C47 | C48 | H40 | 59.5° | 175.8° |
| H39 | C47 | C48 | H41 | 179.5° | 64.2° |
| H39 | C47 | C48 | H42 | 60.5° | 55.8° |
| H39 | C47 | C49 | H43 | 60.3° | 65.0° |
| H39 | C47 | C49 | H44 | 60.3° | 175.0° |
| H40 | C48 | H41 | H42 | 120.0° | 120.0° |
| H43 | C49 | O50 | H45 | 60.3° | 59.9° |
| H44 | C49 | O50 | H45 | 60.4° | 60.1° |
