UOE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | sing | 1.43Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.47Å | 1.45Å | |
| N16 | C15 | sing | 1.38Å | 1.34Å | |
| C15 | N14 | doub | 1.32Å | 1.36Å | Aromatic |
| C15 | N23 | sing | 1.33Å | 1.35Å | Aromatic |
| N14 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| N23 | C24 | doub | 1.32Å | 1.33Å | Aromatic |
| C43 | N42 | sing | 1.47Å | 1.49Å | |
| C13 | C8 | sing | 1.48Å | 1.49Å | |
| C13 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | CL1 | sing | 1.74Å | 1.73Å | |
| O12 | C11 | doub | 1.22Å | 1.23Å | |
| C44 | N42 | sing | 1.47Å | 1.49Å | |
| C44 | C45 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C10 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | N3 | sing | 1.34Å | 1.35Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N42 | C41 | sing | 1.47Å | 1.49Å | |
| N3 | C2 | sing | 1.46Å | 1.45Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | C27 | sing | 1.51Å | 1.53Å | |
| C45 | N39 | sing | 1.47Å | 1.47Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C27 | N29 | sing | 1.35Å | 1.33Å | |
| C27 | O28 | doub | 1.21Å | 1.23Å | |
| N29 | C30 | sing | 1.47Å | 1.46Å | |
| O32 | C31 | sing | 1.43Å | 1.42Å | |
| N39 | C40 | sing | 1.47Å | 1.47Å | |
| N39 | C37 | sing | 1.39Å | 1.37Å | |
| N38 | C37 | doub | 1.32Å | 1.35Å | Aromatic |
| N38 | C33 | sing | 1.32Å | 1.33Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H50 | sing | 1.09Å | 1.10Å | |
| C1 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | H51 | sing | 1.09Å | 1.10Å | |
| C2 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H54 | sing | 1.08Å | 1.08Å | |
| C7 | H55 | sing | 1.08Å | 1.08Å | |
| C19 | H62 | sing | 1.09Å | 1.10Å | |
| C19 | H61 | sing | 1.09Å | 1.10Å | |
| C21 | H63 | sing | 1.09Å | 1.10Å | |
| C21 | H64 | sing | 1.09Å | 1.10Å | |
| C22 | H65 | sing | 1.09Å | 1.10Å | |
| C22 | H66 | sing | 1.09Å | 1.10Å | |
| C24 | H67 | sing | 1.08Å | 1.08Å | |
| C31 | H69 | sing | 1.09Å | 1.10Å | |
| C31 | H70 | sing | 1.09Å | 1.10Å | |
| C35 | H73 | sing | 1.08Å | 1.08Å | |
| C36 | H74 | sing | 1.08Å | 1.08Å | |
| C40 | H75 | sing | 1.09Å | 1.10Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H79 | sing | 1.09Å | 1.10Å | |
| C43 | H81 | sing | 1.09Å | 1.10Å | |
| C43 | H80 | sing | 1.09Å | 1.10Å | |
| C4 | H53 | sing | 1.09Å | 1.10Å | |
| C4 | H52 | sing | 1.09Å | 1.10Å | |
| C9 | H56 | sing | 1.08Å | 1.08Å | |
| N16 | H57 | sing | 0.97Å | 1.00Å | |
| C17 | H58 | sing | 1.09Å | 1.10Å | |
| C18 | H59 | sing | 1.09Å | 1.10Å | |
| C18 | H60 | sing | 1.09Å | 1.10Å | |
| N29 | H68 | sing | 0.97Å | 1.00Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| O32 | H71 | sing | 0.97Å | 0.95Å | |
| C34 | H72 | sing | 1.08Å | 1.08Å | |
| C41 | H78 | sing | 1.09Å | 1.10Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | H82 | sing | 1.09Å | 1.10Å | |
| C44 | H83 | sing | 1.09Å | 1.10Å | |
| C45 | H84 | sing | 1.09Å | 1.10Å | |
| C45 | H85 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | O20 | C21 | 109.8° | 114.1° |
| O20 | C19 | C18 | 111.2° | 109.4° |
| O20 | C19 | H62 | 109.1° | 109.5° |
| O20 | C19 | H61 | 109.0° | 109.5° |
| O20 | C21 | C22 | 111.4° | 109.4° |
| O20 | C21 | H63 | 109.0° | 109.4° |
| O20 | C21 | H64 | 108.9° | 109.5° |
| C19 | C18 | C17 | 111.4° | 109.2° |
| C18 | C19 | H62 | 109.0° | 109.5° |
| C18 | C19 | H61 | 109.0° | 109.5° |
| C19 | C18 | H59 | 109.0° | 109.5° |
| C19 | C18 | H60 | 109.0° | 109.6° |
| C18 | C17 | C22 | 110.0° | 109.0° |
| C18 | C17 | N16 | 109.8° | 109.5° |
| C18 | C17 | H58 | 108.0° | 109.6° |
| C17 | C18 | H59 | 109.0° | 109.5° |
| C17 | C18 | H60 | 109.0° | 109.5° |
| C21 | C22 | C17 | 110.5° | 109.2° |
| C22 | C21 | H63 | 109.0° | 109.5° |
| C22 | C21 | H64 | 109.0° | 109.5° |
| C21 | C22 | H65 | 109.2° | 109.5° |
| C21 | C22 | H66 | 109.2° | 109.5° |
| C22 | C17 | N16 | 111.9° | 109.5° |
| C17 | C22 | H65 | 109.2° | 109.5° |
| C17 | C22 | H66 | 109.2° | 109.5° |
| C22 | C17 | H58 | 108.0° | 109.5° |
| C17 | N16 | C15 | 125.6° | 120.0° |
| C17 | N16 | H57 | 105.3° | 120.0° |
| N16 | C17 | H58 | 109.1° | 109.5° |
| N16 | C15 | N14 | 117.5° | 119.2° |
| N16 | C15 | N23 | 117.1° | 119.1° |
| C15 | N16 | H57 | 105.3° | 120.0° |
| N14 | C15 | N23 | 125.4° | 121.7° |
| C15 | N14 | C13 | 118.0° | 120.6° |
| C15 | N23 | C24 | 116.5° | 121.0° |
| N14 | C13 | C8 | 114.5° | 120.5° |
| N14 | C13 | C25 | 119.4° | 119.0° |
| N23 | C24 | C25 | 121.5° | 119.3° |
| N23 | C24 | H67 | 119.3° | 120.4° |
| C43 | N42 | C44 | 111.4° | 111.1° |
| C43 | N42 | C41 | 111.6° | 111.0° |
| N42 | C43 | H79 | 109.5° | 109.5° |
| N42 | C43 | H81 | 109.4° | 109.4° |
| N42 | C43 | H80 | 109.5° | 109.4° |
| C8 | C13 | C25 | 125.9° | 120.5° |
| C13 | C8 | C9 | 122.3° | 120.0° |
| C13 | C8 | C7 | 119.0° | 120.0° |
| C13 | C25 | C24 | 119.1° | 118.4° |
| C13 | C25 | CL1 | 122.2° | 120.8° |
| C24 | C25 | CL1 | 118.7° | 120.8° |
| C25 | C24 | H67 | 119.3° | 120.3° |
| C8 | C9 | C10 | 119.7° | 119.7° |
| C9 | C8 | C7 | 118.6° | 120.0° |
| C8 | C9 | H56 | 120.2° | 120.1° |
| C9 | C10 | C11 | 131.0° | 132.2° |
| C9 | C10 | C5 | 120.8° | 119.6° |
| C10 | C9 | H56 | 120.2° | 120.2° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C8 | C7 | H55 | 119.5° | 120.0° |
| O12 | C11 | C10 | 129.0° | 124.8° |
| O12 | C11 | N3 | 124.8° | 124.9° |
| N42 | C44 | C45 | 109.3° | 109.4° |
| C44 | N42 | C41 | 109.8° | 110.9° |
| N42 | C44 | H82 | 109.5° | 109.5° |
| N42 | C44 | H83 | 109.5° | 109.5° |
| C44 | C45 | N39 | 111.1° | 109.4° |
| C45 | C44 | H82 | 109.5° | 109.5° |
| C45 | C44 | H83 | 109.5° | 109.5° |
| C44 | C45 | H84 | 109.0° | 109.5° |
| C44 | C45 | H85 | 109.0° | 109.5° |
| C11 | C10 | C5 | 108.1° | 108.2° |
| C10 | C11 | N3 | 106.1° | 110.3° |
| C10 | C5 | C6 | 119.7° | 120.5° |
| C10 | C5 | C4 | 109.7° | 106.4° |
| C11 | N3 | C2 | 122.3° | 125.6° |
| C11 | N3 | C4 | 113.1° | 108.8° |
| C7 | C6 | C5 | 120.2° | 120.2° |
| C7 | C6 | H54 | 119.9° | 119.9° |
| C6 | C7 | H55 | 119.5° | 120.0° |
| C1 | C2 | N3 | 111.4° | 109.5° |
| C1 | C2 | C27 | 112.0° | 109.5° |
| C2 | C1 | H50 | 109.5° | 109.5° |
| C2 | C1 | H49 | 109.5° | 109.5° |
| C2 | C1 | H51 | 109.5° | 109.5° |
| C1 | C2 | H46 | 107.0° | 109.4° |
| N42 | C41 | C40 | 109.9° | 109.4° |
| N42 | C41 | H78 | 109.4° | 109.5° |
| N42 | C41 | H77 | 109.4° | 109.5° |
| C2 | N3 | C4 | 122.8° | 125.6° |
| N3 | C2 | C27 | 111.2° | 109.5° |
| N3 | C2 | H46 | 107.9° | 109.4° |
| N3 | C4 | C5 | 101.8° | 106.3° |
| N3 | C4 | H53 | 111.3° | 110.0° |
| N3 | C4 | H52 | 111.4° | 110.2° |
| C6 | C5 | C4 | 130.6° | 133.1° |
| C5 | C6 | H54 | 119.9° | 120.0° |
| C5 | C4 | H53 | 111.4° | 110.1° |
| C5 | C4 | H52 | 111.3° | 110.1° |
| C2 | C27 | N29 | 114.4° | 120.0° |
| C2 | C27 | O28 | 122.2° | 120.0° |
| C27 | C2 | H46 | 107.0° | 109.5° |
| C45 | N39 | C40 | 113.5° | 110.9° |
| C45 | N39 | C37 | 120.6° | 111.1° |
| N39 | C45 | H84 | 109.1° | 109.5° |
| N39 | C45 | H85 | 109.1° | 109.4° |
| C41 | C40 | N39 | 110.7° | 109.4° |
| C41 | C40 | H75 | 109.1° | 109.5° |
| C41 | C40 | H76 | 109.2° | 109.5° |
| C40 | C41 | H78 | 109.3° | 109.5° |
| C40 | C41 | H77 | 109.4° | 109.5° |
| N29 | C27 | O28 | 123.4° | 120.0° |
| C27 | N29 | C30 | 124.6° | 120.0° |
| C27 | N29 | H68 | 117.7° | 120.0° |
| N29 | C30 | C31 | 109.6° | 109.4° |
| N29 | C30 | C33 | 111.7° | 109.4° |
| C30 | N29 | H68 | 117.7° | 120.0° |
| N29 | C30 | H47 | 109.1° | 109.5° |
| O32 | C31 | C30 | 110.6° | 109.5° |
| O32 | C31 | H69 | 109.2° | 109.5° |
| O32 | C31 | H70 | 109.2° | 109.4° |
| C31 | O32 | H71 | 109.5° | 114.0° |
| C40 | N39 | C37 | 122.4° | 111.0° |
| N39 | C40 | H75 | 109.1° | 109.5° |
| N39 | C40 | H76 | 109.1° | 109.5° |
| N39 | C37 | N38 | 115.1° | 119.7° |
| N39 | C37 | C36 | 123.7° | 119.8° |
| C37 | N38 | C33 | 118.7° | 121.6° |
| N38 | C37 | C36 | 121.2° | 120.6° |
| N38 | C33 | C30 | 115.1° | 119.6° |
| N38 | C33 | C34 | 122.4° | 120.9° |
| C31 | C30 | C33 | 109.8° | 109.5° |
| C30 | C31 | H69 | 109.2° | 109.5° |
| C30 | C31 | H70 | 109.2° | 109.5° |
| C31 | C30 | H47 | 108.2° | 109.5° |
| C37 | C36 | C35 | 119.4° | 119.1° |
| C37 | C36 | H74 | 120.3° | 120.4° |
| C30 | C33 | C34 | 122.4° | 119.5° |
| C33 | C30 | H47 | 108.3° | 109.5° |
| C33 | C34 | C35 | 119.3° | 119.3° |
| C33 | C34 | H72 | 120.3° | 120.3° |
| C36 | C35 | C34 | 118.9° | 118.5° |
| C36 | C35 | H73 | 120.5° | 120.7° |
| C35 | C36 | H74 | 120.3° | 120.5° |
| C34 | C35 | H73 | 120.5° | 120.8° |
| C35 | C34 | H72 | 120.4° | 120.3° |
| H50 | C1 | H49 | 109.5° | 109.4° |
| H50 | C1 | H51 | 109.5° | 109.5° |
| H49 | C1 | H51 | 109.4° | 109.5° |
| H62 | C19 | H61 | 109.5° | 109.5° |
| H63 | C21 | H64 | 109.5° | 109.5° |
| H65 | C22 | H66 | 109.4° | 109.6° |
| H69 | C31 | H70 | 109.5° | 109.5° |
| H75 | C40 | H76 | 109.5° | 109.5° |
| H79 | C43 | H81 | 109.4° | 109.5° |
| H79 | C43 | H80 | 109.5° | 109.5° |
| H81 | C43 | H80 | 109.5° | 109.4° |
| H53 | C4 | H52 | 109.5° | 110.2° |
| H59 | C18 | H60 | 109.5° | 109.6° |
| H78 | C41 | H77 | 109.5° | 109.5° |
| H82 | C44 | H83 | 109.5° | 109.5° |
| H84 | C45 | H85 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | C18 | H62 | 120.3° | 119.9° |
| O20 | C19 | C18 | H61 | 120.3° | 120.0° |
| O20 | C19 | C18 | C17 | 56.4° | 57.6° |
| C19 | O20 | C21 | C22 | 62.9° | 61.1° |
| O20 | C19 | H62 | H61 | 119.2° | 120.0° |
| C19 | O20 | C21 | H63 | 176.8° | 58.8° |
| C19 | O20 | C21 | H64 | 57.4° | 178.8° |
| O20 | C19 | C18 | H59 | 176.7° | 177.5° |
| O20 | C19 | C18 | H60 | 63.9° | 62.3° |
| C21 | O20 | C19 | C18 | 62.1° | 61.1° |
| O20 | C21 | C22 | H63 | 120.3° | 119.9° |
| O20 | C21 | C22 | H64 | 120.3° | 120.1° |
| O20 | C21 | C22 | C17 | 57.3° | 57.5° |
| C21 | O20 | C19 | H62 | 58.2° | 178.9° |
| C21 | O20 | C19 | H61 | 177.7° | 58.8° |
| O20 | C21 | H63 | H64 | 119.1° | 120.0° |
| O20 | C21 | C22 | H65 | 62.9° | 62.4° |
| O20 | C21 | C22 | H66 | 177.4° | 177.5° |
| C19 | C18 | C17 | H59 | 120.3° | 119.8° |
| C19 | C18 | C17 | H60 | 120.3° | 119.9° |
| C19 | C18 | C17 | C22 | 50.0° | 57.0° |
| C19 | C18 | C17 | N16 | 173.6° | 176.9° |
| C18 | C19 | H62 | H61 | 119.2° | 120.1° |
| C19 | C18 | C17 | H58 | 67.6° | 62.9° |
| C19 | C18 | H59 | H60 | 119.1° | 120.2° |
| C18 | C17 | C22 | C21 | 50.2° | 57.0° |
| C18 | C17 | C22 | N16 | 122.3° | 119.9° |
| C18 | C17 | C22 | H58 | 117.7° | 120.0° |
| C18 | C17 | N16 | H58 | 118.2° | 120.3° |
| C18 | C17 | N16 | C15 | 75.4° | 85.4° |
| C17 | C18 | C19 | H62 | 63.9° | 177.6° |
| C17 | C18 | C19 | H61 | 176.6° | 62.3° |
| C18 | C17 | C22 | H65 | 70.0° | 62.9° |
| C18 | C17 | C22 | H66 | 170.3° | 176.9° |
| C18 | C17 | N16 | H57 | 46.8° | 94.5° |
| C17 | C18 | H59 | H60 | 119.1° | 120.2° |
| C21 | C22 | C17 | H65 | 120.2° | 119.9° |
| C21 | C22 | C17 | H66 | 120.1° | 119.9° |
| C21 | C22 | C17 | N16 | 172.4° | 176.9° |
| C22 | C21 | H63 | H64 | 119.1° | 120.0° |
| C21 | C22 | H65 | H66 | 119.5° | 120.1° |
| C21 | C22 | C17 | H58 | 67.5° | 63.0° |
| C22 | C17 | N16 | H58 | 119.4° | 120.1° |
| C22 | C17 | N16 | C15 | 162.2° | 155.0° |
| C17 | C22 | C21 | H63 | 177.6° | 62.4° |
| C17 | C22 | C21 | H64 | 63.0° | 177.6° |
| C17 | C22 | H65 | H66 | 119.5° | 120.2° |
| C22 | C17 | N16 | H57 | 75.6° | 25.0° |
| C22 | C17 | C18 | H59 | 170.3° | 176.9° |
| C22 | C17 | C18 | H60 | 70.2° | 62.9° |
| C17 | N16 | C15 | H57 | 122.2° | 180.0° |
| C17 | N16 | C15 | N14 | 5.6° | 180.0° |
| C17 | N16 | C15 | N23 | 172.9° | 0.1° |
| N16 | C17 | C22 | H65 | 52.3° | 57.0° |
| N16 | C17 | C22 | H66 | 67.4° | 63.2° |
| N16 | C17 | C18 | H59 | 66.1° | 63.3° |
| N16 | C17 | C18 | H60 | 53.3° | 56.9° |
| N16 | C15 | N14 | N23 | 178.4° | 179.9° |
| N16 | C15 | N14 | C13 | 178.1° | 180.0° |
| N16 | C15 | N23 | C24 | 179.3° | 179.7° |
| C15 | N16 | C17 | H58 | 42.8° | 34.9° |
| N14 | C15 | N23 | C24 | 2.4° | 0.2° |
| C15 | N14 | C13 | C8 | 177.1° | 179.9° |
| C15 | N14 | C13 | C25 | 2.6° | 0.3° |
| N14 | C15 | N16 | H57 | 127.8° | 0.0° |
| N23 | C15 | N14 | C13 | 0.3° | 0.0° |
| C15 | N23 | C24 | C25 | 2.6° | 0.3° |
| C15 | N23 | C24 | H67 | 177.4° | 179.8° |
| N23 | C15 | N16 | H57 | 50.8° | 180.0° |
| N14 | C13 | C8 | C25 | 174.0° | 179.8° |
| N14 | C13 | C25 | C24 | 2.3° | 0.2° |
| N14 | C13 | C8 | C9 | 142.9° | 35.2° |
| N14 | C13 | C8 | C7 | 40.8° | 144.7° |
| N14 | C13 | C25 | CL1 | 177.5° | 179.8° |
| N23 | C24 | C25 | C13 | 0.4° | 0.0° |
| N23 | C24 | C25 | H67 | 180.0° | 180.0° |
| N23 | C24 | C25 | CL1 | 179.7° | 180.0° |
| C43 | N42 | C44 | C41 | 124.1° | 123.9° |
| C43 | N42 | C44 | C45 | 176.0° | 176.8° |
| C43 | N42 | C41 | C40 | 176.0° | 176.8° |
| N42 | C43 | H79 | H81 | 120.0° | 120.0° |
| N42 | C43 | H79 | H80 | 120.0° | 120.0° |
| N42 | C43 | H81 | H80 | 120.0° | 119.9° |
| C43 | N42 | C41 | H78 | 56.0° | 63.3° |
| C43 | N42 | C41 | H77 | 63.9° | 56.8° |
| C43 | N42 | C44 | H82 | 64.1° | 63.2° |
| C43 | N42 | C44 | H83 | 56.0° | 56.8° |
| C8 | C13 | C25 | C24 | 176.1° | 180.0° |
| C13 | C8 | C9 | C7 | 176.3° | 179.9° |
| C13 | C8 | C9 | C10 | 177.7° | 179.7° |
| C8 | C13 | C25 | CL1 | 3.8° | 0.0° |
| C13 | C8 | C7 | C6 | 177.2° | 180.0° |
| C13 | C8 | C7 | H55 | 2.8° | 0.1° |
| C13 | C8 | C9 | H56 | 2.4° | 0.1° |
| C13 | C25 | C24 | CL1 | 179.9° | 180.0° |
| C25 | C13 | C8 | C9 | 43.1° | 145.0° |
| C25 | C13 | C8 | C7 | 133.2° | 35.1° |
| C13 | C25 | C24 | H67 | 179.6° | 180.0° |
| C8 | C9 | C10 | H56 | 180.0° | 179.6° |
| C8 | C9 | C10 | C11 | 179.6° | 179.9° |
| C8 | C9 | C10 | C5 | 1.4° | 0.7° |
| C9 | C8 | C7 | C6 | 0.7° | 0.1° |
| C9 | C8 | C7 | H55 | 179.3° | 180.0° |
| C10 | C9 | C8 | C7 | 1.3° | 0.4° |
| C9 | C10 | C11 | O12 | 7.2° | 0.8° |
| C9 | C10 | C11 | C5 | 179.1° | 179.3° |
| C9 | C10 | C11 | N3 | 172.9° | 179.3° |
| C9 | C10 | C5 | C6 | 0.8° | 0.6° |
| C9 | C10 | C5 | C4 | 179.3° | 179.6° |
| C8 | C7 | C6 | H55 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.2° | 0.1° |
| C8 | C7 | C6 | H54 | 179.8° | 180.0° |
| C7 | C8 | C9 | H56 | 178.7° | 180.0° |
| CL1 | C25 | C24 | H67 | 0.3° | 0.0° |
| O12 | C11 | C10 | N3 | 179.9° | 180.0° |
| O12 | C11 | C10 | C5 | 171.9° | 180.0° |
| O12 | C11 | N3 | C2 | 2.9° | 0.0° |
| O12 | C11 | N3 | C4 | 168.2° | 179.7° |
| N42 | C44 | C45 | H82 | 120.0° | 120.0° |
| N42 | C44 | C45 | H83 | 120.0° | 120.0° |
| N42 | C44 | C45 | N39 | 56.4° | 58.4° |
| C44 | N42 | C41 | C40 | 60.0° | 59.3° |
| C44 | N42 | C43 | H79 | 180.0° | 176.2° |
| C44 | N42 | C43 | H81 | 60.0° | 56.1° |
| C44 | N42 | C43 | H80 | 60.0° | 63.8° |
| C44 | N42 | C41 | H78 | 180.0° | 60.6° |
| C44 | N42 | C41 | H77 | 60.1° | 179.3° |
| N42 | C44 | H82 | H83 | 120.1° | 120.0° |
| N42 | C44 | C45 | H84 | 176.6° | 61.6° |
| N42 | C44 | C45 | H85 | 63.9° | 178.3° |
| C45 | C44 | N42 | C41 | 59.9° | 59.3° |
| C44 | C45 | N39 | H84 | 120.2° | 120.0° |
| C44 | C45 | N39 | H85 | 120.2° | 120.0° |
| C44 | C45 | N39 | C40 | 54.1° | 59.3° |
| C44 | C45 | N39 | C37 | 146.4° | 176.8° |
| C45 | C44 | H82 | H83 | 120.0° | 120.1° |
| C44 | C45 | H84 | H85 | 119.2° | 120.1° |
| C10 | C11 | N3 | C2 | 176.9° | 180.0° |
| C10 | C11 | N3 | C4 | 11.7° | 0.3° |
| C11 | C10 | C5 | C6 | 180.0° | 180.0° |
| C11 | C10 | C5 | C4 | 1.5° | 0.2° |
| C11 | C10 | C9 | H56 | 0.4° | 0.5° |
| C5 | C10 | C11 | N3 | 7.9° | 0.0° |
| C10 | C5 | C6 | C7 | 0.2° | 0.3° |
| C10 | C5 | C4 | N3 | 5.0° | 0.4° |
| C10 | C5 | C6 | C4 | 178.1° | 179.7° |
| C10 | C5 | C6 | H54 | 179.8° | 179.7° |
| C10 | C5 | C4 | H53 | 123.7° | 119.5° |
| C10 | C5 | C4 | H52 | 113.8° | 118.9° |
| C5 | C10 | C9 | H56 | 178.6° | 179.7° |
| C11 | N3 | C2 | C1 | 156.1° | 60.1° |
| C11 | N3 | C2 | C4 | 163.8° | 179.7° |
| C11 | N3 | C4 | C5 | 10.5° | 0.4° |
| C11 | N3 | C2 | C27 | 78.2° | 60.0° |
| C11 | N3 | C2 | H46 | 38.9° | 180.0° |
| C11 | N3 | C4 | H53 | 129.3° | 119.5° |
| C11 | N3 | C4 | H52 | 108.2° | 118.8° |
| C7 | C6 | C5 | H54 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 178.3° | 180.0° |
| C1 | C2 | N3 | C27 | 125.7° | 120.0° |
| C1 | C2 | N3 | H46 | 117.2° | 120.0° |
| C1 | C2 | N3 | C4 | 40.1° | 120.3° |
| C1 | C2 | C27 | H46 | 117.0° | 120.0° |
| C1 | C2 | C27 | N29 | 58.8° | 60.0° |
| C1 | C2 | C27 | O28 | 121.8° | 120.0° |
| C2 | C1 | H50 | H49 | 120.0° | 119.9° |
| C2 | C1 | H50 | H51 | 120.0° | 120.1° |
| C2 | C1 | H49 | H51 | 120.0° | 120.0° |
| N42 | C41 | C40 | H78 | 120.1° | 120.0° |
| N42 | C41 | C40 | H77 | 120.1° | 120.0° |
| N42 | C41 | C40 | N39 | 55.9° | 58.4° |
| N42 | C41 | C40 | H75 | 64.3° | 178.3° |
| N42 | C41 | C40 | H76 | 176.1° | 61.6° |
| C41 | N42 | C43 | H79 | 56.9° | 60.0° |
| C41 | N42 | C43 | H81 | 176.9° | 180.0° |
| C41 | N42 | C43 | H80 | 63.1° | 60.1° |
| N42 | C41 | H78 | H77 | 119.8° | 120.1° |
| C41 | N42 | C44 | H82 | 60.0° | 60.7° |
| C41 | N42 | C44 | H83 | 179.9° | 179.3° |
| C2 | N3 | C4 | C5 | 175.7° | 179.9° |
| N3 | C2 | C27 | H46 | 117.7° | 120.0° |
| N3 | C2 | C27 | N29 | 175.9° | 180.0° |
| N3 | C2 | C27 | O28 | 3.5° | 0.0° |
| N3 | C2 | C1 | H50 | 180.0° | 180.0° |
| N3 | C2 | C1 | H49 | 60.0° | 60.1° |
| N3 | C2 | C1 | H51 | 60.0° | 60.0° |
| C2 | N3 | C4 | H53 | 65.6° | 60.8° |
| C2 | N3 | C4 | H52 | 57.0° | 60.9° |
| N3 | C4 | C5 | C6 | 173.3° | 179.9° |
| N3 | C4 | C5 | H53 | 118.7° | 119.1° |
| N3 | C4 | C5 | H52 | 118.7° | 119.3° |
| C4 | N3 | C2 | C27 | 85.6° | 119.7° |
| C4 | N3 | C2 | H46 | 157.3° | 0.3° |
| N3 | C4 | H53 | H52 | 123.6° | 121.7° |
| C5 | C6 | C7 | H55 | 179.8° | 180.0° |
| C6 | C5 | C4 | H53 | 54.6° | 60.8° |
| C6 | C5 | C4 | H52 | 68.0° | 60.8° |
| C4 | C5 | C6 | H54 | 1.6° | 0.0° |
| C5 | C4 | H53 | H52 | 123.6° | 121.6° |
| C2 | C27 | N29 | O28 | 179.4° | 180.0° |
| C2 | C27 | N29 | C30 | 173.6° | 180.0° |
| C27 | C2 | C1 | H50 | 54.7° | 59.9° |
| C27 | C2 | C1 | H49 | 65.3° | 60.0° |
| C27 | C2 | C1 | H51 | 174.7° | 180.0° |
| C2 | C27 | N29 | H68 | 6.5° | 0.0° |
| C45 | N39 | C40 | C41 | 53.6° | 59.3° |
| C45 | N39 | C40 | C37 | 159.0° | 123.9° |
| C45 | N39 | C37 | N38 | 4.4° | 56.2° |
| C45 | N39 | C37 | C36 | 175.9° | 123.8° |
| C45 | N39 | C40 | H75 | 66.5° | 179.2° |
| C45 | N39 | C40 | H76 | 173.8° | 60.7° |
| N39 | C45 | C44 | H82 | 63.6° | 61.6° |
| N39 | C45 | C44 | H83 | 176.4° | 178.4° |
| N39 | C45 | H84 | H85 | 119.3° | 120.0° |
| C41 | C40 | N39 | H75 | 120.2° | 120.0° |
| C41 | C40 | N39 | H76 | 120.2° | 120.0° |
| C41 | C40 | N39 | C37 | 147.4° | 176.8° |
| C41 | C40 | H75 | H76 | 119.5° | 120.1° |
| C40 | C41 | H78 | H77 | 119.8° | 120.0° |
| C27 | N29 | C30 | H68 | 180.0° | 180.0° |
| C27 | N29 | C30 | C31 | 125.6° | 85.0° |
| C27 | N29 | C30 | C33 | 112.5° | 155.0° |
| N29 | C27 | C2 | H46 | 58.2° | 60.0° |
| C27 | N29 | C30 | H47 | 7.3° | 35.0° |
| O28 | C27 | N29 | C30 | 7.1° | 0.0° |
| O28 | C27 | C2 | H46 | 121.2° | 120.0° |
| O28 | C27 | N29 | H68 | 172.9° | 180.0° |
| N29 | C30 | C31 | O32 | 57.7° | 65.0° |
| N29 | C30 | C33 | N38 | 24.4° | 25.1° |
| N29 | C30 | C31 | C33 | 123.0° | 120.0° |
| N29 | C30 | C31 | H47 | 118.9° | 120.0° |
| N29 | C30 | C33 | H47 | 120.2° | 120.0° |
| N29 | C30 | C33 | C34 | 157.5° | 155.1° |
| N29 | C30 | C31 | H69 | 177.9° | 55.0° |
| N29 | C30 | C31 | H70 | 62.4° | 175.1° |
| O32 | C31 | C30 | H69 | 120.2° | 120.1° |
| O32 | C31 | C30 | H70 | 120.1° | 119.9° |
| O32 | C31 | C30 | C33 | 65.3° | 54.9° |
| O32 | C31 | H69 | H70 | 119.5° | 119.9° |
| O32 | C31 | C30 | H47 | 176.6° | 175.0° |
| C40 | N39 | C37 | N38 | 161.9° | 180.0° |
| C40 | N39 | C37 | C36 | 18.3° | 0.0° |
| N39 | C40 | H75 | H76 | 119.4° | 120.0° |
| N39 | C40 | C41 | H78 | 176.0° | 61.6° |
| N39 | C40 | C41 | H77 | 64.2° | 178.4° |
| C40 | N39 | C45 | H84 | 174.4° | 60.8° |
| C40 | N39 | C45 | H85 | 66.1° | 179.3° |
| N39 | C37 | N38 | C36 | 179.7° | 180.0° |
| N39 | C37 | N38 | C33 | 179.3° | 179.6° |
| N39 | C37 | C36 | C35 | 180.0° | 179.9° |
| N39 | C37 | C36 | H74 | 0.0° | 0.0° |
| C37 | N39 | C40 | H75 | 92.5° | 56.8° |
| C37 | N39 | C40 | H76 | 27.2° | 63.2° |
| C37 | N39 | C45 | H84 | 26.2° | 63.1° |
| C37 | N39 | C45 | H85 | 93.3° | 56.8° |
| C37 | N38 | C33 | C30 | 179.4° | 179.7° |
| C37 | N38 | C33 | C34 | 1.3° | 0.4° |
| N38 | C37 | C36 | C35 | 0.3° | 0.1° |
| N38 | C37 | C36 | H74 | 179.7° | 180.0° |
| N38 | C33 | C30 | C31 | 97.5° | 94.9° |
| C33 | N38 | C37 | C36 | 0.9° | 0.4° |
| N38 | C33 | C30 | C34 | 178.2° | 179.9° |
| N38 | C33 | C34 | C35 | 0.9° | 0.1° |
| N38 | C33 | C30 | H47 | 144.6° | 145.1° |
| N38 | C33 | C34 | H72 | 179.1° | 180.0° |
| C31 | C30 | C33 | H47 | 118.0° | 120.1° |
| C31 | C30 | C33 | C34 | 80.7° | 85.0° |
| C30 | C31 | H69 | H70 | 119.5° | 120.0° |
| C31 | C30 | N29 | H68 | 54.4° | 95.0° |
| C30 | C31 | O32 | H71 | 180.0° | 180.0° |
| C37 | C36 | C35 | H74 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.1° | 0.2° |
| C37 | C36 | C35 | H73 | 179.9° | 180.0° |
| C30 | C33 | C34 | C35 | 179.0° | 180.0° |
| C33 | C30 | C31 | H69 | 54.8° | 175.0° |
| C33 | C30 | C31 | H70 | 174.5° | 65.0° |
| C33 | C30 | N29 | H68 | 67.5° | 25.0° |
| C30 | C33 | C34 | H72 | 1.0° | 0.1° |
| C33 | C34 | C35 | C36 | 0.2° | 0.2° |
| C33 | C34 | C35 | H72 | 180.0° | 179.9° |
| C33 | C34 | C35 | H73 | 179.8° | 180.0° |
| C34 | C33 | C30 | H47 | 37.3° | 35.1° |
| C36 | C35 | C34 | H73 | 180.0° | 179.8° |
| C36 | C35 | C34 | H72 | 179.8° | 179.7° |
| C34 | C35 | C36 | H74 | 179.9° | 179.7° |
| H50 | C1 | H49 | H51 | 120.0° | 120.0° |
| H50 | C1 | C2 | H46 | 62.3° | 60.0° |
| H49 | C1 | C2 | H46 | 177.7° | 180.0° |
| H51 | C1 | C2 | H46 | 57.8° | 60.0° |
| H54 | C6 | C7 | H55 | 0.2° | 0.1° |
| H62 | C19 | C18 | H59 | 56.4° | 62.6° |
| H62 | C19 | C18 | H60 | 175.8° | 57.6° |
| H61 | C19 | C18 | H59 | 63.1° | 57.5° |
| H61 | C19 | C18 | H60 | 56.4° | 177.7° |
| H63 | C21 | C22 | H65 | 57.4° | 177.7° |
| H63 | C21 | C22 | H66 | 62.3° | 57.6° |
| H64 | C21 | C22 | H65 | 176.8° | 57.7° |
| H64 | C21 | C22 | H66 | 57.2° | 62.5° |
| H65 | C22 | C17 | H58 | 172.3° | 177.1° |
| H66 | C22 | C17 | H58 | 52.6° | 56.9° |
| H69 | C31 | C30 | H47 | 63.3° | 65.0° |
| H69 | C31 | O32 | H71 | 59.8° | 59.9° |
| H70 | C31 | C30 | H47 | 56.4° | 55.1° |
| H70 | C31 | O32 | H71 | 59.8° | 60.1° |
| H73 | C35 | C36 | H74 | 0.1° | 0.1° |
| H73 | C35 | C34 | H72 | 0.2° | 0.1° |
| H75 | C40 | C41 | H78 | 55.8° | 58.4° |
| H75 | C40 | C41 | H77 | 175.6° | 61.7° |
| H76 | C40 | C41 | H78 | 63.9° | 178.5° |
| H76 | C40 | C41 | H77 | 56.0° | 58.4° |
| H79 | C43 | H81 | H80 | 120.0° | 120.0° |
| H57 | N16 | C17 | H58 | 164.9° | 145.2° |
| H58 | C17 | C18 | H59 | 52.7° | 56.9° |
| H58 | C17 | C18 | H60 | 172.1° | 177.1° |
| H68 | N29 | C30 | H47 | 172.7° | 145.0° |
| H82 | C44 | C45 | H84 | 56.6° | 178.4° |
| H82 | C44 | C45 | H85 | 176.1° | 58.4° |
| H83 | C44 | C45 | H84 | 63.4° | 58.4° |
| H83 | C44 | C45 | H85 | 56.1° | 61.7° |
