A1JU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C37 | sing | 1.36Å | 1.36Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| F32 | C31 | sing | 1.35Å | 1.35Å | |
| C35 | C30 | sing | 1.48Å | 1.50Å | |
| C35 | C47 | doub | 1.41Å | 1.45Å | Aromatic |
| C31 | C30 | sing | 1.41Å | 1.37Å | Aromatic |
| C31 | C33 | doub | 1.36Å | 1.37Å | Aromatic |
| C40 | C47 | sing | 1.42Å | 1.43Å | Aromatic |
| C40 | C41 | sing | 1.41Å | 1.42Å | Aromatic |
| C30 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C47 | C44 | sing | 1.41Å | 1.44Å | Aromatic |
| C28 | F29 | sing | 1.35Å | 1.35Å | |
| C28 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.36Å | 1.38Å | Aromatic |
| C34 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C34 | C10 | doub | 1.42Å | 1.42Å | Aromatic |
| C27 | N26 | doub | 1.34Å | 1.34Å | Aromatic |
| N8 | C10 | sing | 1.38Å | 1.39Å | |
| N8 | C7 | sing | 1.45Å | 1.46Å | |
| N8 | C9 | sing | 1.48Å | 1.49Å | |
| C10 | N11 | sing | 1.33Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| C9 | C2 | sing | 1.53Å | 1.55Å | |
| N26 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| C44 | C45 | sing | 1.43Å | 1.43Å | |
| C44 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| N11 | C12 | doub | 1.33Å | 1.30Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.36Å | |
| C18 | N19 | sing | 1.48Å | 1.50Å | |
| C18 | C17 | sing | 1.55Å | 1.49Å | |
| N19 | C21 | sing | 1.48Å | 1.50Å | |
| N19 | C15 | sing | 1.48Å | 1.55Å | |
| C42 | C43 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.58Å | 1.53Å | |
| C45 | C46 | trip | 1.17Å | 1.17Å | |
| O13 | C14 | sing | 1.43Å | 1.44Å | |
| C17 | C16 | sing | 1.55Å | 1.50Å | |
| C6 | O5 | sing | 1.36Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | O3 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C15 | C25 | sing | 1.54Å | 1.54Å | |
| C4 | O5 | sing | 1.44Å | 1.43Å | |
| C22 | F24 | sing | 1.40Å | 1.40Å | |
| C22 | C25 | sing | 1.55Å | 1.53Å | |
| C1 | H50 | sing | 1.09Å | 1.10Å | |
| C1 | H48 | sing | 1.09Å | 1.10Å | |
| C1 | H49 | sing | 1.09Å | 1.10Å | |
| C6 | H55 | sing | 1.09Å | 1.10Å | |
| C6 | H54 | sing | 1.09Å | 1.10Å | |
| C7 | H57 | sing | 1.09Å | 1.10Å | |
| C7 | H56 | sing | 1.09Å | 1.10Å | |
| C14 | H60 | sing | 1.09Å | 1.10Å | |
| C14 | H61 | sing | 1.09Å | 1.10Å | |
| C16 | H62 | sing | 1.09Å | 1.10Å | |
| C16 | H63 | sing | 1.09Å | 1.10Å | |
| C21 | H68 | sing | 1.09Å | 1.10Å | |
| C21 | H69 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H70 | sing | 1.09Å | 1.10Å | |
| C25 | H71 | sing | 1.09Å | 1.10Å | |
| C36 | H73 | sing | 1.08Å | 1.08Å | |
| C39 | H75 | sing | 1.08Å | 1.08Å | |
| C42 | H77 | sing | 1.08Å | 1.08Å | |
| C43 | H78 | sing | 1.08Å | 1.08Å | |
| O3 | H51 | sing | 0.97Å | 0.95Å | |
| C4 | H53 | sing | 1.09Å | 1.10Å | |
| C4 | H52 | sing | 1.09Å | 1.10Å | |
| C9 | H59 | sing | 1.09Å | 1.10Å | |
| C9 | H58 | sing | 1.09Å | 1.10Å | |
| C17 | H65 | sing | 1.09Å | 1.10Å | |
| C17 | H64 | sing | 1.09Å | 1.10Å | |
| C18 | H67 | sing | 1.09Å | 1.10Å | |
| C18 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H72 | sing | 1.08Å | 1.08Å | |
| O38 | H74 | sing | 0.97Å | 0.95Å | |
| C41 | H76 | sing | 1.08Å | 1.08Å | |
| C46 | H79 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C37 | C36 | 120.1° | 119.6° |
| O38 | C37 | C39 | 119.6° | 119.5° |
| C37 | O38 | H74 | 109.5° | 114.0° |
| C36 | C37 | C39 | 120.3° | 120.8° |
| C37 | C36 | C35 | 121.5° | 120.6° |
| C37 | C36 | H73 | 119.3° | 119.7° |
| C37 | C39 | C40 | 121.2° | 119.9° |
| C37 | C39 | H75 | 119.4° | 120.1° |
| C36 | C35 | C30 | 116.0° | 120.2° |
| C36 | C35 | C47 | 119.0° | 119.5° |
| C35 | C36 | H73 | 119.3° | 119.7° |
| C39 | C40 | C47 | 119.6° | 119.6° |
| C39 | C40 | C41 | 120.6° | 121.0° |
| C40 | C39 | H75 | 119.4° | 120.1° |
| F32 | C31 | C30 | 117.4° | 119.6° |
| F32 | C31 | C33 | 120.6° | 119.7° |
| C30 | C35 | C47 | 125.0° | 120.3° |
| C35 | C30 | C31 | 127.5° | 119.7° |
| C35 | C30 | C28 | 115.5° | 119.7° |
| C35 | C47 | C40 | 118.4° | 119.6° |
| C35 | C47 | C44 | 124.8° | 121.1° |
| C30 | C31 | C33 | 122.0° | 120.7° |
| C31 | C30 | C28 | 117.0° | 120.5° |
| C31 | C33 | C34 | 122.1° | 119.8° |
| C31 | C33 | H72 | 119.0° | 120.1° |
| C47 | C40 | C41 | 119.9° | 119.5° |
| C40 | C47 | C44 | 116.8° | 119.4° |
| C40 | C41 | C42 | 121.2° | 120.2° |
| C40 | C41 | H76 | 119.4° | 119.9° |
| C30 | C28 | F29 | 120.4° | 120.3° |
| C30 | C28 | C27 | 122.1° | 119.4° |
| C33 | C34 | C27 | 116.8° | 120.0° |
| C33 | C34 | C10 | 125.5° | 121.8° |
| C34 | C33 | H72 | 118.9° | 120.0° |
| C47 | C44 | C45 | 121.5° | 120.3° |
| C47 | C44 | C43 | 120.8° | 119.3° |
| F29 | C28 | C27 | 117.5° | 120.3° |
| C28 | C27 | C34 | 120.1° | 119.5° |
| C28 | C27 | N26 | 119.7° | 121.8° |
| C41 | C42 | C43 | 120.0° | 121.1° |
| C41 | C42 | H77 | 120.0° | 119.4° |
| C42 | C41 | H76 | 119.4° | 119.9° |
| C27 | C34 | C10 | 117.8° | 118.2° |
| C34 | C27 | N26 | 120.3° | 118.8° |
| C34 | C10 | N8 | 126.3° | 120.8° |
| C34 | C10 | N11 | 120.1° | 118.3° |
| C27 | N26 | C12 | 117.4° | 120.5° |
| C10 | N8 | C7 | 125.4° | 111.0° |
| C10 | N8 | C9 | 112.9° | 111.0° |
| N8 | C10 | N11 | 113.6° | 120.9° |
| C7 | N8 | C9 | 110.8° | 114.2° |
| N8 | C7 | C6 | 120.0° | 109.0° |
| N8 | C7 | H57 | 106.8° | 109.6° |
| N8 | C7 | H56 | 106.8° | 109.6° |
| N8 | C9 | C2 | 117.7° | 112.1° |
| N8 | C9 | H59 | 107.4° | 108.9° |
| N8 | C9 | H58 | 107.4° | 108.9° |
| C10 | N11 | C12 | 117.4° | 121.5° |
| C7 | C6 | O5 | 115.4° | 111.4° |
| C7 | C6 | H55 | 108.0° | 109.0° |
| C7 | C6 | H54 | 108.0° | 109.0° |
| C6 | C7 | H57 | 106.8° | 109.5° |
| C6 | C7 | H56 | 106.8° | 109.5° |
| C9 | C2 | C1 | 109.1° | 109.0° |
| C9 | C2 | C4 | 114.0° | 111.8° |
| C9 | C2 | O3 | 110.3° | 109.0° |
| C2 | C9 | H59 | 107.4° | 108.9° |
| C2 | C9 | H58 | 107.4° | 109.0° |
| N26 | C12 | N11 | 127.1° | 122.7° |
| N26 | C12 | O13 | 113.5° | 118.6° |
| C45 | C44 | C43 | 117.8° | 120.3° |
| C44 | C45 | C46 | 179.7° | 180.0° |
| C44 | C43 | C42 | 121.3° | 120.6° |
| C44 | C43 | H78 | 119.3° | 119.7° |
| N11 | C12 | O13 | 119.4° | 118.6° |
| C12 | O13 | C14 | 116.5° | 117.0° |
| N19 | C18 | C17 | 104.1° | 104.7° |
| C18 | N19 | C21 | 114.0° | 109.7° |
| C18 | N19 | C15 | 104.2° | 108.3° |
| N19 | C18 | H67 | 110.8° | 110.4° |
| N19 | C18 | H66 | 110.8° | 110.3° |
| C18 | C17 | C16 | 102.9° | 101.7° |
| C18 | C17 | H65 | 111.1° | 111.0° |
| C18 | C17 | H64 | 111.1° | 111.0° |
| C17 | C18 | H67 | 110.8° | 110.4° |
| C17 | C18 | H66 | 110.8° | 110.4° |
| C21 | N19 | C15 | 107.1° | 108.4° |
| N19 | C21 | C22 | 103.8° | 104.3° |
| N19 | C21 | H68 | 110.9° | 110.2° |
| N19 | C21 | H69 | 110.9° | 111.2° |
| N19 | C15 | C14 | 109.4° | 110.9° |
| N19 | C15 | C16 | 105.2° | 107.3° |
| N19 | C15 | C25 | 106.0° | 107.9° |
| C43 | C42 | H77 | 120.0° | 119.5° |
| C42 | C43 | H78 | 119.3° | 119.7° |
| C21 | C22 | F24 | 108.9° | 111.0° |
| C21 | C22 | C25 | 104.9° | 101.1° |
| C22 | C21 | H68 | 110.9° | 110.3° |
| C22 | C21 | H69 | 110.9° | 110.3° |
| C21 | C22 | H23 | 110.7° | 111.0° |
| C45 | C46 | H79 | 180.0° | 180.0° |
| O13 | C14 | C15 | 109.0° | 109.5° |
| O13 | C14 | H60 | 109.6° | 109.5° |
| O13 | C14 | H61 | 109.6° | 109.5° |
| C17 | C16 | C15 | 103.6° | 103.2° |
| C17 | C16 | H62 | 110.9° | 110.7° |
| C17 | C16 | H63 | 110.9° | 110.8° |
| C16 | C17 | H65 | 111.1° | 111.0° |
| C16 | C17 | H64 | 111.1° | 111.0° |
| C6 | O5 | C4 | 115.3° | 117.4° |
| O5 | C6 | H55 | 107.9° | 109.1° |
| O5 | C6 | H54 | 108.0° | 109.1° |
| C14 | C15 | C16 | 107.7° | 110.8° |
| C14 | C15 | C25 | 113.6° | 110.8° |
| C15 | C14 | H60 | 109.6° | 109.5° |
| C15 | C14 | H61 | 109.6° | 109.4° |
| C1 | C2 | C4 | 109.4° | 109.1° |
| C1 | C2 | O3 | 105.1° | 109.0° |
| C2 | C1 | H50 | 109.5° | 109.5° |
| C2 | C1 | H48 | 109.5° | 109.5° |
| C2 | C1 | H49 | 109.5° | 109.5° |
| C4 | C2 | O3 | 108.6° | 109.0° |
| C2 | C4 | O5 | 109.2° | 108.0° |
| C2 | C4 | H53 | 109.5° | 109.8° |
| C2 | C4 | H52 | 109.5° | 109.7° |
| C2 | O3 | H51 | 109.5° | 114.1° |
| C16 | C15 | C25 | 114.5° | 109.0° |
| C15 | C16 | H62 | 110.9° | 110.7° |
| C15 | C16 | H63 | 110.9° | 110.7° |
| C15 | C25 | C22 | 104.1° | 103.0° |
| C15 | C25 | H70 | 110.8° | 110.7° |
| C15 | C25 | H71 | 110.8° | 110.7° |
| O5 | C4 | H53 | 109.5° | 109.8° |
| O5 | C4 | H52 | 109.5° | 109.8° |
| F24 | C22 | C25 | 108.7° | 111.3° |
| F24 | C22 | H23 | 112.7° | 110.9° |
| C25 | C22 | H23 | 110.6° | 111.3° |
| C22 | C25 | H70 | 110.8° | 110.7° |
| C22 | C25 | H71 | 110.8° | 110.7° |
| H50 | C1 | H48 | 109.5° | 109.5° |
| H50 | C1 | H49 | 109.5° | 109.4° |
| H48 | C1 | H49 | 109.5° | 109.5° |
| H55 | C6 | H54 | 109.5° | 109.1° |
| H57 | C7 | H56 | 109.5° | 109.5° |
| H60 | C14 | H61 | 109.4° | 109.5° |
| H62 | C16 | H63 | 109.5° | 110.6° |
| H68 | C21 | H69 | 109.4° | 110.3° |
| H70 | C25 | H71 | 109.4° | 110.8° |
| H53 | C4 | H52 | 109.5° | 109.8° |
| H59 | C9 | H58 | 109.5° | 108.8° |
| H65 | C17 | H64 | 109.5° | 110.8° |
| H67 | C18 | H66 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C37 | C36 | C39 | 179.9° | 179.9° |
| O38 | C37 | C36 | C35 | 179.8° | 180.0° |
| O38 | C37 | C39 | C40 | 179.9° | 179.9° |
| O38 | C37 | C36 | H73 | 0.2° | 0.0° |
| O38 | C37 | C39 | H75 | 0.1° | 0.0° |
| C37 | C36 | C35 | H73 | 180.0° | 180.0° |
| C36 | C37 | C39 | C40 | 0.0° | 0.0° |
| C37 | C36 | C35 | C30 | 179.6° | 180.0° |
| C37 | C36 | C35 | C47 | 0.2° | 0.3° |
| C36 | C37 | C39 | H75 | 180.0° | 179.9° |
| C36 | C37 | O38 | H74 | 180.0° | 90.0° |
| C39 | C37 | C36 | C35 | 0.1° | 0.0° |
| C37 | C39 | C40 | H75 | 180.0° | 179.9° |
| C37 | C39 | C40 | C47 | 0.0° | 0.2° |
| C37 | C39 | C40 | C41 | 180.0° | 180.0° |
| C39 | C37 | C36 | H73 | 179.8° | 179.9° |
| C39 | C37 | O38 | H74 | 0.0° | 90.0° |
| C36 | C35 | C30 | C47 | 179.3° | 179.7° |
| C36 | C35 | C30 | C31 | 74.0° | 89.8° |
| C36 | C35 | C47 | C40 | 0.2° | 0.5° |
| C36 | C35 | C30 | C28 | 105.4° | 91.6° |
| C36 | C35 | C47 | C44 | 180.0° | 179.7° |
| C39 | C40 | C47 | C35 | 0.1° | 0.4° |
| C39 | C40 | C47 | C41 | 180.0° | 179.8° |
| C39 | C40 | C47 | C44 | 179.9° | 179.7° |
| C39 | C40 | C41 | C42 | 179.9° | 180.0° |
| C39 | C40 | C41 | H76 | 0.1° | 0.0° |
| F32 | C31 | C30 | C35 | 0.3° | 0.0° |
| F32 | C31 | C30 | C33 | 179.9° | 180.0° |
| F32 | C31 | C30 | C28 | 179.7° | 178.6° |
| F32 | C31 | C33 | C34 | 180.0° | 178.1° |
| F32 | C31 | C33 | H72 | 0.0° | 0.0° |
| C35 | C30 | C31 | C28 | 179.4° | 178.6° |
| C35 | C30 | C31 | C33 | 179.8° | 180.0° |
| C30 | C35 | C47 | C40 | 179.5° | 179.8° |
| C30 | C35 | C47 | C44 | 0.7° | 0.1° |
| C35 | C30 | C28 | F29 | 0.5° | 1.4° |
| C35 | C30 | C28 | C27 | 179.9° | 178.7° |
| C30 | C35 | C36 | H73 | 0.4° | 0.1° |
| C47 | C35 | C30 | C31 | 106.7° | 90.0° |
| C35 | C47 | C40 | C44 | 179.9° | 179.8° |
| C35 | C47 | C40 | C41 | 179.9° | 179.7° |
| C47 | C35 | C30 | C28 | 73.9° | 88.7° |
| C35 | C47 | C44 | C45 | 0.1° | 0.1° |
| C35 | C47 | C44 | C43 | 179.9° | 179.2° |
| C47 | C35 | C36 | H73 | 179.8° | 179.7° |
| C30 | C31 | C33 | C34 | 0.2° | 1.9° |
| C31 | C30 | C28 | F29 | 180.0° | 180.0° |
| C31 | C30 | C28 | C27 | 0.4° | 0.0° |
| C30 | C31 | C33 | H72 | 179.8° | 180.0° |
| C33 | C31 | C30 | C28 | 0.4° | 1.3° |
| C31 | C33 | C34 | H72 | 180.0° | 178.1° |
| C31 | C33 | C34 | C27 | 0.1° | 1.1° |
| C31 | C33 | C34 | C10 | 180.0° | 178.9° |
| C47 | C40 | C41 | C42 | 0.1° | 0.2° |
| C40 | C47 | C44 | C45 | 179.9° | 179.8° |
| C40 | C47 | C44 | C43 | 0.1° | 0.7° |
| C47 | C40 | C39 | H75 | 180.0° | 179.7° |
| C47 | C40 | C41 | H76 | 179.9° | 179.8° |
| C41 | C40 | C47 | C44 | 0.1° | 0.1° |
| C40 | C41 | C42 | H76 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.1° | 0.0° |
| C41 | C40 | C39 | H75 | 0.0° | 0.1° |
| C40 | C41 | C42 | H77 | 179.9° | 179.4° |
| C30 | C28 | F29 | C27 | 179.6° | 180.0° |
| C30 | C28 | C27 | C34 | 0.2° | 0.7° |
| C30 | C28 | C27 | N26 | 179.8° | 179.9° |
| C33 | C34 | C27 | C28 | 0.1° | 0.2° |
| C33 | C34 | C27 | C10 | 179.9° | 180.0° |
| C33 | C34 | C27 | N26 | 180.0° | 179.5° |
| C33 | C34 | C10 | N8 | 0.3° | 0.3° |
| C33 | C34 | C10 | N11 | 179.8° | 179.9° |
| C47 | C44 | C45 | C43 | 180.0° | 179.1° |
| C47 | C44 | C43 | C42 | 0.1° | 0.9° |
| C47 | C44 | C45 | C46 | 174.2° | 162.0° |
| C47 | C44 | C43 | H78 | 179.9° | 179.0° |
| F29 | C28 | C27 | C34 | 179.8° | 179.3° |
| F29 | C28 | C27 | N26 | 0.2° | 0.0° |
| C28 | C27 | C34 | N26 | 180.0° | 179.3° |
| C28 | C27 | C34 | C10 | 180.0° | 179.8° |
| C28 | C27 | N26 | C12 | 179.9° | 180.0° |
| C41 | C42 | C43 | C44 | 0.1° | 0.6° |
| C41 | C42 | C43 | H77 | 180.0° | 179.4° |
| C41 | C42 | C43 | H78 | 179.9° | 179.3° |
| C27 | C34 | C10 | N8 | 179.7° | 179.8° |
| C27 | C34 | C10 | N11 | 0.1° | 0.0° |
| C34 | C27 | N26 | C12 | 0.1° | 0.7° |
| C27 | C34 | C33 | H72 | 179.9° | 179.2° |
| C10 | C34 | C27 | N26 | 0.0° | 0.5° |
| C34 | C10 | N8 | N11 | 179.8° | 179.8° |
| C34 | C10 | N8 | C7 | 172.8° | 55.8° |
| C34 | C10 | N8 | C9 | 46.5° | 176.1° |
| C34 | C10 | N11 | C12 | 0.1° | 0.2° |
| C10 | C34 | C33 | H72 | 0.0° | 0.8° |
| C27 | N26 | C12 | N11 | 0.1° | 0.5° |
| C27 | N26 | C12 | O13 | 179.8° | 179.5° |
| C10 | N8 | C7 | C9 | 141.4° | 126.3° |
| C10 | N8 | C7 | C6 | 59.4° | 140.2° |
| C10 | N8 | C9 | C2 | 83.3° | 168.2° |
| N8 | C10 | N11 | C12 | 179.7° | 180.0° |
| C10 | N8 | C7 | H57 | 179.1° | 100.0° |
| C10 | N8 | C7 | H56 | 62.0° | 20.3° |
| C10 | N8 | C9 | H59 | 37.9° | 71.1° |
| C10 | N8 | C9 | H58 | 155.5° | 47.5° |
| C7 | N8 | C10 | N11 | 7.4° | 124.0° |
| N8 | C7 | C6 | H57 | 121.5° | 119.9° |
| N8 | C7 | C6 | H56 | 121.5° | 120.0° |
| C7 | N8 | C9 | C2 | 63.2° | 41.9° |
| N8 | C7 | C6 | O5 | 43.5° | 75.9° |
| N8 | C7 | C6 | H55 | 164.4° | 44.6° |
| N8 | C7 | C6 | H54 | 77.3° | 163.6° |
| N8 | C7 | H57 | H56 | 115.3° | 120.3° |
| C7 | N8 | C9 | H59 | 175.6° | 162.5° |
| C7 | N8 | C9 | H58 | 58.0° | 78.9° |
| C9 | N8 | C10 | N11 | 133.3° | 4.1° |
| C9 | N8 | C7 | C6 | 82.0° | 93.5° |
| N8 | C9 | C2 | H59 | 121.2° | 120.7° |
| N8 | C9 | C2 | H58 | 121.2° | 120.7° |
| N8 | C9 | C2 | C1 | 177.8° | 161.8° |
| N8 | C9 | C2 | C4 | 55.1° | 41.2° |
| N8 | C9 | C2 | O3 | 67.3° | 79.4° |
| C9 | N8 | C7 | H57 | 39.5° | 26.3° |
| C9 | N8 | C7 | H56 | 156.6° | 146.6° |
| N8 | C9 | H59 | H58 | 116.3° | 118.7° |
| C10 | N11 | C12 | N26 | 0.0° | 0.0° |
| C10 | N11 | C12 | O13 | 179.9° | 180.0° |
| C7 | C6 | O5 | H55 | 120.9° | 120.5° |
| C7 | C6 | O5 | H54 | 120.9° | 120.4° |
| C7 | C6 | O5 | C4 | 39.5° | 61.4° |
| C7 | C6 | H55 | H54 | 117.3° | 118.9° |
| C6 | C7 | H57 | H56 | 115.2° | 120.1° |
| C9 | C2 | C1 | C4 | 125.4° | 122.3° |
| C9 | C2 | C1 | O3 | 118.2° | 118.8° |
| C9 | C2 | C4 | O3 | 123.4° | 120.5° |
| C9 | C2 | C4 | O5 | 77.4° | 91.9° |
| C9 | C2 | C1 | H50 | 180.0° | 177.7° |
| C9 | C2 | C1 | H48 | 60.0° | 57.7° |
| C9 | C2 | C1 | H49 | 60.0° | 62.3° |
| C9 | C2 | O3 | H51 | 180.0° | 178.8° |
| C9 | C2 | C4 | H53 | 162.7° | 148.4° |
| C9 | C2 | C4 | H52 | 42.6° | 27.7° |
| C2 | C9 | H59 | H58 | 116.3° | 118.7° |
| N26 | C12 | N11 | O13 | 179.9° | 179.9° |
| N26 | C12 | O13 | C14 | 176.8° | 0.0° |
| C45 | C44 | C43 | C42 | 179.9° | 180.0° |
| C45 | C44 | C43 | H78 | 0.1° | 0.1° |
| C44 | C45 | C46 | H79 | 136.9° | 129.3° |
| C44 | C43 | C42 | H78 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 5.8° | 17.1° |
| C44 | C43 | C42 | H77 | 179.9° | 179.9° |
| N11 | C12 | O13 | C14 | 3.2° | 180.0° |
| C12 | O13 | C14 | C15 | 167.1° | 180.0° |
| C12 | O13 | C14 | H60 | 72.9° | 60.0° |
| C12 | O13 | C14 | H61 | 47.2° | 60.0° |
| N19 | C18 | C17 | H67 | 119.1° | 118.8° |
| N19 | C18 | C17 | H66 | 119.1° | 118.7° |
| C18 | N19 | C21 | C15 | 114.8° | 118.1° |
| C18 | N19 | C21 | C22 | 87.6° | 142.3° |
| N19 | C18 | C17 | C16 | 45.2° | 37.7° |
| C18 | N19 | C15 | C14 | 122.5° | 118.5° |
| C18 | N19 | C15 | C16 | 7.1° | 2.6° |
| C18 | N19 | C15 | C25 | 114.6° | 119.9° |
| C18 | N19 | C21 | H68 | 31.5° | 99.3° |
| C18 | N19 | C21 | H69 | 153.3° | 23.4° |
| N19 | C18 | C17 | H65 | 73.7° | 80.4° |
| N19 | C18 | C17 | H64 | 164.2° | 155.8° |
| N19 | C18 | H67 | H66 | 122.5° | 122.3° |
| C17 | C18 | N19 | C21 | 148.2° | 92.7° |
| C17 | C18 | N19 | C15 | 31.8° | 25.4° |
| C18 | C17 | C16 | H65 | 118.9° | 118.1° |
| C18 | C17 | C16 | H64 | 119.0° | 118.2° |
| C18 | C17 | C16 | C15 | 39.8° | 35.3° |
| C18 | C17 | C16 | H62 | 158.8° | 153.7° |
| C18 | C17 | C16 | H63 | 79.3° | 83.2° |
| C18 | C17 | H65 | H64 | 123.0° | 123.9° |
| C17 | C18 | H67 | H66 | 122.5° | 122.4° |
| N19 | C21 | C22 | H68 | 119.1° | 118.4° |
| N19 | C21 | C22 | H69 | 119.1° | 119.5° |
| C21 | N19 | C15 | C14 | 116.4° | 122.5° |
| C21 | N19 | C15 | C16 | 128.2° | 116.4° |
| C21 | N19 | C15 | C25 | 6.5° | 0.9° |
| N19 | C21 | C22 | F24 | 78.1° | 155.6° |
| N19 | C21 | C22 | C25 | 38.0° | 37.6° |
| N19 | C21 | H68 | H69 | 122.6° | 123.2° |
| N19 | C21 | C22 | H23 | 157.4° | 80.6° |
| C21 | N19 | C18 | H67 | 92.6° | 26.1° |
| C21 | N19 | C18 | H66 | 29.1° | 148.5° |
| C15 | N19 | C21 | C22 | 27.2° | 24.2° |
| N19 | C15 | C14 | O13 | 71.8° | 180.0° |
| N19 | C15 | C16 | C17 | 19.9° | 21.1° |
| N19 | C15 | C14 | C16 | 113.9° | 119.0° |
| N19 | C15 | C14 | C25 | 118.2° | 119.8° |
| N19 | C15 | C16 | C25 | 116.0° | 116.6° |
| N19 | C15 | C25 | C22 | 16.7° | 23.1° |
| N19 | C15 | C14 | H60 | 168.2° | 60.0° |
| N19 | C15 | C14 | H61 | 48.1° | 60.0° |
| N19 | C15 | C16 | H62 | 138.9° | 139.5° |
| N19 | C15 | C16 | H63 | 99.2° | 97.5° |
| C15 | N19 | C21 | H68 | 146.3° | 142.6° |
| C15 | N19 | C21 | H69 | 92.0° | 94.7° |
| N19 | C15 | C25 | H70 | 102.5° | 141.5° |
| N19 | C15 | C25 | H71 | 135.8° | 95.3° |
| C15 | N19 | C18 | H67 | 150.9° | 144.3° |
| C15 | N19 | C18 | H66 | 87.4° | 93.4° |
| C43 | C42 | C41 | H76 | 179.9° | 180.0° |
| C21 | C22 | C25 | C15 | 33.7° | 36.2° |
| C21 | C22 | F24 | C25 | 113.8° | 111.7° |
| C21 | C22 | F24 | H23 | 123.2° | 123.9° |
| C21 | C22 | C25 | H23 | 119.4° | 117.9° |
| C22 | C21 | H68 | H69 | 122.7° | 122.2° |
| C21 | C22 | C25 | H70 | 85.4° | 154.5° |
| C21 | C22 | C25 | H71 | 152.9° | 82.3° |
| O13 | C14 | C15 | H60 | 120.0° | 120.0° |
| O13 | C14 | C15 | H61 | 119.9° | 120.0° |
| O13 | C14 | C15 | C16 | 174.3° | 61.0° |
| O13 | C14 | C15 | C25 | 46.4° | 60.2° |
| O13 | C14 | H60 | H61 | 120.2° | 120.0° |
| C17 | C16 | C15 | C14 | 96.8° | 142.3° |
| C17 | C16 | C15 | H62 | 119.0° | 118.4° |
| C17 | C16 | C15 | H63 | 119.1° | 118.6° |
| C17 | C16 | C15 | C25 | 135.8° | 95.5° |
| C17 | C16 | H62 | H63 | 122.7° | 123.2° |
| C16 | C17 | H65 | H64 | 123.0° | 123.9° |
| C16 | C17 | C18 | H67 | 164.4° | 156.5° |
| C16 | C17 | C18 | H66 | 73.9° | 81.1° |
| C6 | O5 | C4 | C2 | 91.7° | 80.8° |
| O5 | C6 | H55 | H54 | 117.3° | 119.1° |
| O5 | C6 | C7 | H57 | 77.9° | 43.9° |
| O5 | C6 | C7 | H56 | 165.0° | 164.1° |
| C6 | O5 | C4 | H53 | 148.4° | 159.6° |
| C6 | O5 | C4 | H52 | 28.3° | 38.8° |
| C14 | C15 | C16 | C25 | 127.4° | 122.2° |
| C14 | C15 | C25 | C22 | 136.9° | 98.5° |
| C15 | C14 | H60 | H61 | 120.2° | 120.0° |
| C14 | C15 | C16 | H62 | 22.3° | 99.3° |
| C14 | C15 | C16 | H63 | 144.2° | 23.7° |
| C14 | C15 | C25 | H70 | 17.7° | 19.9° |
| C14 | C15 | C25 | H71 | 104.0° | 143.1° |
| C1 | C2 | C4 | O3 | 114.2° | 118.9° |
| C1 | C2 | C4 | O5 | 160.2° | 147.5° |
| C2 | C1 | H50 | H48 | 120.0° | 120.1° |
| C2 | C1 | H50 | H49 | 120.0° | 120.0° |
| C2 | C1 | H48 | H49 | 120.0° | 120.0° |
| C1 | C2 | O3 | H51 | 62.6° | 60.0° |
| C1 | C2 | C4 | H53 | 40.2° | 27.8° |
| C1 | C2 | C4 | H52 | 79.9° | 92.9° |
| C1 | C2 | C9 | H59 | 61.0° | 41.1° |
| C1 | C2 | C9 | H58 | 56.6° | 77.5° |
| C2 | C4 | O5 | H53 | 119.9° | 119.7° |
| C2 | C4 | O5 | H52 | 119.9° | 119.6° |
| C4 | C2 | C1 | H50 | 54.6° | 60.0° |
| C4 | C2 | C1 | H48 | 174.6° | 180.0° |
| C4 | C2 | C1 | H49 | 65.4° | 60.0° |
| C4 | C2 | O3 | H51 | 54.4° | 58.9° |
| C2 | C4 | H53 | H52 | 120.1° | 120.7° |
| C4 | C2 | C9 | H59 | 176.3° | 79.5° |
| C4 | C2 | C9 | H58 | 66.0° | 161.9° |
| O3 | C2 | C4 | O5 | 46.0° | 28.6° |
| O3 | C2 | C1 | H50 | 61.8° | 59.0° |
| O3 | C2 | C1 | H48 | 58.2° | 61.1° |
| O3 | C2 | C1 | H49 | 178.2° | 178.9° |
| O3 | C2 | C4 | H53 | 73.9° | 91.1° |
| O3 | C2 | C4 | H52 | 165.9° | 148.2° |
| O3 | C2 | C9 | H59 | 53.9° | 159.9° |
| O3 | C2 | C9 | H58 | 171.5° | 41.3° |
| C16 | C15 | C25 | C22 | 98.8° | 139.3° |
| C16 | C15 | C14 | H60 | 54.4° | 179.0° |
| C16 | C15 | C14 | H61 | 65.7° | 59.0° |
| C15 | C16 | H62 | H63 | 122.7° | 123.0° |
| C16 | C15 | C25 | H70 | 142.0° | 102.3° |
| C16 | C15 | C25 | H71 | 20.3° | 20.9° |
| C15 | C16 | C17 | H65 | 79.2° | 82.7° |
| C15 | C16 | C17 | H64 | 158.7° | 153.5° |
| C15 | C25 | C22 | F24 | 82.6° | 154.0° |
| C15 | C25 | C22 | H70 | 119.2° | 118.3° |
| C15 | C25 | C22 | H71 | 119.1° | 118.4° |
| C25 | C15 | C14 | H60 | 73.5° | 59.9° |
| C25 | C15 | C14 | H61 | 166.3° | 179.8° |
| C25 | C15 | C16 | H62 | 105.1° | 22.9° |
| C25 | C15 | C16 | H63 | 16.8° | 145.9° |
| C15 | C25 | C22 | H23 | 153.1° | 81.8° |
| C15 | C25 | H70 | H71 | 122.5° | 123.2° |
| C4 | O5 | C6 | H55 | 81.3° | 59.1° |
| C4 | O5 | C6 | H54 | 160.4° | 178.3° |
| O5 | C4 | H53 | H52 | 120.2° | 120.8° |
| F24 | C22 | C25 | H23 | 124.3° | 124.2° |
| F24 | C22 | C21 | H68 | 41.0° | 86.0° |
| F24 | C22 | C21 | H69 | 162.8° | 36.2° |
| F24 | C22 | C25 | H70 | 158.3° | 87.7° |
| F24 | C22 | C25 | H71 | 36.6° | 35.6° |
| C25 | C22 | C21 | H68 | 157.1° | 155.9° |
| C25 | C22 | C21 | H69 | 81.1° | 81.9° |
| C22 | C25 | H70 | H71 | 122.5° | 123.2° |
| H50 | C1 | H48 | H49 | 120.0° | 119.9° |
| H55 | C6 | C7 | H57 | 42.9° | 164.5° |
| H55 | C6 | C7 | H56 | 74.1° | 75.4° |
| H54 | C6 | C7 | H57 | 161.2° | 76.5° |
| H54 | C6 | C7 | H56 | 44.1° | 43.6° |
| H62 | C16 | C17 | H65 | 39.9° | 35.7° |
| H62 | C16 | C17 | H64 | 82.2° | 88.1° |
| H63 | C16 | C17 | H65 | 161.8° | 158.8° |
| H63 | C16 | C17 | H64 | 39.7° | 35.0° |
| H68 | C21 | C22 | H23 | 83.5° | 37.8° |
| H69 | C21 | C22 | H23 | 38.3° | 159.9° |
| H23 | C22 | C25 | H70 | 34.0° | 36.6° |
| H23 | C22 | C25 | H71 | 87.7° | 159.8° |
| H77 | C42 | C43 | H78 | 0.1° | 0.0° |
| H77 | C42 | C41 | H76 | 0.1° | 0.6° |
| H65 | C17 | C18 | H67 | 45.4° | 38.4° |
| H65 | C17 | C18 | H66 | 167.1° | 160.8° |
| H64 | C17 | C18 | H67 | 76.7° | 85.4° |
| H64 | C17 | C18 | H66 | 45.1° | 37.1° |
