A1CEW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F48 | C47 | sing | 1.40Å | 1.40Å | |
| F49 | C47 | sing | 1.40Å | 1.40Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C47 | F50 | sing | 1.40Å | 1.39Å | |
| C47 | C43 | sing | 1.51Å | 1.50Å | |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| CL4 | C45 | sing | 1.74Å | 1.73Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | N11 | sing | 1.47Å | 1.48Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N11 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | sing | 1.48Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O10 | C4 | sing | 1.36Å | 1.36Å | |
| C45 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | N8 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| O38 | C37 | doub | 1.21Å | 1.22Å | |
| O34 | C33 | doub | 1.22Å | 1.22Å | |
| C51 | C19 | sing | 1.53Å | 1.54Å | |
| N8 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | N39 | sing | 1.40Å | 1.39Å | |
| C14 | O17 | sing | 1.43Å | 1.44Å | |
| C14 | C35 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C5 | C9 | sing | 1.51Å | 1.50Å | |
| C5 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.43Å | |
| C33 | C35 | sing | 1.41Å | 1.44Å | |
| C33 | N32 | sing | 1.34Å | 1.33Å | |
| C35 | C20 | doub | 1.35Å | 1.37Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | O28 | sing | 1.43Å | 1.44Å | |
| C30 | C25 | sing | 1.50Å | 1.51Å | |
| C7 | N6 | sing | 1.32Å | 1.32Å | Aromatic |
| C37 | N39 | sing | 1.35Å | 1.35Å | |
| C37 | C36 | sing | 1.51Å | 1.50Å | |
| N31 | N32 | sing | 1.40Å | 1.40Å | Aromatic |
| N31 | C24 | doub | 1.32Å | 1.31Å | Aromatic |
| N32 | C22 | sing | 1.36Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | N21 | sing | 1.37Å | 1.38Å | |
| C24 | C25 | sing | 1.48Å | 1.48Å | |
| C24 | N23 | sing | 1.34Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.37Å | 1.38Å | |
| C22 | N23 | doub | 1.32Å | 1.31Å | Aromatic |
| C25 | C26 | doub | 1.32Å | 1.32Å | |
| N21 | C36 | sing | 1.46Å | 1.47Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.50Å | 1.50Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| O10 | H20 | sing | 0.97Å | 0.95Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| N39 | H26 | sing | 0.97Å | 1.00Å | |
| C41 | H27 | sing | 1.08Å | 1.08Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| C44 | H29 | sing | 1.08Å | 1.08Å | |
| C51 | H30 | sing | 1.09Å | 1.10Å | |
| C51 | H31 | sing | 1.09Å | 1.10Å | |
| C51 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F48 | C47 | F49 | 111.2° | 109.5° |
| F48 | C47 | F50 | 107.7° | 109.5° |
| F48 | C47 | C43 | 108.5° | 109.4° |
| F49 | C47 | F50 | 110.5° | 109.5° |
| F49 | C47 | C43 | 107.3° | 109.5° |
| O1 | C2 | N11 | 121.3° | 120.0° |
| O1 | C2 | C3 | 115.3° | 120.0° |
| F50 | C47 | C43 | 111.6° | 109.5° |
| C47 | C43 | C44 | 118.2° | 120.0° |
| C47 | C43 | C42 | 121.3° | 119.9° |
| C43 | C44 | C45 | 120.5° | 120.0° |
| C44 | C43 | C42 | 120.5° | 120.1° |
| C43 | C44 | H29 | 119.8° | 119.9° |
| C44 | C45 | CL4 | 118.6° | 120.0° |
| C44 | C45 | C40 | 119.0° | 119.9° |
| C45 | C44 | H29 | 119.7° | 120.0° |
| CL4 | C45 | C40 | 122.3° | 120.1° |
| C15 | C16 | N11 | 113.8° | 108.8° |
| C16 | C15 | C14 | 112.2° | 109.3° |
| C16 | C15 | H4 | 108.8° | 109.5° |
| C16 | C15 | H5 | 108.8° | 109.5° |
| C15 | C16 | H6 | 108.4° | 109.6° |
| C15 | C16 | H7 | 108.4° | 109.6° |
| C16 | N11 | C2 | 119.2° | 120.6° |
| C16 | N11 | C12 | 118.0° | 118.7° |
| N11 | C16 | H6 | 108.4° | 109.6° |
| N11 | C16 | H7 | 108.4° | 109.6° |
| C43 | C42 | C41 | 119.2° | 120.1° |
| C43 | C42 | H28 | 120.4° | 119.9° |
| N11 | C2 | C3 | 123.4° | 120.0° |
| C2 | N11 | C12 | 122.8° | 120.7° |
| C2 | C3 | C4 | 122.7° | 120.6° |
| C2 | C3 | N8 | 118.1° | 120.6° |
| C15 | C14 | O17 | 106.4° | 109.3° |
| C15 | C14 | C35 | 109.2° | 109.3° |
| C15 | C14 | C13 | 108.4° | 109.4° |
| C14 | C15 | H4 | 108.8° | 109.5° |
| C14 | C15 | H5 | 108.8° | 109.5° |
| O10 | C4 | C3 | 121.1° | 120.9° |
| O10 | C4 | C5 | 121.5° | 121.0° |
| C4 | O10 | H20 | 109.5° | 114.0° |
| C45 | C40 | C41 | 120.2° | 119.9° |
| C45 | C40 | N39 | 124.0° | 120.0° |
| N11 | C12 | C13 | 113.4° | 108.8° |
| N11 | C12 | H2 | 108.5° | 109.6° |
| N11 | C12 | H3 | 108.5° | 109.7° |
| C4 | C3 | N8 | 119.2° | 118.8° |
| C3 | C4 | C5 | 117.4° | 118.1° |
| C3 | N8 | C7 | 120.7° | 120.8° |
| C4 | C5 | C9 | 120.6° | 120.4° |
| C4 | C5 | N6 | 119.5° | 119.1° |
| C42 | C41 | C40 | 120.5° | 119.9° |
| C42 | C41 | H27 | 119.8° | 120.0° |
| C41 | C42 | H28 | 120.4° | 120.0° |
| O38 | C37 | N39 | 122.7° | 120.0° |
| O38 | C37 | C36 | 121.2° | 120.0° |
| O34 | C33 | C35 | 124.4° | 120.0° |
| O34 | C33 | N32 | 115.1° | 120.0° |
| C51 | C19 | C20 | 110.3° | 109.3° |
| C51 | C19 | C18 | 110.7° | 109.4° |
| C51 | C19 | H10 | 108.3° | 109.4° |
| C19 | C51 | H30 | 109.5° | 109.4° |
| C19 | C51 | H31 | 109.5° | 109.4° |
| C19 | C51 | H32 | 109.4° | 109.4° |
| N8 | C7 | N6 | 122.7° | 122.1° |
| N8 | C7 | H1 | 118.7° | 119.0° |
| C41 | C40 | N39 | 115.8° | 120.1° |
| C40 | C41 | H27 | 119.7° | 120.0° |
| C40 | N39 | C37 | 123.3° | 120.0° |
| C40 | N39 | H26 | 118.3° | 120.0° |
| O17 | C14 | C35 | 112.8° | 110.2° |
| O17 | C14 | C13 | 108.7° | 109.3° |
| C14 | O17 | C18 | 116.7° | 113.0° |
| C35 | C14 | C13 | 111.2° | 109.3° |
| C14 | C35 | C33 | 120.8° | 118.5° |
| C14 | C35 | C20 | 121.1° | 121.9° |
| C14 | C13 | C12 | 112.9° | 109.3° |
| C14 | C13 | H21 | 108.6° | 109.6° |
| C14 | C13 | H22 | 108.6° | 109.5° |
| C9 | C5 | N6 | 119.9° | 120.5° |
| C5 | C9 | H17 | 109.5° | 109.5° |
| C5 | C9 | H18 | 109.4° | 109.5° |
| C5 | C9 | H19 | 109.5° | 109.5° |
| C5 | N6 | C7 | 120.6° | 121.1° |
| O17 | C18 | C19 | 107.6° | 108.4° |
| O17 | C18 | H8 | 109.9° | 109.7° |
| O17 | C18 | H9 | 109.9° | 109.6° |
| C35 | C33 | N32 | 120.5° | 120.0° |
| C33 | C35 | C20 | 118.0° | 119.5° |
| C33 | N32 | N31 | 131.6° | 133.1° |
| C33 | N32 | C22 | 121.0° | 120.3° |
| C35 | C20 | C19 | 120.3° | 121.7° |
| C35 | C20 | N21 | 120.0° | 119.8° |
| C13 | C12 | H2 | 108.5° | 109.6° |
| C13 | C12 | H3 | 108.5° | 109.6° |
| C12 | C13 | H21 | 108.6° | 109.5° |
| C12 | C13 | H22 | 108.6° | 109.5° |
| C30 | C29 | O28 | 108.8° | 108.5° |
| C29 | C30 | C25 | 110.3° | 109.6° |
| C29 | C30 | H13 | 109.3° | 109.4° |
| C29 | C30 | H14 | 109.3° | 109.5° |
| C30 | C29 | H24 | 109.6° | 109.6° |
| C30 | C29 | H25 | 109.6° | 109.6° |
| C29 | O28 | C27 | 114.3° | 113.0° |
| O28 | C29 | H24 | 109.6° | 109.6° |
| O28 | C29 | H25 | 109.7° | 109.7° |
| C30 | C25 | C24 | 118.2° | 118.9° |
| C30 | C25 | C26 | 121.9° | 122.3° |
| C25 | C30 | H13 | 109.2° | 109.5° |
| C25 | C30 | H14 | 109.3° | 109.4° |
| N6 | C7 | H1 | 118.7° | 118.9° |
| N39 | C37 | C36 | 116.1° | 120.0° |
| C37 | N39 | H26 | 118.4° | 120.0° |
| C37 | C36 | N21 | 111.3° | 109.5° |
| C37 | C36 | H15 | 109.0° | 109.5° |
| C37 | C36 | H16 | 109.0° | 109.4° |
| N32 | N31 | C24 | 106.6° | 106.8° |
| N31 | N32 | C22 | 107.4° | 106.6° |
| N31 | C24 | C25 | 125.1° | 125.5° |
| N31 | C24 | N23 | 108.5° | 109.1° |
| N32 | C22 | N21 | 120.4° | 119.9° |
| N32 | C22 | N23 | 107.0° | 107.7° |
| C19 | C20 | N21 | 119.7° | 118.6° |
| C20 | C19 | C18 | 110.4° | 109.9° |
| C20 | C19 | H10 | 108.5° | 109.4° |
| C20 | N21 | C22 | 120.1° | 120.6° |
| C20 | N21 | C36 | 123.6° | 119.7° |
| C25 | C24 | N23 | 126.4° | 125.4° |
| C24 | C25 | C26 | 119.9° | 118.8° |
| C24 | N23 | C22 | 110.5° | 109.7° |
| C19 | C18 | H8 | 109.9° | 109.7° |
| C19 | C18 | H9 | 109.9° | 109.7° |
| C18 | C19 | H10 | 108.6° | 109.4° |
| N21 | C22 | N23 | 132.6° | 132.4° |
| C22 | N21 | C36 | 116.2° | 119.7° |
| C25 | C26 | C27 | 123.0° | 122.7° |
| C25 | C26 | H23 | 118.5° | 118.7° |
| N21 | C36 | H15 | 109.0° | 109.4° |
| N21 | C36 | H16 | 109.0° | 109.5° |
| O28 | C27 | C26 | 110.3° | 110.0° |
| O28 | C27 | H11 | 109.3° | 109.3° |
| O28 | C27 | H12 | 109.3° | 109.3° |
| C26 | C27 | H11 | 109.2° | 109.3° |
| C26 | C27 | H12 | 109.2° | 109.4° |
| C27 | C26 | H23 | 118.5° | 118.6° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.8° |
| H8 | C18 | H9 | 109.5° | 109.7° |
| H11 | C27 | H12 | 109.5° | 109.4° |
| H13 | C30 | H14 | 109.5° | 109.4° |
| H15 | C36 | H16 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H19 | 109.4° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.8° |
| H30 | C51 | H31 | 109.4° | 109.5° |
| H30 | C51 | H32 | 109.5° | 109.5° |
| H31 | C51 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F48 | C47 | F49 | F50 | 119.6° | 120.0° |
| F48 | C47 | F49 | C43 | 118.5° | 120.0° |
| F48 | C47 | F50 | C43 | 119.0° | 120.0° |
| F48 | C47 | C43 | C44 | 48.3° | 30.0° |
| F48 | C47 | C43 | C42 | 132.1° | 150.0° |
| F49 | C47 | F50 | C43 | 119.3° | 120.0° |
| F49 | C47 | C43 | C44 | 72.0° | 150.0° |
| F49 | C47 | C43 | C42 | 107.6° | 29.9° |
| O1 | C2 | N11 | C16 | 1.6° | 2.9° |
| O1 | C2 | N11 | C3 | 179.7° | 179.8° |
| O1 | C2 | N11 | C12 | 179.2° | 177.2° |
| O1 | C2 | C3 | C4 | 71.2° | 24.7° |
| O1 | C2 | C3 | N8 | 108.5° | 155.6° |
| F50 | C47 | C43 | C44 | 166.8° | 90.0° |
| F50 | C47 | C43 | C42 | 13.6° | 90.1° |
| C47 | C43 | C44 | C42 | 179.6° | 179.9° |
| C47 | C43 | C44 | C45 | 179.8° | 179.8° |
| C47 | C43 | C42 | C41 | 180.0° | 180.0° |
| C47 | C43 | C42 | H28 | 0.0° | 0.1° |
| C47 | C43 | C44 | H29 | 0.2° | 0.0° |
| C43 | C44 | C45 | H29 | 180.0° | 179.8° |
| C43 | C44 | C45 | CL4 | 180.0° | 180.0° |
| C43 | C44 | C45 | C40 | 0.3° | 0.5° |
| C44 | C43 | C42 | C41 | 0.4° | 0.1° |
| C44 | C43 | C42 | H28 | 179.6° | 180.0° |
| C44 | C45 | CL4 | C40 | 179.7° | 179.5° |
| C45 | C44 | C43 | C42 | 0.6° | 0.3° |
| C44 | C45 | C40 | C41 | 0.3° | 0.5° |
| C44 | C45 | C40 | N39 | 180.0° | 179.7° |
| CL4 | C45 | C40 | C41 | 179.5° | 179.9° |
| CL4 | C45 | C40 | N39 | 0.2° | 0.2° |
| CL4 | C45 | C44 | H29 | 0.0° | 0.2° |
| C15 | C16 | N11 | H6 | 120.6° | 119.8° |
| C15 | C16 | N11 | H7 | 120.6° | 119.8° |
| C15 | C16 | N11 | C2 | 141.3° | 126.4° |
| C16 | C15 | C14 | H4 | 120.4° | 119.9° |
| C16 | C15 | C14 | H5 | 120.4° | 120.0° |
| C15 | C16 | N11 | C12 | 41.0° | 53.6° |
| C16 | C15 | C14 | O17 | 58.9° | 58.3° |
| C16 | C15 | C14 | C35 | 179.1° | 178.9° |
| C16 | C15 | C14 | C13 | 57.8° | 61.5° |
| C16 | C15 | H4 | H5 | 118.8° | 120.1° |
| C15 | C16 | H6 | H7 | 118.1° | 120.4° |
| C16 | N11 | C2 | C12 | 177.6° | 180.0° |
| C16 | N11 | C2 | C3 | 178.2° | 176.9° |
| N11 | C16 | C15 | C14 | 50.3° | 54.7° |
| C16 | N11 | C12 | C13 | 39.4° | 53.6° |
| C16 | N11 | C12 | H2 | 81.1° | 66.2° |
| C16 | N11 | C12 | H3 | 160.0° | 173.5° |
| N11 | C16 | C15 | H4 | 70.1° | 65.2° |
| N11 | C16 | C15 | H5 | 170.7° | 174.7° |
| N11 | C16 | H6 | H7 | 118.0° | 120.4° |
| C43 | C42 | C41 | H28 | 180.0° | 179.9° |
| C43 | C42 | C41 | C40 | 0.2° | 0.1° |
| C43 | C42 | C41 | H27 | 179.8° | 179.9° |
| C42 | C43 | C44 | H29 | 179.4° | 179.9° |
| N11 | C2 | C3 | C4 | 109.0° | 155.6° |
| N11 | C2 | C3 | N8 | 71.2° | 24.2° |
| C2 | N11 | C12 | C13 | 142.9° | 126.4° |
| C2 | N11 | C12 | H2 | 96.5° | 113.7° |
| C2 | N11 | C12 | H3 | 22.4° | 6.6° |
| C2 | N11 | C16 | H6 | 98.1° | 113.8° |
| C2 | N11 | C16 | H7 | 20.6° | 6.7° |
| C2 | C3 | C4 | O10 | 0.0° | 0.0° |
| C3 | C2 | N11 | C12 | 0.5° | 3.1° |
| C2 | C3 | C4 | N8 | 179.7° | 179.7° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C2 | C3 | N8 | C7 | 179.6° | 179.7° |
| C15 | C14 | O17 | C35 | 119.7° | 120.1° |
| C15 | C14 | O17 | C13 | 116.5° | 119.8° |
| C15 | C14 | C35 | C13 | 119.6° | 119.7° |
| C15 | C14 | O17 | C18 | 157.2° | 68.5° |
| C15 | C14 | C35 | C33 | 57.8° | 76.0° |
| C15 | C14 | C35 | C20 | 122.1° | 103.6° |
| C15 | C14 | C13 | C12 | 56.7° | 61.4° |
| C14 | C15 | H4 | H5 | 118.8° | 120.1° |
| C14 | C15 | C16 | H6 | 70.4° | 65.0° |
| C14 | C15 | C16 | H7 | 170.9° | 174.5° |
| C15 | C14 | C13 | H21 | 63.8° | 178.6° |
| C15 | C14 | C13 | H22 | 177.2° | 58.5° |
| O10 | C4 | C3 | C5 | 179.4° | 180.0° |
| O10 | C4 | C3 | N8 | 179.7° | 179.8° |
| O10 | C4 | C5 | C9 | 0.5° | 0.0° |
| O10 | C4 | C5 | N6 | 179.8° | 180.0° |
| C45 | C40 | C41 | C42 | 0.5° | 0.3° |
| C45 | C40 | C41 | N39 | 179.7° | 179.7° |
| C45 | C40 | N39 | C37 | 61.4° | 149.6° |
| C45 | C40 | N39 | H26 | 118.5° | 30.4° |
| C45 | C40 | C41 | H27 | 179.5° | 179.8° |
| C40 | C45 | C44 | H29 | 179.7° | 179.7° |
| N11 | C12 | C13 | C14 | 47.6° | 54.7° |
| N11 | C12 | C13 | H2 | 120.6° | 119.9° |
| N11 | C12 | C13 | H3 | 120.6° | 120.0° |
| N11 | C12 | H2 | H3 | 118.2° | 120.4° |
| C12 | N11 | C16 | H6 | 79.6° | 66.1° |
| C12 | N11 | C16 | H7 | 161.6° | 173.4° |
| N11 | C12 | C13 | H21 | 72.9° | 174.7° |
| N11 | C12 | C13 | H22 | 168.0° | 65.2° |
| C4 | C3 | N8 | C7 | 0.2° | 0.6° |
| C3 | C4 | C5 | C9 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 0.3° | 0.0° |
| C3 | C4 | O10 | H20 | 180.0° | 90.0° |
| N8 | C3 | C4 | C5 | 0.3° | 0.3° |
| C3 | N8 | C7 | N6 | 0.1° | 0.6° |
| C3 | N8 | C7 | H1 | 179.9° | 179.7° |
| C4 | C5 | C9 | N6 | 179.7° | 180.0° |
| C4 | C5 | N6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C9 | H17 | 179.6° | 90.0° |
| C4 | C5 | C9 | H18 | 60.3° | 150.0° |
| C4 | C5 | C9 | H19 | 59.7° | 30.0° |
| C5 | C4 | O10 | H20 | 0.6° | 90.0° |
| C42 | C41 | C40 | H27 | 180.0° | 179.8° |
| C42 | C41 | C40 | N39 | 179.8° | 179.9° |
| O38 | C37 | N39 | C40 | 1.7° | 0.6° |
| O38 | C37 | N39 | C36 | 179.6° | 180.0° |
| O38 | C37 | C36 | N21 | 17.0° | 6.9° |
| O38 | C37 | C36 | H15 | 103.3° | 113.1° |
| O38 | C37 | C36 | H16 | 137.2° | 127.0° |
| O38 | C37 | N39 | H26 | 178.3° | 179.4° |
| O34 | C33 | C35 | C14 | 0.2° | 0.8° |
| O34 | C33 | C35 | N32 | 179.7° | 180.0° |
| O34 | C33 | C35 | C20 | 179.9° | 179.6° |
| O34 | C33 | N32 | N31 | 0.1° | 0.0° |
| O34 | C33 | N32 | C22 | 179.8° | 179.9° |
| C51 | C19 | C18 | O17 | 67.2° | 168.8° |
| C51 | C19 | C20 | C35 | 96.5° | 137.2° |
| C51 | C19 | C20 | C18 | 122.6° | 120.1° |
| C51 | C19 | C20 | H10 | 118.5° | 119.7° |
| C51 | C19 | C20 | N21 | 82.5° | 42.8° |
| C51 | C19 | C18 | H10 | 118.8° | 119.8° |
| C51 | C19 | C18 | H8 | 52.5° | 71.4° |
| C51 | C19 | C18 | H9 | 173.0° | 49.1° |
| C19 | C51 | H30 | H31 | 120.0° | 119.9° |
| C19 | C51 | H30 | H32 | 120.0° | 120.0° |
| C19 | C51 | H31 | H32 | 120.0° | 120.0° |
| N8 | C7 | N6 | C5 | 0.2° | 0.3° |
| N8 | C7 | N6 | H1 | 180.0° | 179.7° |
| C41 | C40 | N39 | C37 | 118.8° | 30.1° |
| C41 | C40 | N39 | H26 | 61.2° | 149.8° |
| C40 | C41 | C42 | H28 | 179.9° | 180.0° |
| C40 | N39 | C37 | H26 | 180.0° | 180.0° |
| C40 | N39 | C37 | C36 | 178.6° | 179.4° |
| N39 | C40 | C41 | H27 | 0.2° | 0.1° |
| O17 | C14 | C35 | C13 | 122.4° | 120.2° |
| O17 | C14 | C35 | C33 | 175.8° | 163.9° |
| O17 | C14 | C35 | C20 | 4.0° | 16.5° |
| O17 | C14 | C13 | C12 | 58.5° | 58.3° |
| C14 | O17 | C18 | C19 | 64.1° | 69.8° |
| O17 | C14 | C15 | H4 | 179.3° | 178.2° |
| O17 | C14 | C15 | H5 | 61.5° | 61.7° |
| C14 | O17 | C18 | H8 | 176.2° | 170.4° |
| C14 | O17 | C18 | H9 | 55.7° | 49.9° |
| O17 | C14 | C13 | H21 | 179.0° | 61.7° |
| O17 | C14 | C13 | H22 | 61.9° | 178.2° |
| C35 | C14 | O17 | C18 | 37.5° | 51.6° |
| C14 | C35 | C33 | C20 | 179.9° | 179.6° |
| C14 | C35 | C33 | N32 | 179.9° | 179.2° |
| C35 | C14 | C13 | C12 | 176.7° | 179.0° |
| C14 | C35 | C20 | C19 | 0.3° | 1.0° |
| C14 | C35 | C20 | N21 | 179.3° | 179.0° |
| C35 | C14 | C15 | H4 | 58.7° | 61.1° |
| C35 | C14 | C15 | H5 | 60.5° | 59.0° |
| C35 | C14 | C13 | H21 | 56.3° | 59.0° |
| C35 | C14 | C13 | H22 | 62.8° | 61.1° |
| C13 | C14 | O17 | C18 | 86.2° | 171.7° |
| C13 | C14 | C35 | C33 | 61.8° | 43.7° |
| C13 | C14 | C35 | C20 | 118.3° | 136.7° |
| C14 | C13 | C12 | H21 | 120.5° | 120.0° |
| C14 | C13 | C12 | H22 | 120.5° | 119.9° |
| C14 | C13 | C12 | H2 | 73.0° | 65.2° |
| C14 | C13 | C12 | H3 | 168.1° | 174.7° |
| C13 | C14 | C15 | H4 | 62.6° | 58.5° |
| C13 | C14 | C15 | H5 | 178.2° | 178.5° |
| C14 | C13 | H21 | H22 | 118.5° | 120.1° |
| C9 | C5 | N6 | C7 | 180.0° | 180.0° |
| C5 | C9 | H17 | H18 | 120.0° | 120.0° |
| C5 | C9 | H17 | H19 | 120.0° | 120.0° |
| C5 | C9 | H18 | H19 | 120.0° | 120.0° |
| C5 | N6 | C7 | H1 | 179.8° | 180.0° |
| N6 | C5 | C9 | H17 | 0.0° | 90.0° |
| N6 | C5 | C9 | H18 | 120.0° | 30.0° |
| N6 | C5 | C9 | H19 | 120.0° | 150.0° |
| O17 | C18 | C19 | C20 | 55.2° | 48.7° |
| O17 | C18 | C19 | H8 | 119.7° | 119.8° |
| O17 | C18 | C19 | H9 | 119.7° | 119.7° |
| O17 | C18 | H8 | H9 | 120.9° | 120.5° |
| O17 | C18 | C19 | H10 | 174.0° | 71.4° |
| C35 | C33 | N32 | N31 | 179.6° | 180.0° |
| C35 | C33 | N32 | C22 | 0.1° | 0.1° |
| C33 | C35 | C20 | C19 | 179.6° | 179.4° |
| C33 | C35 | C20 | N21 | 0.6° | 0.6° |
| N32 | C33 | C35 | C20 | 0.2° | 0.4° |
| C33 | N32 | N31 | C22 | 179.7° | 179.9° |
| C33 | N32 | N31 | C24 | 179.9° | 179.9° |
| C33 | N32 | C22 | N21 | 0.9° | 0.1° |
| C33 | N32 | C22 | N23 | 179.8° | 179.9° |
| C35 | C20 | C19 | N21 | 179.0° | 180.0° |
| C35 | C20 | C19 | C18 | 26.1° | 17.1° |
| C35 | C20 | N21 | C22 | 1.5° | 0.4° |
| C35 | C20 | N21 | C36 | 176.1° | 179.6° |
| C35 | C20 | C19 | H10 | 145.0° | 103.0° |
| C13 | C12 | H2 | H3 | 118.2° | 120.2° |
| C12 | C13 | H21 | H22 | 118.5° | 120.0° |
| C30 | C29 | O28 | H24 | 119.9° | 119.7° |
| C30 | C29 | O28 | H25 | 119.9° | 119.7° |
| C29 | C30 | C25 | H13 | 120.1° | 120.0° |
| C29 | C30 | C25 | H14 | 120.1° | 120.1° |
| C29 | C30 | C25 | C24 | 163.7° | 163.5° |
| C29 | C30 | C25 | C26 | 16.0° | 16.6° |
| C30 | C29 | O28 | C27 | 66.5° | 68.7° |
| C29 | C30 | H13 | H14 | 119.6° | 120.0° |
| C30 | C29 | H24 | H25 | 120.3° | 120.5° |
| O28 | C29 | C30 | C25 | 46.4° | 48.1° |
| C29 | O28 | C27 | C26 | 48.9° | 50.5° |
| C29 | O28 | C27 | H11 | 169.1° | 170.6° |
| C29 | O28 | C27 | H12 | 71.2° | 69.6° |
| O28 | C29 | C30 | H13 | 166.5° | 72.0° |
| O28 | C29 | C30 | H14 | 73.8° | 168.1° |
| O28 | C29 | H24 | H25 | 120.4° | 120.6° |
| C30 | C25 | C24 | N31 | 11.6° | 0.1° |
| C30 | C25 | C24 | C26 | 179.7° | 179.9° |
| C30 | C25 | C24 | N23 | 168.1° | 180.0° |
| C30 | C25 | C26 | C27 | 0.0° | 0.5° |
| C25 | C30 | H13 | H14 | 119.6° | 119.9° |
| C30 | C25 | C26 | H23 | 180.0° | 179.6° |
| C25 | C30 | C29 | H24 | 166.2° | 71.6° |
| C25 | C30 | C29 | H25 | 73.6° | 167.8° |
| N39 | C37 | C36 | N21 | 162.7° | 173.1° |
| N39 | C37 | C36 | H15 | 77.0° | 66.9° |
| N39 | C37 | C36 | H16 | 42.4° | 53.1° |
| C37 | C36 | N21 | C20 | 96.3° | 95.3° |
| C37 | C36 | N21 | C22 | 81.3° | 84.6° |
| C37 | C36 | N21 | H15 | 120.3° | 120.0° |
| C37 | C36 | N21 | H16 | 120.3° | 120.0° |
| C37 | C36 | H15 | H16 | 119.1° | 120.0° |
| C36 | C37 | N39 | H26 | 1.4° | 0.6° |
| N32 | N31 | C24 | C25 | 179.9° | 179.9° |
| N32 | N31 | C24 | N23 | 0.1° | 0.1° |
| N31 | N32 | C22 | N21 | 179.3° | 179.9° |
| N31 | N32 | C22 | N23 | 0.4° | 0.2° |
| C24 | N31 | N32 | C22 | 0.2° | 0.2° |
| N31 | C24 | C25 | N23 | 179.8° | 179.9° |
| N31 | C24 | N23 | C22 | 0.4° | 0.0° |
| N31 | C24 | C25 | C26 | 168.7° | 179.8° |
| N32 | C22 | N21 | C20 | 1.7° | 0.1° |
| N32 | C22 | N23 | C24 | 0.5° | 0.1° |
| N32 | C22 | N21 | N23 | 178.6° | 179.9° |
| N32 | C22 | N21 | C36 | 176.1° | 179.9° |
| C20 | C19 | C18 | H10 | 118.8° | 120.1° |
| C19 | C20 | N21 | C22 | 179.4° | 179.5° |
| C19 | C20 | N21 | C36 | 2.9° | 0.5° |
| C20 | C19 | C18 | H8 | 174.9° | 168.5° |
| C20 | C19 | C18 | H9 | 64.6° | 70.9° |
| C20 | C19 | C51 | H30 | 180.0° | 138.5° |
| C20 | C19 | C51 | H31 | 60.0° | 101.5° |
| C20 | C19 | C51 | H32 | 60.0° | 18.5° |
| N21 | C20 | C19 | C18 | 154.9° | 163.0° |
| C20 | N21 | C22 | C36 | 177.8° | 180.0° |
| C20 | N21 | C22 | N23 | 179.7° | 180.0° |
| N21 | C20 | C19 | H10 | 36.0° | 76.9° |
| C20 | N21 | C36 | H15 | 143.4° | 144.7° |
| C20 | N21 | C36 | H16 | 23.9° | 24.7° |
| C25 | C24 | N23 | C22 | 179.8° | 179.9° |
| C24 | C25 | C26 | C27 | 179.6° | 179.6° |
| C24 | C25 | C30 | H13 | 43.5° | 76.6° |
| C24 | C25 | C30 | H14 | 76.2° | 43.4° |
| C24 | C25 | C26 | H23 | 0.4° | 0.3° |
| C24 | N23 | C22 | N21 | 179.2° | 180.0° |
| N23 | C24 | C25 | C26 | 11.5° | 0.1° |
| C19 | C18 | H8 | H9 | 120.8° | 120.6° |
| C18 | C19 | C51 | H30 | 57.6° | 18.1° |
| C18 | C19 | C51 | H31 | 177.6° | 138.1° |
| C18 | C19 | C51 | H32 | 62.4° | 101.9° |
| C22 | N21 | C36 | H15 | 38.9° | 35.4° |
| C22 | N21 | C36 | H16 | 158.4° | 155.4° |
| N23 | C22 | N21 | C36 | 2.5° | 0.0° |
| C25 | C26 | C27 | O28 | 14.8° | 15.8° |
| C25 | C26 | C27 | H23 | 180.0° | 179.9° |
| C25 | C26 | C27 | H11 | 134.9° | 135.8° |
| C25 | C26 | C27 | H12 | 105.4° | 104.3° |
| C26 | C25 | C30 | H13 | 136.1° | 103.3° |
| C26 | C25 | C30 | H14 | 104.1° | 136.7° |
| N21 | C36 | H15 | H16 | 119.2° | 120.0° |
| O28 | C27 | C26 | H11 | 120.1° | 120.1° |
| O28 | C27 | C26 | H12 | 120.2° | 120.1° |
| O28 | C27 | H11 | H12 | 119.6° | 119.7° |
| O28 | C27 | C26 | H23 | 165.2° | 164.3° |
| C27 | O28 | C29 | H24 | 173.6° | 50.9° |
| C27 | O28 | C29 | H25 | 53.4° | 171.6° |
| C26 | C27 | H11 | H12 | 119.6° | 119.9° |
| H2 | C12 | C13 | H21 | 166.5° | 54.9° |
| H2 | C12 | C13 | H22 | 47.5° | 174.9° |
| H3 | C12 | C13 | H21 | 47.6° | 65.3° |
| H3 | C12 | C13 | H22 | 71.4° | 54.7° |
| H4 | C15 | C16 | H6 | 169.3° | 175.1° |
| H4 | C15 | C16 | H7 | 50.5° | 54.6° |
| H5 | C15 | C16 | H6 | 50.1° | 55.0° |
| H5 | C15 | C16 | H7 | 68.7° | 65.5° |
| H8 | C18 | C19 | H10 | 66.3° | 48.4° |
| H9 | C18 | C19 | H10 | 54.3° | 168.9° |
| H10 | C19 | C51 | H30 | 61.3° | 101.7° |
| H10 | C19 | C51 | H31 | 58.7° | 18.3° |
| H10 | C19 | C51 | H32 | 178.7° | 138.3° |
| H11 | C27 | C26 | H23 | 45.1° | 44.3° |
| H12 | C27 | C26 | H23 | 74.6° | 75.6° |
| H13 | C30 | C29 | H24 | 73.7° | 168.4° |
| H13 | C30 | C29 | H25 | 46.6° | 47.8° |
| H14 | C30 | C29 | H24 | 46.1° | 48.4° |
| H14 | C30 | C29 | H25 | 166.3° | 72.2° |
| H17 | C9 | H18 | H19 | 120.0° | 120.0° |
| H27 | C41 | C42 | H28 | 0.1° | 0.2° |
| H30 | C51 | H31 | H32 | 120.0° | 120.1° |
