A1H5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C18 | sing | 1.35Å | 1.36Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | N35 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.48Å | 1.49Å | |
| C20 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| CL47 | C46 | sing | 1.74Å | 1.73Å | |
| N5 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C6 | sing | 1.31Å | 1.34Å | Aromatic |
| C4 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| O41 | C40 | doub | 1.21Å | 1.22Å | |
| C21 | C46 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | N22 | sing | 1.33Å | 1.34Å | Aromatic |
| C46 | C45 | sing | 1.37Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | F15 | sing | 1.35Å | 1.35Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | N30 | sing | 1.47Å | 1.48Å | |
| N22 | C23 | doub | 1.32Å | 1.33Å | Aromatic |
| C45 | C44 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.39Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C44 | sing | 1.41Å | 1.40Å | Aromatic |
| C23 | N24 | sing | 1.37Å | 1.38Å | |
| N35 | C40 | sing | 1.35Å | 1.35Å | |
| N35 | C32 | sing | 1.47Å | 1.48Å | |
| C40 | C42 | sing | 1.51Å | 1.52Å | |
| C44 | C29 | sing | 1.47Å | 1.45Å | |
| C25 | N24 | sing | 1.40Å | 1.45Å | |
| C25 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| N24 | C26 | sing | 1.37Å | 1.41Å | |
| C34 | C32 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| N30 | C29 | sing | 1.37Å | 1.38Å | |
| N30 | C31 | sing | 1.47Å | 1.46Å | |
| C29 | N28 | doub | 1.32Å | 1.33Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N28 | sing | 1.32Å | 1.36Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C8 | O9 | sing | 1.35Å | 1.37Å | |
| O12 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| O9 | C10 | sing | 1.43Å | 1.44Å | |
| C1 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | H50 | sing | 1.09Å | 1.10Å | |
| C1 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | H51 | sing | 1.09Å | 1.10Å | |
| C3 | H52 | sing | 1.09Å | 1.10Å | |
| C3 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | H54 | sing | 1.09Å | 1.10Å | |
| C6 | H55 | sing | 1.08Å | 1.08Å | |
| C7 | H56 | sing | 1.08Å | 1.08Å | |
| C10 | H58 | sing | 1.09Å | 1.10Å | |
| C10 | H57 | sing | 1.10Å | 1.10Å | |
| C11 | H60 | sing | 1.09Å | 1.10Å | |
| C11 | H59 | sing | 1.09Å | 1.10Å | |
| C16 | H61 | sing | 1.08Å | 1.08Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | H1 | sing | 1.09Å | 1.10Å | |
| C43 | H74 | sing | 1.09Å | 1.10Å | |
| C43 | H75 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å | |
| C17 | H62 | sing | 1.08Å | 1.08Å | |
| C45 | H76 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F19 | C18 | C17 | 118.7° | 118.0° |
| F19 | C18 | C20 | 118.4° | 121.2° |
| C3 | C2 | C1 | 110.4° | 109.5° |
| C3 | C2 | C4 | 108.7° | 109.5° |
| C3 | C2 | H51 | 108.5° | 109.4° |
| C2 | C3 | H52 | 109.5° | 109.4° |
| C2 | C3 | H53 | 109.5° | 109.5° |
| C2 | C3 | H54 | 109.5° | 109.5° |
| C18 | C17 | C16 | 119.0° | 120.4° |
| C17 | C18 | C20 | 122.9° | 120.7° |
| C18 | C17 | H62 | 120.5° | 119.7° |
| C17 | C16 | C14 | 119.1° | 119.4° |
| C17 | C16 | H61 | 120.5° | 120.5° |
| C16 | C17 | H62 | 120.5° | 119.9° |
| C18 | C20 | C21 | 123.7° | 120.3° |
| C18 | C20 | C13 | 117.6° | 118.4° |
| C1 | C2 | C4 | 112.1° | 109.5° |
| C2 | C1 | H49 | 109.5° | 109.4° |
| C2 | C1 | H50 | 109.5° | 109.5° |
| C2 | C1 | H48 | 109.5° | 109.5° |
| C1 | C2 | H51 | 108.5° | 109.4° |
| C16 | C14 | C13 | 121.8° | 121.0° |
| C16 | C14 | F15 | 119.5° | 119.3° |
| C14 | C16 | H61 | 120.5° | 120.1° |
| C2 | C4 | N5 | 117.7° | 117.4° |
| C2 | C4 | C25 | 121.4° | 121.9° |
| C4 | C2 | H51 | 108.6° | 109.5° |
| C37 | C36 | N35 | 110.1° | 108.6° |
| C36 | C37 | C39 | 109.1° | 109.6° |
| C36 | C37 | N30 | 108.6° | 108.6° |
| C37 | C36 | H68 | 109.3° | 109.6° |
| C37 | C36 | H69 | 109.3° | 109.6° |
| C36 | C37 | H38 | 109.1° | 109.6° |
| C36 | N35 | C40 | 118.7° | 120.6° |
| C36 | N35 | C32 | 116.1° | 118.7° |
| N35 | C36 | H68 | 109.3° | 109.6° |
| N35 | C36 | H69 | 109.3° | 109.6° |
| C21 | C20 | C13 | 118.7° | 121.3° |
| C20 | C21 | C46 | 122.6° | 119.3° |
| C20 | C21 | N22 | 115.4° | 120.2° |
| C20 | C13 | C14 | 119.7° | 119.7° |
| C20 | C13 | O12 | 117.3° | 120.7° |
| CL47 | C46 | C21 | 122.0° | 121.2° |
| CL47 | C46 | C45 | 117.6° | 118.4° |
| C4 | N5 | C6 | 118.7° | 122.6° |
| N5 | C4 | C25 | 120.9° | 120.7° |
| N5 | C6 | C7 | 124.3° | 120.2° |
| N5 | C6 | H55 | 117.9° | 120.0° |
| C4 | C25 | N24 | 120.4° | 120.4° |
| C4 | C25 | C8 | 119.6° | 117.6° |
| O41 | C40 | N35 | 120.1° | 120.0° |
| O41 | C40 | C42 | 120.5° | 120.0° |
| C46 | C21 | N22 | 122.0° | 120.3° |
| C21 | C46 | C45 | 120.4° | 120.3° |
| C21 | N22 | C23 | 117.2° | 121.7° |
| C46 | C45 | C44 | 118.8° | 117.0° |
| C46 | C45 | H76 | 120.6° | 120.9° |
| C13 | C14 | F15 | 118.7° | 119.7° |
| C14 | C13 | O12 | 123.1° | 119.6° |
| C39 | C37 | N30 | 111.4° | 109.5° |
| C39 | C37 | H38 | 109.0° | 109.7° |
| C37 | C39 | H72 | 109.5° | 109.4° |
| C37 | C39 | H70 | 109.5° | 109.5° |
| C37 | C39 | H71 | 109.5° | 109.5° |
| C37 | N30 | C29 | 124.0° | 120.6° |
| C37 | N30 | C31 | 116.0° | 118.8° |
| N30 | C37 | H38 | 109.6° | 109.8° |
| N22 | C23 | C44 | 124.7° | 119.1° |
| N22 | C23 | N24 | 116.8° | 123.8° |
| C45 | C44 | C23 | 116.8° | 119.9° |
| C45 | C44 | C29 | 126.1° | 121.3° |
| C44 | C45 | H76 | 120.6° | 122.1° |
| C13 | O12 | C11 | 116.3° | 116.4° |
| C6 | C7 | C8 | 117.5° | 119.6° |
| C7 | C6 | H55 | 117.9° | 119.8° |
| C6 | C7 | H56 | 121.3° | 118.4° |
| C44 | C23 | N24 | 118.5° | 117.0° |
| C23 | C44 | C29 | 117.1° | 118.8° |
| C23 | N24 | C25 | 120.3° | 126.6° |
| C23 | N24 | C26 | 120.6° | 118.1° |
| C40 | N35 | C32 | 125.1° | 120.7° |
| N35 | C40 | C42 | 119.4° | 120.0° |
| N35 | C32 | C34 | 111.2° | 109.6° |
| N35 | C32 | C31 | 109.1° | 108.6° |
| N35 | C32 | H33 | 109.0° | 109.6° |
| C40 | C42 | C43 | 112.1° | 109.5° |
| C40 | C42 | H77 | 108.8° | 109.5° |
| C40 | C42 | H73 | 108.8° | 109.5° |
| C44 | C29 | N30 | 123.8° | 121.5° |
| C44 | C29 | N28 | 121.5° | 117.5° |
| N24 | C25 | C8 | 120.0° | 121.8° |
| C25 | N24 | C26 | 117.4° | 115.2° |
| C25 | C8 | C7 | 119.1° | 118.7° |
| C25 | C8 | O9 | 116.0° | 120.6° |
| N24 | C26 | N28 | 118.9° | 122.2° |
| N24 | C26 | O27 | 118.6° | 118.9° |
| C34 | C32 | C31 | 110.5° | 109.6° |
| C34 | C32 | H33 | 108.5° | 109.8° |
| C32 | C34 | H65 | 109.5° | 109.5° |
| C32 | C34 | H66 | 109.5° | 109.4° |
| C32 | C34 | H67 | 109.5° | 109.5° |
| C43 | C42 | H77 | 108.8° | 109.5° |
| C43 | C42 | H73 | 108.8° | 109.5° |
| C42 | C43 | H1 | 109.5° | 109.4° |
| C42 | C43 | H74 | 109.4° | 109.5° |
| C42 | C43 | H75 | 109.5° | 109.4° |
| C29 | N30 | C31 | 118.6° | 120.6° |
| N30 | C29 | N28 | 114.7° | 121.0° |
| N30 | C31 | C32 | 110.0° | 108.8° |
| N30 | C31 | H63 | 109.4° | 109.6° |
| N30 | C31 | H64 | 109.3° | 109.6° |
| C29 | N28 | C26 | 120.6° | 121.6° |
| C7 | C8 | O9 | 124.9° | 120.6° |
| C8 | C7 | H56 | 121.3° | 122.0° |
| N28 | C26 | O27 | 122.5° | 118.8° |
| C32 | C31 | H63 | 109.4° | 109.6° |
| C32 | C31 | H64 | 109.3° | 109.6° |
| C31 | C32 | H33 | 108.4° | 109.6° |
| C8 | O9 | C10 | 119.3° | 119.3° |
| O12 | C11 | C10 | 109.4° | 109.5° |
| O12 | C11 | H60 | 109.5° | 109.7° |
| O12 | C11 | H59 | 109.5° | 109.8° |
| C11 | C10 | O9 | 111.3° | 109.3° |
| C11 | C10 | H58 | 109.0° | 109.8° |
| C11 | C10 | H57 | 109.0° | 109.2° |
| C10 | C11 | H60 | 109.5° | 109.7° |
| C10 | C11 | H59 | 109.5° | 109.0° |
| O9 | C10 | H58 | 109.0° | 111.6° |
| O9 | C10 | H57 | 109.0° | 109.6° |
| H49 | C1 | H50 | 109.5° | 109.4° |
| H49 | C1 | H48 | 109.5° | 109.5° |
| H50 | C1 | H48 | 109.5° | 109.5° |
| H52 | C3 | H53 | 109.5° | 109.5° |
| H52 | C3 | H54 | 109.5° | 109.5° |
| H53 | C3 | H54 | 109.5° | 109.5° |
| H58 | C10 | H57 | 109.5° | 107.3° |
| H60 | C11 | H59 | 109.5° | 109.2° |
| H63 | C31 | H64 | 109.5° | 109.6° |
| H68 | C36 | H69 | 109.5° | 109.7° |
| H72 | C39 | H70 | 109.5° | 109.5° |
| H72 | C39 | H71 | 109.5° | 109.5° |
| H70 | C39 | H71 | 109.5° | 109.5° |
| H77 | C42 | H73 | 109.4° | 109.4° |
| H1 | C43 | H74 | 109.5° | 109.5° |
| H1 | C43 | H75 | 109.4° | 109.5° |
| H74 | C43 | H75 | 109.5° | 109.5° |
| H65 | C34 | H66 | 109.4° | 109.5° |
| H65 | C34 | H67 | 109.4° | 109.5° |
| H66 | C34 | H67 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C18 | C17 | C20 | 180.0° | 175.9° |
| F19 | C18 | C17 | C16 | 180.0° | 174.2° |
| F19 | C18 | C20 | C21 | 0.1° | 9.9° |
| F19 | C18 | C20 | C13 | 180.0° | 169.6° |
| F19 | C18 | C17 | H62 | 0.0° | 6.0° |
| C3 | C2 | C1 | C4 | 121.4° | 120.0° |
| C3 | C2 | C1 | H51 | 118.7° | 119.9° |
| C3 | C2 | C4 | H51 | 117.9° | 119.9° |
| C3 | C2 | C4 | N5 | 85.9° | 60.4° |
| C3 | C2 | C4 | C25 | 94.0° | 120.0° |
| C3 | C2 | C1 | H49 | 180.0° | 60.0° |
| C3 | C2 | C1 | H50 | 60.0° | 59.9° |
| C3 | C2 | C1 | H48 | 60.0° | 180.0° |
| C2 | C3 | H52 | H53 | 120.0° | 120.0° |
| C2 | C3 | H52 | H54 | 120.0° | 120.0° |
| C2 | C3 | H53 | H54 | 120.0° | 120.0° |
| C18 | C17 | C16 | H62 | 180.0° | 179.7° |
| C18 | C17 | C16 | C14 | 0.0° | 1.6° |
| C17 | C18 | C20 | C21 | 180.0° | 174.2° |
| C17 | C18 | C20 | C13 | 0.0° | 6.2° |
| C18 | C17 | C16 | H61 | 180.0° | 178.6° |
| C16 | C17 | C18 | C20 | 0.1° | 1.7° |
| C17 | C16 | C14 | H61 | 180.0° | 179.8° |
| C17 | C16 | C14 | C13 | 0.0° | 0.2° |
| C17 | C16 | C14 | F15 | 180.0° | 179.3° |
| C18 | C20 | C21 | C13 | 179.9° | 179.5° |
| C18 | C20 | C21 | C46 | 63.9° | 24.2° |
| C18 | C20 | C21 | N22 | 116.4° | 151.1° |
| C18 | C20 | C13 | C14 | 0.0° | 7.5° |
| C18 | C20 | C13 | O12 | 179.9° | 173.9° |
| C20 | C18 | C17 | H62 | 179.9° | 178.0° |
| C1 | C2 | C4 | H51 | 119.8° | 120.0° |
| C1 | C2 | C4 | N5 | 36.4° | 59.7° |
| C1 | C2 | C4 | C25 | 143.7° | 120.0° |
| C2 | C1 | H49 | H50 | 120.0° | 120.0° |
| C2 | C1 | H49 | H48 | 120.0° | 120.0° |
| C2 | C1 | H50 | H48 | 120.0° | 120.0° |
| C1 | C2 | C3 | H52 | 180.0° | 60.0° |
| C1 | C2 | C3 | H53 | 60.0° | 180.0° |
| C1 | C2 | C3 | H54 | 60.0° | 59.9° |
| C16 | C14 | C13 | C20 | 0.1° | 4.4° |
| C16 | C14 | C13 | F15 | 179.9° | 179.5° |
| C16 | C14 | C13 | O12 | 180.0° | 177.0° |
| C14 | C16 | C17 | H62 | 180.0° | 178.7° |
| C2 | C4 | N5 | C25 | 179.9° | 179.6° |
| C2 | C4 | N5 | C6 | 179.9° | 175.6° |
| C2 | C4 | C25 | N24 | 0.1° | 3.5° |
| C2 | C4 | C25 | C8 | 180.0° | 171.6° |
| C4 | C2 | C1 | H49 | 58.6° | 60.0° |
| C4 | C2 | C1 | H50 | 61.4° | 180.0° |
| C4 | C2 | C1 | H48 | 178.7° | 60.0° |
| C4 | C2 | C3 | H52 | 56.6° | 60.0° |
| C4 | C2 | C3 | H53 | 176.7° | 59.9° |
| C4 | C2 | C3 | H54 | 63.4° | 180.0° |
| C37 | C36 | N35 | H68 | 120.1° | 119.7° |
| C37 | C36 | N35 | H69 | 120.1° | 119.8° |
| C36 | C37 | C39 | N30 | 119.9° | 119.1° |
| C36 | C37 | C39 | H38 | 119.0° | 120.4° |
| C36 | C37 | N30 | H38 | 119.1° | 119.8° |
| C37 | C36 | N35 | C40 | 126.9° | 124.8° |
| C37 | C36 | N35 | C32 | 55.5° | 55.3° |
| C36 | C37 | N30 | C29 | 137.4° | 124.8° |
| C36 | C37 | N30 | C31 | 56.2° | 55.2° |
| C37 | C36 | H68 | H69 | 119.7° | 120.4° |
| C36 | C37 | C39 | H72 | 180.0° | 52.5° |
| C36 | C37 | C39 | H70 | 60.0° | 172.4° |
| C36 | C37 | C39 | H71 | 60.0° | 67.5° |
| C36 | N35 | C40 | O41 | 11.3° | 175.0° |
| N35 | C36 | C37 | C39 | 69.4° | 169.1° |
| N35 | C36 | C37 | N30 | 52.3° | 49.5° |
| C36 | N35 | C40 | C32 | 177.3° | 179.9° |
| C36 | N35 | C40 | C42 | 168.7° | 5.0° |
| C36 | N35 | C32 | C34 | 67.8° | 174.8° |
| C36 | N35 | C32 | C31 | 54.4° | 55.1° |
| N35 | C36 | H68 | H69 | 119.7° | 120.4° |
| N35 | C36 | C37 | H38 | 171.7° | 70.4° |
| C36 | N35 | C32 | H33 | 172.6° | 64.6° |
| C20 | C21 | C46 | CL47 | 0.2° | 20.3° |
| C20 | C21 | C46 | N22 | 179.7° | 175.3° |
| C20 | C21 | C46 | C45 | 179.8° | 163.6° |
| C21 | C20 | C13 | C14 | 179.9° | 172.9° |
| C20 | C21 | N22 | C23 | 179.8° | 167.8° |
| C21 | C20 | C13 | O12 | 0.0° | 5.6° |
| C13 | C20 | C21 | C46 | 116.0° | 156.3° |
| C13 | C20 | C21 | N22 | 63.7° | 28.3° |
| C20 | C13 | C14 | O12 | 179.9° | 178.6° |
| C20 | C13 | C14 | F15 | 180.0° | 176.0° |
| C20 | C13 | O12 | C11 | 115.4° | 132.5° |
| CL47 | C46 | C21 | C45 | 180.0° | 176.1° |
| CL47 | C46 | C21 | N22 | 179.9° | 164.3° |
| CL47 | C46 | C45 | C44 | 180.0° | 172.4° |
| CL47 | C46 | C45 | H76 | 0.0° | 10.5° |
| C4 | N5 | C6 | C7 | 0.0° | 1.8° |
| N5 | C4 | C25 | N24 | 180.0° | 176.2° |
| N5 | C4 | C25 | C8 | 0.0° | 8.8° |
| N5 | C4 | C2 | H51 | 156.2° | 179.7° |
| C4 | N5 | C6 | H55 | 180.0° | 179.8° |
| C6 | N5 | C4 | C25 | 0.0° | 4.7° |
| N5 | C6 | C7 | H55 | 180.0° | 178.4° |
| N5 | C6 | C7 | C8 | 0.0° | 3.9° |
| N5 | C6 | C7 | H56 | 180.0° | 175.3° |
| C4 | C25 | N24 | C23 | 115.7° | 128.2° |
| C4 | C25 | N24 | C8 | 179.9° | 174.8° |
| C4 | C25 | N24 | C26 | 78.8° | 54.4° |
| C4 | C25 | C8 | C7 | 0.1° | 6.5° |
| C4 | C25 | C8 | O9 | 180.0° | 172.7° |
| C25 | C4 | C2 | H51 | 23.9° | 0.1° |
| O41 | C40 | N35 | C42 | 179.9° | 180.0° |
| O41 | C40 | N35 | C32 | 171.4° | 5.1° |
| O41 | C40 | C42 | C43 | 30.9° | 0.0° |
| O41 | C40 | C42 | H77 | 89.5° | 120.0° |
| O41 | C40 | C42 | H73 | 151.3° | 120.0° |
| C46 | C21 | N22 | C23 | 0.1° | 7.4° |
| C21 | C46 | C45 | C44 | 0.0° | 3.8° |
| C21 | C46 | C45 | H76 | 180.0° | 173.3° |
| N22 | C21 | C46 | C45 | 0.1° | 11.8° |
| C21 | N22 | C23 | C44 | 0.0° | 4.4° |
| C21 | N22 | C23 | N24 | 180.0° | 177.3° |
| C46 | C45 | C44 | H76 | 180.0° | 177.1° |
| C46 | C45 | C44 | C23 | 0.1° | 7.8° |
| C46 | C45 | C44 | C29 | 180.0° | 172.1° |
| C14 | C13 | O12 | C11 | 64.7° | 48.9° |
| C13 | C14 | C16 | H61 | 179.9° | 180.0° |
| F15 | C14 | C13 | O12 | 0.1° | 2.5° |
| F15 | C14 | C16 | H61 | 0.0° | 0.5° |
| C39 | C37 | N30 | H38 | 120.7° | 120.5° |
| C39 | C37 | N30 | C29 | 102.4° | 5.1° |
| C39 | C37 | N30 | C31 | 64.0° | 174.9° |
| C39 | C37 | C36 | H68 | 170.5° | 71.1° |
| C39 | C37 | C36 | H69 | 50.7° | 49.4° |
| C37 | C39 | H72 | H70 | 120.0° | 119.9° |
| C37 | C39 | H72 | H71 | 120.0° | 120.0° |
| C37 | C39 | H70 | H71 | 120.0° | 120.0° |
| C37 | N30 | C29 | C44 | 24.4° | 140.4° |
| C37 | N30 | C29 | C31 | 166.1° | 180.0° |
| C37 | N30 | C29 | N28 | 155.7° | 40.9° |
| C37 | N30 | C31 | C32 | 56.2° | 55.2° |
| C37 | N30 | C31 | H63 | 63.9° | 175.0° |
| C37 | N30 | C31 | H64 | 176.3° | 64.7° |
| N30 | C37 | C36 | H68 | 67.8° | 169.3° |
| N30 | C37 | C36 | H69 | 172.3° | 70.3° |
| N30 | C37 | C39 | H72 | 60.1° | 171.5° |
| N30 | C37 | C39 | H70 | 59.9° | 68.5° |
| N30 | C37 | C39 | H71 | 179.9° | 51.5° |
| N22 | C23 | C44 | C45 | 0.1° | 12.2° |
| N22 | C23 | C44 | N24 | 179.9° | 178.4° |
| N22 | C23 | C44 | C29 | 180.0° | 167.6° |
| N22 | C23 | N24 | C25 | 0.8° | 23.3° |
| N22 | C23 | N24 | C26 | 165.8° | 154.0° |
| C45 | C44 | C23 | C29 | 179.9° | 179.9° |
| C45 | C44 | C23 | N24 | 179.9° | 169.4° |
| C45 | C44 | C29 | N30 | 12.6° | 2.5° |
| C45 | C44 | C29 | N28 | 167.3° | 176.3° |
| C13 | O12 | C11 | C10 | 156.8° | 110.9° |
| C13 | O12 | C11 | H60 | 83.3° | 128.7° |
| C13 | O12 | C11 | H59 | 36.8° | 8.7° |
| C6 | C7 | C8 | C25 | 0.1° | 0.4° |
| C6 | C7 | C8 | H56 | 180.0° | 179.2° |
| C6 | C7 | C8 | O9 | 180.0° | 178.8° |
| C44 | C23 | N24 | C25 | 179.1° | 158.4° |
| C44 | C23 | N24 | C26 | 14.2° | 24.3° |
| C23 | C44 | C29 | N30 | 167.5° | 177.6° |
| C23 | C44 | C29 | N28 | 12.6° | 3.6° |
| C23 | C44 | C45 | H76 | 179.9° | 175.2° |
| N24 | C23 | C44 | C29 | 0.0° | 10.8° |
| C23 | N24 | C25 | C26 | 165.4° | 177.3° |
| C23 | N24 | C25 | C8 | 64.3° | 46.6° |
| C23 | N24 | C26 | N28 | 16.8° | 25.0° |
| C23 | N24 | C26 | O27 | 163.2° | 153.4° |
| C40 | N35 | C32 | C34 | 109.6° | 5.2° |
| N35 | C40 | C42 | C43 | 149.0° | 180.0° |
| C40 | N35 | C32 | C31 | 128.2° | 124.9° |
| C40 | N35 | C36 | H68 | 113.0° | 5.0° |
| C40 | N35 | C36 | H69 | 6.9° | 115.5° |
| N35 | C40 | C42 | H77 | 90.6° | 60.0° |
| N35 | C40 | C42 | H73 | 28.6° | 60.0° |
| C40 | N35 | C32 | H33 | 10.0° | 115.3° |
| C32 | N35 | C40 | C42 | 8.7° | 174.9° |
| N35 | C32 | C34 | C31 | 121.4° | 119.1° |
| N35 | C32 | C34 | H33 | 119.9° | 120.4° |
| N35 | C32 | C31 | N30 | 51.3° | 49.4° |
| N35 | C32 | C31 | H33 | 118.6° | 119.8° |
| N35 | C32 | C31 | H63 | 68.8° | 169.2° |
| N35 | C32 | C31 | H64 | 171.4° | 70.5° |
| C32 | N35 | C36 | H68 | 64.6° | 175.0° |
| C32 | N35 | C36 | H69 | 175.6° | 64.5° |
| N35 | C32 | C34 | H65 | 180.0° | 62.5° |
| N35 | C32 | C34 | H66 | 60.0° | 177.5° |
| N35 | C32 | C34 | H67 | 60.0° | 57.5° |
| C40 | C42 | C43 | H77 | 120.4° | 120.0° |
| C40 | C42 | C43 | H73 | 120.4° | 120.0° |
| C40 | C42 | H77 | H73 | 118.8° | 120.0° |
| C40 | C42 | C43 | H1 | 180.0° | 60.0° |
| C40 | C42 | C43 | H74 | 60.0° | 60.0° |
| C40 | C42 | C43 | H75 | 60.0° | 180.0° |
| C44 | C29 | N30 | N28 | 180.0° | 178.7° |
| C44 | C29 | N30 | C31 | 141.7° | 39.6° |
| C44 | C29 | N28 | C26 | 10.4° | 4.3° |
| C29 | C44 | C45 | H76 | 0.0° | 5.0° |
| N24 | C25 | C8 | C7 | 180.0° | 178.5° |
| C25 | N24 | C26 | N28 | 177.8° | 157.4° |
| C25 | N24 | C26 | O27 | 2.2° | 24.2° |
| N24 | C25 | C8 | O9 | 0.0° | 2.3° |
| C8 | C25 | N24 | C26 | 101.1° | 130.7° |
| C25 | C8 | C7 | O9 | 180.0° | 179.2° |
| C25 | C8 | O9 | C10 | 157.5° | 177.3° |
| C25 | C8 | C7 | H56 | 180.0° | 179.6° |
| N24 | C26 | N28 | C29 | 4.1° | 9.9° |
| N24 | C26 | N28 | O27 | 180.0° | 178.4° |
| C34 | C32 | C31 | N30 | 71.3° | 169.0° |
| C34 | C32 | C31 | H33 | 118.7° | 120.6° |
| C34 | C32 | C31 | H63 | 168.6° | 71.1° |
| C34 | C32 | C31 | H64 | 48.7° | 49.2° |
| C32 | C34 | H65 | H66 | 120.0° | 120.0° |
| C32 | C34 | H65 | H67 | 120.0° | 120.0° |
| C32 | C34 | H66 | H67 | 120.0° | 120.0° |
| C43 | C42 | H77 | H73 | 118.8° | 120.0° |
| C42 | C43 | H1 | H74 | 120.0° | 120.0° |
| C42 | C43 | H1 | H75 | 120.0° | 119.9° |
| C42 | C43 | H74 | H75 | 120.0° | 120.0° |
| N30 | C29 | N28 | C26 | 169.7° | 176.9° |
| C29 | N30 | C31 | C32 | 136.6° | 124.9° |
| C29 | N30 | C31 | H63 | 103.3° | 5.0° |
| C29 | N30 | C31 | H64 | 16.5° | 115.3° |
| C29 | N30 | C37 | H38 | 18.3° | 115.4° |
| C31 | N30 | C29 | N28 | 38.2° | 139.1° |
| N30 | C31 | C32 | H63 | 120.1° | 119.9° |
| N30 | C31 | C32 | H64 | 120.1° | 119.9° |
| N30 | C31 | H63 | H64 | 119.8° | 120.4° |
| C31 | N30 | C37 | H38 | 175.2° | 64.6° |
| N30 | C31 | C32 | H33 | 169.9° | 70.4° |
| C29 | N28 | C26 | O27 | 175.9° | 168.5° |
| C7 | C8 | O9 | C10 | 22.5° | 3.5° |
| C8 | C7 | C6 | H55 | 180.0° | 177.7° |
| C32 | C31 | H63 | H64 | 119.8° | 120.3° |
| C31 | C32 | C34 | H65 | 58.6° | 178.4° |
| C31 | C32 | C34 | H66 | 61.4° | 58.4° |
| C31 | C32 | C34 | H67 | 178.6° | 61.6° |
| C8 | O9 | C10 | C11 | 65.7° | 102.7° |
| O9 | C8 | C7 | H56 | 0.0° | 0.4° |
| C8 | O9 | C10 | H58 | 174.0° | 18.9° |
| C8 | O9 | C10 | H57 | 54.5° | 137.7° |
| O12 | C11 | C10 | H60 | 120.0° | 120.4° |
| O12 | C11 | C10 | H59 | 120.0° | 120.0° |
| O12 | C11 | C10 | O9 | 75.8° | 15.4° |
| O12 | C11 | C10 | H58 | 44.5° | 138.1° |
| O12 | C11 | C10 | H57 | 164.0° | 104.4° |
| O12 | C11 | H60 | H59 | 120.1° | 120.3° |
| C11 | C10 | O9 | H58 | 120.3° | 121.7° |
| C11 | C10 | O9 | H57 | 120.3° | 119.6° |
| C11 | C10 | H58 | H57 | 119.2° | 118.6° |
| C10 | C11 | H60 | H59 | 120.0° | 119.4° |
| O9 | C10 | H58 | H57 | 119.2° | 120.1° |
| O9 | C10 | C11 | H60 | 164.2° | 105.1° |
| O9 | C10 | C11 | H59 | 44.2° | 135.4° |
| H49 | C1 | H50 | H48 | 120.0° | 120.0° |
| H49 | C1 | C2 | H51 | 61.3° | 179.9° |
| H50 | C1 | C2 | H51 | 178.7° | 60.0° |
| H48 | C1 | C2 | H51 | 58.8° | 60.1° |
| H51 | C2 | C3 | H52 | 61.3° | 180.0° |
| H51 | C2 | C3 | H53 | 58.7° | 60.1° |
| H51 | C2 | C3 | H54 | 178.7° | 60.0° |
| H52 | C3 | H53 | H54 | 120.0° | 120.0° |
| H55 | C6 | C7 | H56 | 0.0° | 3.1° |
| H58 | C10 | C11 | H60 | 75.5° | 17.7° |
| H58 | C10 | C11 | H59 | 164.5° | 101.8° |
| H57 | C10 | C11 | H60 | 44.0° | 135.1° |
| H57 | C10 | C11 | H59 | 76.1° | 15.6° |
| H61 | C16 | C17 | H62 | 0.0° | 1.1° |
| H63 | C31 | C32 | H33 | 49.8° | 49.5° |
| H64 | C31 | C32 | H33 | 70.0° | 169.7° |
| H68 | C36 | C37 | H38 | 51.6° | 49.3° |
| H69 | C36 | C37 | H38 | 68.3° | 169.8° |
| H38 | C37 | C39 | H72 | 61.0° | 67.9° |
| H38 | C37 | C39 | H70 | 179.0° | 52.0° |
| H38 | C37 | C39 | H71 | 59.0° | 172.1° |
| H72 | C39 | H70 | H71 | 120.0° | 120.0° |
| H77 | C42 | C43 | H1 | 59.6° | 180.0° |
| H77 | C42 | C43 | H74 | 179.6° | 60.0° |
| H77 | C42 | C43 | H75 | 60.4° | 60.0° |
| H73 | C42 | C43 | H1 | 59.6° | 60.0° |
| H73 | C42 | C43 | H74 | 60.4° | 180.0° |
| H73 | C42 | C43 | H75 | 179.6° | 60.0° |
| H1 | C43 | H74 | H75 | 120.0° | 120.1° |
| H33 | C32 | C34 | H65 | 60.1° | 57.9° |
| H33 | C32 | C34 | H66 | 179.9° | 62.1° |
| H33 | C32 | C34 | H67 | 59.9° | 177.9° |
| H65 | C34 | H66 | H67 | 119.9° | 120.0° |
