A1JU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C36 | sing | 1.36Å | 1.37Å | |
| C36 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.40Å | 1.41Å | Aromatic |
| F31 | C30 | sing | 1.35Å | 1.35Å | |
| C34 | C29 | sing | 1.48Å | 1.50Å | |
| C34 | C46 | doub | 1.41Å | 1.44Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.37Å | Aromatic |
| C30 | C32 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C39 | C46 | sing | 1.41Å | 1.43Å | Aromatic |
| C39 | C40 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.35Å | |
| C27 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C46 | C43 | sing | 1.41Å | 1.44Å | Aromatic |
| C33 | C26 | sing | 1.42Å | 1.41Å | Aromatic |
| C33 | C11 | doub | 1.42Å | 1.44Å | Aromatic |
| N9 | C8 | sing | 1.47Å | 1.47Å | |
| N9 | C11 | sing | 1.38Å | 1.39Å | |
| N9 | C10 | sing | 1.47Å | 1.48Å | |
| C8 | C6 | sing | 1.56Å | 1.53Å | |
| C26 | N25 | doub | 1.34Å | 1.37Å | Aromatic |
| C11 | N12 | sing | 1.32Å | 1.34Å | Aromatic |
| C40 | C41 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C2 | sing | 1.54Å | 1.53Å | |
| C19 | N20 | sing | 1.48Å | 1.50Å | |
| C19 | C18 | sing | 1.55Å | 1.48Å | |
| N25 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| N12 | C13 | doub | 1.33Å | 1.33Å | Aromatic |
| N20 | C21 | sing | 1.48Å | 1.49Å | |
| N20 | C16 | sing | 1.48Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C13 | O14 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.55Å | 1.51Å | |
| C6 | N47 | sing | 1.49Å | 1.51Å | |
| C6 | C4 | sing | 1.55Å | 1.55Å | |
| C21 | C22 | sing | 1.58Å | 1.53Å | |
| N47 | C2 | sing | 1.49Å | 1.50Å | |
| C43 | C44 | sing | 1.43Å | 1.44Å | |
| C43 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.37Å | Aromatic |
| O14 | C15 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C44 | C45 | trip | 1.17Å | 1.17Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C16 | C24 | sing | 1.54Å | 1.55Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C4 | O5 | sing | 1.43Å | 1.42Å | |
| C22 | F23 | sing | 1.40Å | 1.40Å | |
| C22 | C24 | sing | 1.55Å | 1.53Å | |
| C1 | H54 | sing | 1.09Å | 1.10Å | |
| C1 | H55 | sing | 1.09Å | 1.10Å | |
| C1 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | H57 | sing | 1.09Å | 1.10Å | |
| C3 | H56 | sing | 1.09Å | 1.10Å | |
| C7 | H59 | sing | 1.09Å | 1.10Å | |
| C7 | H60 | sing | 1.09Å | 1.10Å | |
| C7 | H61 | sing | 1.09Å | 1.10Å | |
| C8 | H63 | sing | 1.09Å | 1.10Å | |
| C8 | H62 | sing | 1.09Å | 1.10Å | |
| C10 | H64 | sing | 1.09Å | 1.10Å | |
| C10 | H65 | sing | 1.09Å | 1.10Å | |
| C15 | H66 | sing | 1.09Å | 1.10Å | |
| C15 | H67 | sing | 1.09Å | 1.10Å | |
| C19 | H73 | sing | 1.09Å | 1.10Å | |
| C19 | H72 | sing | 1.09Å | 1.10Å | |
| C21 | H74 | sing | 1.09Å | 1.10Å | |
| C21 | H75 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C24 | H76 | sing | 1.09Å | 1.10Å | |
| C24 | H77 | sing | 1.09Å | 1.10Å | |
| C35 | H79 | sing | 1.08Å | 1.08Å | |
| C38 | H81 | sing | 1.08Å | 1.08Å | |
| C40 | H82 | sing | 1.08Å | 1.08Å | |
| C42 | H84 | sing | 1.08Å | 1.08Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| O5 | H58 | sing | 0.97Å | 0.95Å | |
| C17 | H68 | sing | 1.09Å | 1.10Å | |
| C17 | H69 | sing | 1.09Å | 1.10Å | |
| C18 | H71 | sing | 1.09Å | 1.10Å | |
| C18 | H70 | sing | 1.09Å | 1.10Å | |
| C32 | H78 | sing | 1.08Å | 1.08Å | |
| O37 | H80 | sing | 0.97Å | 0.95Å | |
| C41 | H83 | sing | 1.08Å | 1.08Å | |
| C45 | H85 | sing | 1.05Å | 1.06Å | |
| N47 | H51 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C36 | C35 | 119.7° | 119.6° |
| O37 | C36 | C38 | 120.1° | 119.6° |
| C36 | O37 | H80 | 109.5° | 114.0° |
| C35 | C36 | C38 | 120.2° | 120.8° |
| C36 | C35 | C34 | 121.8° | 120.6° |
| C36 | C35 | H79 | 119.1° | 119.7° |
| C36 | C38 | C39 | 120.8° | 119.9° |
| C36 | C38 | H81 | 119.6° | 120.0° |
| C35 | C34 | C29 | 113.4° | 120.3° |
| C35 | C34 | C46 | 119.4° | 119.5° |
| C34 | C35 | H79 | 119.1° | 119.7° |
| C38 | C39 | C46 | 119.8° | 119.5° |
| C38 | C39 | C40 | 120.8° | 121.0° |
| C39 | C38 | H81 | 119.6° | 120.0° |
| F31 | C30 | C29 | 117.1° | 119.6° |
| F31 | C30 | C32 | 120.5° | 119.7° |
| C29 | C34 | C46 | 127.2° | 120.2° |
| C34 | C29 | C30 | 127.6° | 119.8° |
| C34 | C29 | C27 | 114.6° | 119.7° |
| C34 | C46 | C39 | 118.0° | 119.6° |
| C34 | C46 | C43 | 124.6° | 121.0° |
| C29 | C30 | C32 | 122.3° | 120.7° |
| C30 | C29 | C27 | 117.8° | 120.5° |
| C30 | C32 | C33 | 120.9° | 119.9° |
| C30 | C32 | H78 | 119.6° | 120.0° |
| C29 | C27 | F28 | 120.9° | 120.3° |
| C29 | C27 | C26 | 121.7° | 119.3° |
| C32 | C33 | C26 | 117.8° | 120.1° |
| C32 | C33 | C11 | 125.0° | 121.8° |
| C33 | C32 | H78 | 119.6° | 120.1° |
| C46 | C39 | C40 | 119.4° | 119.5° |
| C39 | C46 | C43 | 117.4° | 119.4° |
| C39 | C40 | C41 | 121.2° | 120.1° |
| C39 | C40 | H82 | 119.4° | 119.9° |
| F28 | C27 | C26 | 117.3° | 120.3° |
| C27 | C26 | C33 | 119.4° | 119.5° |
| C27 | C26 | N25 | 120.4° | 121.7° |
| C46 | C43 | C44 | 122.0° | 120.4° |
| C46 | C43 | C42 | 120.3° | 119.2° |
| C26 | C33 | C11 | 117.2° | 118.2° |
| C33 | C26 | N25 | 120.2° | 118.8° |
| C33 | C11 | N9 | 121.2° | 120.8° |
| C33 | C11 | N12 | 121.0° | 118.3° |
| C8 | N9 | C11 | 121.5° | 111.0° |
| C8 | N9 | C10 | 114.1° | 111.6° |
| N9 | C8 | C6 | 115.8° | 108.7° |
| N9 | C8 | H63 | 107.9° | 109.1° |
| N9 | C8 | H62 | 107.9° | 110.4° |
| C11 | N9 | C10 | 114.0° | 111.5° |
| N9 | C11 | N12 | 117.9° | 120.9° |
| N9 | C10 | C2 | 116.2° | 109.0° |
| N9 | C10 | H64 | 107.8° | 109.5° |
| N9 | C10 | H65 | 107.8° | 109.7° |
| C8 | C6 | C7 | 108.2° | 113.3° |
| C8 | C6 | N47 | 109.5° | 106.1° |
| C8 | C6 | C4 | 110.9° | 108.1° |
| C6 | C8 | H63 | 107.8° | 109.5° |
| C6 | C8 | H62 | 107.9° | 109.6° |
| C26 | N25 | C13 | 116.9° | 120.4° |
| C11 | N12 | C13 | 116.7° | 121.5° |
| C40 | C41 | C42 | 120.3° | 121.1° |
| C41 | C40 | H82 | 119.4° | 120.0° |
| C40 | C41 | H83 | 119.8° | 119.4° |
| C10 | C2 | N47 | 106.2° | 107.5° |
| C10 | C2 | C1 | 110.3° | 112.3° |
| C10 | C2 | C3 | 111.0° | 107.6° |
| C2 | C10 | H64 | 107.8° | 109.6° |
| C2 | C10 | H65 | 107.8° | 109.6° |
| N20 | C19 | C18 | 103.8° | 104.7° |
| C19 | N20 | C21 | 112.6° | 109.7° |
| C19 | N20 | C16 | 106.5° | 108.3° |
| N20 | C19 | H73 | 110.9° | 110.4° |
| N20 | C19 | H72 | 110.9° | 110.4° |
| C19 | C18 | C17 | 103.3° | 101.6° |
| C18 | C19 | H73 | 110.9° | 110.4° |
| C18 | C19 | H72 | 110.9° | 110.4° |
| C19 | C18 | H71 | 111.0° | 111.0° |
| C19 | C18 | H70 | 111.0° | 111.0° |
| N25 | C13 | N12 | 128.2° | 122.8° |
| N25 | C13 | O14 | 115.3° | 118.6° |
| N12 | C13 | O14 | 116.6° | 118.6° |
| C21 | N20 | C16 | 108.8° | 108.4° |
| N20 | C21 | C22 | 103.5° | 104.3° |
| N20 | C21 | H74 | 110.9° | 110.3° |
| N20 | C21 | H75 | 110.9° | 111.1° |
| N20 | C16 | C15 | 111.0° | 110.9° |
| N20 | C16 | C17 | 104.5° | 107.3° |
| N20 | C16 | C24 | 105.4° | 107.9° |
| C7 | C6 | N47 | 112.3° | 112.5° |
| C7 | C6 | C4 | 114.6° | 112.4° |
| C6 | C7 | H59 | 109.5° | 109.4° |
| C6 | C7 | H60 | 109.5° | 109.5° |
| C6 | C7 | H61 | 109.5° | 109.5° |
| C13 | O14 | C15 | 118.2° | 117.0° |
| C18 | C17 | C16 | 103.9° | 103.2° |
| C18 | C17 | H68 | 110.9° | 110.7° |
| C18 | C17 | H69 | 110.9° | 110.8° |
| C17 | C18 | H71 | 111.0° | 111.0° |
| C17 | C18 | H70 | 111.0° | 111.0° |
| N47 | C6 | C4 | 101.2° | 104.0° |
| C6 | N47 | C2 | 102.4° | 103.0° |
| C6 | N47 | H51 | 111.2° | 111.0° |
| C6 | C4 | C3 | 105.2° | 104.7° |
| C6 | C4 | O5 | 111.9° | 110.4° |
| C6 | C4 | H48 | 108.2° | 110.4° |
| C21 | C22 | F23 | 108.7° | 111.0° |
| C21 | C22 | C24 | 104.9° | 101.1° |
| C22 | C21 | H74 | 110.9° | 110.4° |
| C22 | C21 | H75 | 110.9° | 110.3° |
| C21 | C22 | H50 | 110.7° | 111.0° |
| N47 | C2 | C1 | 113.0° | 112.5° |
| N47 | C2 | C3 | 103.0° | 104.0° |
| C2 | N47 | H51 | 111.2° | 111.0° |
| C44 | C43 | C42 | 117.6° | 120.4° |
| C43 | C44 | C45 | 178.7° | 180.0° |
| C43 | C42 | C41 | 121.4° | 120.6° |
| C43 | C42 | H84 | 119.3° | 119.7° |
| C41 | C42 | H84 | 119.3° | 119.7° |
| C42 | C41 | H83 | 119.9° | 119.5° |
| O14 | C15 | C16 | 108.4° | 109.5° |
| O14 | C15 | H66 | 109.7° | 109.5° |
| O14 | C15 | H67 | 109.7° | 109.5° |
| C1 | C2 | C3 | 112.9° | 112.4° |
| C2 | C1 | H54 | 109.5° | 109.5° |
| C2 | C1 | H55 | 109.5° | 109.5° |
| C2 | C1 | H53 | 109.5° | 109.5° |
| C2 | C3 | C4 | 104.8° | 104.7° |
| C2 | C3 | H57 | 110.6° | 110.4° |
| C2 | C3 | H56 | 110.6° | 110.4° |
| C44 | C45 | H85 | 180.0° | 179.9° |
| C15 | C16 | C17 | 110.0° | 110.8° |
| C15 | C16 | C24 | 111.2° | 110.8° |
| C16 | C15 | H66 | 109.8° | 109.5° |
| C16 | C15 | H67 | 109.7° | 109.4° |
| C17 | C16 | C24 | 114.5° | 109.0° |
| C16 | C17 | H68 | 110.9° | 110.7° |
| C16 | C17 | H69 | 110.9° | 110.7° |
| C16 | C24 | C22 | 104.3° | 103.0° |
| C16 | C24 | H76 | 110.7° | 110.7° |
| C16 | C24 | H77 | 110.8° | 110.7° |
| C3 | C4 | O5 | 112.9° | 110.4° |
| C4 | C3 | H57 | 110.6° | 110.4° |
| C4 | C3 | H56 | 110.6° | 110.5° |
| C3 | C4 | H48 | 108.4° | 110.4° |
| O5 | C4 | H48 | 110.0° | 110.4° |
| C4 | O5 | H58 | 109.5° | 114.0° |
| F23 | C22 | C24 | 108.8° | 111.2° |
| F23 | C22 | H50 | 112.7° | 110.9° |
| C24 | C22 | H50 | 110.7° | 111.3° |
| C22 | C24 | H76 | 110.7° | 110.7° |
| C22 | C24 | H77 | 110.7° | 110.7° |
| H54 | C1 | H55 | 109.5° | 109.5° |
| H54 | C1 | H53 | 109.4° | 109.4° |
| H55 | C1 | H53 | 109.4° | 109.4° |
| H57 | C3 | H56 | 109.5° | 110.3° |
| H59 | C7 | H60 | 109.5° | 109.5° |
| H59 | C7 | H61 | 109.5° | 109.5° |
| H60 | C7 | H61 | 109.5° | 109.5° |
| H63 | C8 | H62 | 109.5° | 109.6° |
| H64 | C10 | H65 | 109.5° | 109.6° |
| H66 | C15 | H67 | 109.5° | 109.5° |
| H73 | C19 | H72 | 109.4° | 110.4° |
| H74 | C21 | H75 | 109.5° | 110.3° |
| H76 | C24 | H77 | 109.5° | 110.8° |
| H68 | C17 | H69 | 109.4° | 110.6° |
| H71 | C18 | H70 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C36 | C35 | C38 | 179.9° | 179.9° |
| O37 | C36 | C35 | C34 | 179.8° | 180.0° |
| O37 | C36 | C38 | C39 | 179.9° | 180.0° |
| O37 | C36 | C35 | H79 | 0.2° | 0.3° |
| O37 | C36 | C38 | H81 | 0.1° | 0.1° |
| C36 | C35 | C34 | H79 | 180.0° | 179.7° |
| C35 | C36 | C38 | C39 | 0.0° | 0.1° |
| C36 | C35 | C34 | C29 | 179.4° | 179.7° |
| C36 | C35 | C34 | C46 | 0.3° | 0.1° |
| C35 | C36 | C38 | H81 | 180.0° | 180.0° |
| C35 | C36 | O37 | H80 | 180.0° | 90.0° |
| C38 | C36 | C35 | C34 | 0.1° | 0.1° |
| C36 | C38 | C39 | H81 | 180.0° | 179.9° |
| C36 | C38 | C39 | C46 | 0.0° | 0.1° |
| C36 | C38 | C39 | C40 | 180.0° | 179.9° |
| C38 | C36 | C35 | H79 | 179.9° | 179.8° |
| C38 | C36 | O37 | H80 | 0.1° | 90.1° |
| C35 | C34 | C29 | C46 | 179.0° | 179.8° |
| C35 | C34 | C29 | C30 | 74.8° | 85.0° |
| C35 | C34 | C29 | C27 | 104.4° | 94.9° |
| C35 | C34 | C46 | C39 | 0.3° | 0.0° |
| C35 | C34 | C46 | C43 | 180.0° | 180.0° |
| C38 | C39 | C46 | C34 | 0.2° | 0.0° |
| C38 | C39 | C46 | C40 | 180.0° | 180.0° |
| C38 | C39 | C46 | C43 | 179.9° | 180.0° |
| C38 | C39 | C40 | C41 | 179.9° | 180.0° |
| C38 | C39 | C40 | H82 | 0.0° | 0.1° |
| F31 | C30 | C29 | C34 | 0.5° | 0.1° |
| F31 | C30 | C29 | C32 | 179.8° | 178.7° |
| F31 | C30 | C29 | C27 | 179.7° | 180.0° |
| F31 | C30 | C32 | C33 | 179.9° | 179.5° |
| F31 | C30 | C32 | H78 | 0.1° | 1.3° |
| C34 | C29 | C30 | C27 | 179.2° | 179.9° |
| C34 | C29 | C30 | C32 | 179.6° | 178.8° |
| C29 | C34 | C46 | C39 | 179.3° | 179.8° |
| C34 | C29 | C27 | F28 | 0.7° | 0.0° |
| C34 | C29 | C27 | C26 | 179.7° | 179.9° |
| C29 | C34 | C46 | C43 | 1.0° | 0.2° |
| C29 | C34 | C35 | H79 | 0.6° | 0.1° |
| C46 | C34 | C29 | C30 | 106.2° | 94.8° |
| C46 | C34 | C29 | C27 | 74.7° | 85.3° |
| C34 | C46 | C39 | C43 | 179.7° | 180.0° |
| C34 | C46 | C39 | C40 | 179.8° | 179.9° |
| C34 | C46 | C43 | C44 | 0.2° | 0.0° |
| C34 | C46 | C43 | C42 | 179.8° | 180.0° |
| C46 | C34 | C35 | H79 | 179.7° | 179.7° |
| C29 | C30 | C32 | C33 | 0.2° | 1.8° |
| C30 | C29 | C27 | F28 | 180.0° | 180.0° |
| C30 | C29 | C27 | C26 | 0.5° | 0.0° |
| C29 | C30 | C32 | H78 | 179.7° | 180.0° |
| C32 | C30 | C29 | C27 | 0.5° | 1.3° |
| C30 | C32 | C33 | H78 | 180.0° | 178.2° |
| C30 | C32 | C33 | C26 | 0.0° | 1.0° |
| C30 | C32 | C33 | C11 | 180.0° | 179.0° |
| C29 | C27 | F28 | C26 | 179.6° | 180.0° |
| C29 | C27 | C26 | C33 | 0.2° | 0.7° |
| C29 | C27 | C26 | N25 | 180.0° | 179.9° |
| C32 | C33 | C26 | C27 | 0.0° | 0.3° |
| C32 | C33 | C26 | C11 | 180.0° | 180.0° |
| C32 | C33 | C11 | N9 | 0.3° | 0.3° |
| C32 | C33 | C26 | N25 | 179.8° | 179.5° |
| C32 | C33 | C11 | N12 | 179.8° | 180.0° |
| C46 | C39 | C40 | C41 | 0.0° | 0.1° |
| C39 | C46 | C43 | C44 | 179.9° | 180.0° |
| C39 | C46 | C43 | C42 | 0.1° | 0.0° |
| C46 | C39 | C38 | H81 | 180.0° | 180.0° |
| C46 | C39 | C40 | H82 | 180.0° | 179.9° |
| C40 | C39 | C46 | C43 | 0.1° | 0.0° |
| C39 | C40 | C41 | H82 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.0° | 0.0° |
| C40 | C39 | C38 | H81 | 0.0° | 0.0° |
| C39 | C40 | C41 | H83 | 180.0° | 180.0° |
| F28 | C27 | C26 | C33 | 179.8° | 179.3° |
| F28 | C27 | C26 | N25 | 0.4° | 0.1° |
| C27 | C26 | C33 | N25 | 179.8° | 179.2° |
| C27 | C26 | C33 | C11 | 180.0° | 179.7° |
| C27 | C26 | N25 | C13 | 179.9° | 180.0° |
| C46 | C43 | C44 | C42 | 180.0° | 180.0° |
| C46 | C43 | C42 | C41 | 0.1° | 0.1° |
| C46 | C43 | C44 | C45 | 176.7° | 158.6° |
| C46 | C43 | C42 | H84 | 179.9° | 180.0° |
| C26 | C33 | C11 | N9 | 179.7° | 179.7° |
| C26 | C33 | C11 | N12 | 0.2° | 0.0° |
| C33 | C26 | N25 | C13 | 0.1° | 0.8° |
| C26 | C33 | C32 | H78 | 180.0° | 179.2° |
| C33 | C11 | N9 | C8 | 164.7° | 115.7° |
| C33 | C11 | N9 | N12 | 179.9° | 179.7° |
| C33 | C11 | N9 | C10 | 52.4° | 119.2° |
| C11 | C33 | C26 | N25 | 0.2° | 0.5° |
| C33 | C11 | N12 | C13 | 0.1° | 0.3° |
| C11 | C33 | C32 | H78 | 0.0° | 0.7° |
| C8 | N9 | C11 | C10 | 142.8° | 125.1° |
| N9 | C8 | C6 | H63 | 120.9° | 119.1° |
| N9 | C8 | C6 | H62 | 120.9° | 120.7° |
| C8 | N9 | C11 | N12 | 15.4° | 64.0° |
| C8 | N9 | C10 | C2 | 34.8° | 55.3° |
| N9 | C8 | C6 | C7 | 173.6° | 171.8° |
| N9 | C8 | C6 | N47 | 50.8° | 64.4° |
| N9 | C8 | C6 | C4 | 59.9° | 46.6° |
| N9 | C8 | H63 | H62 | 117.1° | 121.0° |
| C8 | N9 | C10 | H64 | 155.7° | 64.5° |
| C8 | N9 | C10 | H65 | 86.1° | 175.3° |
| C11 | N9 | C8 | C6 | 111.4° | 69.1° |
| C11 | N9 | C10 | C2 | 110.8° | 69.5° |
| N9 | C11 | N12 | C13 | 179.8° | 180.0° |
| C11 | N9 | C8 | H63 | 127.7° | 50.3° |
| C11 | N9 | C8 | H62 | 9.5° | 170.8° |
| C11 | N9 | C10 | H64 | 10.1° | 170.7° |
| C11 | N9 | C10 | H65 | 128.2° | 50.5° |
| C10 | N9 | C8 | C6 | 31.4° | 56.0° |
| C10 | N9 | C11 | N12 | 127.4° | 61.1° |
| N9 | C10 | C2 | H64 | 120.9° | 119.8° |
| N9 | C10 | C2 | H65 | 121.0° | 120.0° |
| N9 | C10 | C2 | N47 | 56.3° | 63.1° |
| N9 | C10 | C2 | C1 | 179.1° | 172.6° |
| N9 | C10 | C2 | C3 | 55.0° | 48.4° |
| C10 | N9 | C8 | H63 | 89.5° | 175.4° |
| C10 | N9 | C8 | H62 | 152.3° | 64.2° |
| N9 | C10 | H64 | H65 | 117.0° | 120.3° |
| C8 | C6 | C7 | N47 | 121.0° | 120.2° |
| C8 | C6 | C7 | C4 | 124.3° | 122.8° |
| C8 | C6 | N47 | C4 | 117.1° | 113.8° |
| C8 | C6 | N47 | C2 | 69.9° | 71.0° |
| C8 | C6 | C4 | C3 | 85.2° | 86.5° |
| C8 | C6 | C4 | O5 | 151.8° | 154.7° |
| C8 | C6 | C7 | H59 | 180.0° | 58.8° |
| C8 | C6 | C7 | H60 | 60.0° | 61.3° |
| C8 | C6 | C7 | H61 | 60.0° | 178.7° |
| C6 | C8 | H63 | H62 | 117.1° | 120.2° |
| C8 | C6 | C4 | H48 | 30.5° | 32.4° |
| C8 | C6 | N47 | H51 | 48.9° | 47.8° |
| C26 | N25 | C13 | N12 | 0.1° | 0.5° |
| C26 | N25 | C13 | O14 | 179.9° | 179.5° |
| C11 | N12 | C13 | N25 | 0.1° | 0.1° |
| C11 | N12 | C13 | O14 | 179.9° | 179.9° |
| C40 | C41 | C42 | C43 | 0.0° | 0.1° |
| C40 | C41 | C42 | H83 | 180.0° | 180.0° |
| C40 | C41 | C42 | H84 | 180.0° | 180.0° |
| C10 | C2 | N47 | C6 | 71.4° | 71.2° |
| C10 | C2 | N47 | C1 | 121.1° | 124.1° |
| C10 | C2 | N47 | C3 | 116.8° | 113.9° |
| C10 | C2 | C1 | C3 | 124.8° | 121.5° |
| C10 | C2 | C3 | C4 | 88.2° | 88.0° |
| C10 | C2 | C1 | H54 | 180.0° | 61.6° |
| C10 | C2 | C1 | H55 | 60.0° | 58.5° |
| C10 | C2 | C1 | H53 | 60.0° | 178.4° |
| C10 | C2 | C3 | H57 | 31.1° | 30.9° |
| C10 | C2 | C3 | H56 | 152.5° | 153.1° |
| C2 | C10 | H64 | H65 | 116.9° | 120.2° |
| C10 | C2 | N47 | H51 | 47.5° | 47.7° |
| N20 | C19 | C18 | H73 | 119.1° | 118.8° |
| N20 | C19 | C18 | H72 | 119.1° | 118.9° |
| C19 | N20 | C21 | C16 | 117.8° | 118.1° |
| N20 | C19 | C18 | C17 | 42.5° | 37.7° |
| C19 | N20 | C21 | C22 | 91.2° | 142.3° |
| C19 | N20 | C16 | C15 | 124.7° | 118.5° |
| C19 | N20 | C16 | C17 | 6.2° | 2.6° |
| C19 | N20 | C16 | C24 | 114.8° | 120.0° |
| N20 | C19 | H73 | H72 | 122.6° | 122.4° |
| C19 | N20 | C21 | H74 | 27.9° | 99.2° |
| C19 | N20 | C21 | H75 | 149.8° | 23.4° |
| N20 | C19 | C18 | H71 | 76.5° | 155.8° |
| N20 | C19 | C18 | H70 | 161.6° | 80.4° |
| C18 | C19 | N20 | C21 | 149.4° | 92.8° |
| C18 | C19 | N20 | C16 | 30.2° | 25.4° |
| C19 | C18 | C17 | H71 | 119.0° | 118.1° |
| C19 | C18 | C17 | H70 | 119.0° | 118.1° |
| C19 | C18 | C17 | C16 | 38.3° | 35.3° |
| C18 | C19 | H73 | H72 | 122.6° | 122.3° |
| C19 | C18 | C17 | H68 | 157.5° | 153.7° |
| C19 | C18 | C17 | H69 | 80.8° | 83.2° |
| C19 | C18 | H71 | H70 | 122.8° | 123.9° |
| N25 | C13 | N12 | O14 | 179.8° | 180.0° |
| N25 | C13 | O14 | C15 | 177.3° | 0.0° |
| N12 | C13 | O14 | C15 | 2.5° | 180.0° |
| N20 | C21 | C22 | H74 | 119.0° | 118.4° |
| N20 | C21 | C22 | H75 | 119.0° | 119.4° |
| C21 | N20 | C16 | C15 | 113.6° | 122.4° |
| C21 | N20 | C16 | C17 | 127.9° | 116.4° |
| C21 | N20 | C16 | C24 | 6.9° | 0.9° |
| N20 | C21 | C22 | F23 | 79.9° | 155.6° |
| N20 | C21 | C22 | C24 | 36.4° | 37.5° |
| C21 | N20 | C19 | H73 | 91.5° | 26.0° |
| C21 | N20 | C19 | H72 | 30.3° | 148.4° |
| N20 | C21 | H74 | H75 | 122.8° | 123.1° |
| N20 | C21 | C22 | H50 | 155.8° | 80.6° |
| N20 | C16 | C17 | C18 | 19.4° | 21.1° |
| C16 | N20 | C21 | C22 | 26.6° | 24.2° |
| N20 | C16 | C15 | O14 | 64.1° | 180.0° |
| N20 | C16 | C15 | C17 | 115.1° | 119.0° |
| N20 | C16 | C15 | C24 | 117.0° | 119.8° |
| N20 | C16 | C17 | C24 | 114.8° | 116.6° |
| N20 | C16 | C24 | C22 | 15.7° | 23.1° |
| N20 | C16 | C15 | H66 | 176.0° | 59.9° |
| N20 | C16 | C15 | H67 | 55.7° | 60.0° |
| C16 | N20 | C19 | H73 | 149.3° | 144.2° |
| C16 | N20 | C19 | H72 | 89.0° | 93.4° |
| C16 | N20 | C21 | H74 | 145.7° | 142.7° |
| C16 | N20 | C21 | H75 | 92.4° | 94.7° |
| N20 | C16 | C24 | H76 | 103.5° | 141.5° |
| N20 | C16 | C24 | H77 | 134.9° | 95.3° |
| N20 | C16 | C17 | H68 | 138.5° | 139.5° |
| N20 | C16 | C17 | H69 | 99.8° | 97.5° |
| C7 | C6 | N47 | C4 | 122.7° | 121.9° |
| C7 | C6 | N47 | C2 | 169.8° | 164.7° |
| C7 | C6 | C4 | C3 | 151.9° | 147.8° |
| C7 | C6 | C4 | O5 | 28.9° | 29.0° |
| C6 | C7 | H59 | H60 | 120.0° | 120.0° |
| C6 | C7 | H59 | H61 | 120.0° | 120.0° |
| C6 | C7 | H60 | H61 | 120.0° | 120.0° |
| C7 | C6 | C8 | H63 | 52.6° | 52.8° |
| C7 | C6 | C8 | H62 | 65.5° | 67.5° |
| C7 | C6 | C4 | H48 | 92.4° | 93.3° |
| C7 | C6 | N47 | H51 | 71.4° | 76.5° |
| C13 | O14 | C15 | C16 | 163.1° | 179.9° |
| C13 | O14 | C15 | H66 | 77.1° | 60.0° |
| C13 | O14 | C15 | H67 | 43.2° | 60.0° |
| C18 | C17 | C16 | C15 | 99.8° | 142.3° |
| C18 | C17 | C16 | H68 | 119.1° | 118.4° |
| C18 | C17 | C16 | H69 | 119.1° | 118.6° |
| C18 | C17 | C16 | C24 | 134.2° | 95.6° |
| C17 | C18 | C19 | H73 | 161.6° | 156.4° |
| C17 | C18 | C19 | H72 | 76.6° | 81.2° |
| C18 | C17 | H68 | H69 | 122.6° | 123.2° |
| C17 | C18 | H71 | H70 | 122.9° | 123.9° |
| C6 | N47 | C2 | H51 | 118.8° | 118.9° |
| C6 | N47 | C2 | C1 | 167.6° | 164.7° |
| C6 | N47 | C2 | C3 | 45.4° | 42.8° |
| N47 | C6 | C4 | C3 | 30.8° | 25.9° |
| N47 | C6 | C4 | O5 | 92.1° | 92.9° |
| N47 | C6 | C7 | H59 | 59.0° | 61.5° |
| N47 | C6 | C7 | H60 | 61.0° | 178.5° |
| N47 | C6 | C7 | H61 | 179.0° | 58.5° |
| N47 | C6 | C8 | H63 | 70.1° | 176.6° |
| N47 | C6 | C8 | H62 | 171.8° | 56.3° |
| N47 | C6 | C4 | H48 | 146.5° | 144.8° |
| C4 | C6 | N47 | C2 | 47.1° | 42.8° |
| C6 | C4 | C3 | C2 | 3.6° | 0.0° |
| C6 | C4 | C3 | O5 | 122.3° | 118.8° |
| C6 | C4 | C3 | H48 | 115.6° | 118.9° |
| C6 | C4 | O5 | H48 | 120.3° | 122.4° |
| C6 | C4 | C3 | H57 | 115.6° | 118.8° |
| C6 | C4 | C3 | H56 | 122.9° | 118.9° |
| C4 | C6 | C7 | H59 | 55.7° | 178.4° |
| C4 | C6 | C7 | H60 | 175.7° | 61.6° |
| C4 | C6 | C7 | H61 | 64.3° | 58.4° |
| C4 | C6 | C8 | H63 | 179.2° | 72.4° |
| C4 | C6 | C8 | H62 | 61.0° | 167.3° |
| C6 | C4 | O5 | H58 | 180.0° | 180.0° |
| C4 | C6 | N47 | H51 | 166.0° | 161.6° |
| C21 | C22 | C24 | C16 | 32.2° | 36.1° |
| C21 | C22 | F23 | C24 | 113.7° | 111.7° |
| C21 | C22 | F23 | H50 | 123.1° | 123.9° |
| C21 | C22 | C24 | H50 | 119.4° | 117.9° |
| C22 | C21 | H74 | H75 | 122.8° | 122.2° |
| C21 | C22 | C24 | H76 | 87.0° | 154.5° |
| C21 | C22 | C24 | H77 | 151.4° | 82.2° |
| N47 | C2 | C1 | C3 | 116.4° | 117.0° |
| N47 | C2 | C3 | C4 | 25.1° | 25.9° |
| N47 | C2 | C1 | H54 | 61.2° | 177.0° |
| N47 | C2 | C1 | H55 | 178.7° | 63.0° |
| N47 | C2 | C1 | H53 | 58.7° | 57.0° |
| N47 | C2 | C3 | H57 | 144.4° | 144.7° |
| N47 | C2 | C3 | H56 | 94.1° | 93.0° |
| N47 | C2 | C10 | H64 | 177.3° | 56.6° |
| N47 | C2 | C10 | H65 | 64.6° | 176.8° |
| C44 | C43 | C42 | C41 | 179.9° | 180.0° |
| C44 | C43 | C42 | H84 | 0.1° | 0.0° |
| C43 | C44 | C45 | H85 | 100.2° | 175.6° |
| C43 | C42 | C41 | H84 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 3.3° | 21.4° |
| C43 | C42 | C41 | H83 | 180.0° | 180.0° |
| C42 | C41 | C40 | H82 | 180.0° | 179.9° |
| O14 | C15 | C16 | H66 | 119.9° | 120.0° |
| O14 | C15 | C16 | H67 | 119.8° | 120.0° |
| O14 | C15 | C16 | C17 | 179.2° | 61.0° |
| O14 | C15 | C16 | C24 | 52.9° | 60.2° |
| O14 | C15 | H66 | H67 | 120.5° | 120.1° |
| C1 | C2 | C3 | C4 | 147.3° | 147.8° |
| C2 | C1 | H54 | H55 | 120.0° | 120.0° |
| C2 | C1 | H54 | H53 | 120.0° | 120.0° |
| C2 | C1 | H55 | H53 | 120.0° | 120.0° |
| C1 | C2 | C3 | H57 | 93.4° | 93.3° |
| C1 | C2 | C3 | H56 | 28.1° | 28.9° |
| C1 | C2 | C10 | H64 | 59.9° | 67.6° |
| C1 | C2 | C10 | H65 | 58.2° | 52.6° |
| C1 | C2 | N47 | H51 | 73.6° | 76.4° |
| C2 | C3 | C4 | H57 | 119.3° | 118.8° |
| C2 | C3 | C4 | H56 | 119.3° | 118.9° |
| C2 | C3 | C4 | O5 | 118.6° | 118.8° |
| C3 | C2 | C1 | H54 | 55.2° | 60.0° |
| C3 | C2 | C1 | H55 | 64.9° | 180.0° |
| C3 | C2 | C1 | H53 | 175.1° | 60.0° |
| C2 | C3 | H57 | H56 | 122.2° | 122.3° |
| C3 | C2 | C10 | H64 | 66.0° | 168.1° |
| C3 | C2 | C10 | H65 | 175.9° | 71.7° |
| C2 | C3 | C4 | H48 | 119.2° | 118.9° |
| C3 | C2 | N47 | H51 | 164.3° | 161.7° |
| C15 | C16 | C17 | C24 | 126.0° | 122.2° |
| C15 | C16 | C24 | C22 | 136.0° | 98.5° |
| C16 | C15 | H66 | H67 | 120.5° | 119.9° |
| C15 | C16 | C24 | H76 | 16.9° | 19.9° |
| C15 | C16 | C24 | H77 | 104.8° | 143.1° |
| C15 | C16 | C17 | H68 | 19.3° | 99.3° |
| C15 | C16 | C17 | H69 | 141.1° | 23.7° |
| C17 | C16 | C24 | C22 | 98.6° | 139.3° |
| C17 | C16 | C15 | H66 | 60.9° | 179.0° |
| C17 | C16 | C15 | H67 | 59.4° | 59.0° |
| C17 | C16 | C24 | H76 | 142.3° | 102.3° |
| C17 | C16 | C24 | H77 | 20.6° | 20.9° |
| C16 | C17 | H68 | H69 | 122.6° | 123.0° |
| C16 | C17 | C18 | H71 | 80.7° | 153.4° |
| C16 | C17 | C18 | H70 | 157.3° | 82.8° |
| C16 | C24 | C22 | F23 | 84.0° | 154.0° |
| C16 | C24 | C22 | H76 | 119.2° | 118.4° |
| C16 | C24 | C22 | H77 | 119.2° | 118.3° |
| C24 | C16 | C15 | H66 | 67.0° | 59.9° |
| C24 | C16 | C15 | H67 | 172.7° | 179.8° |
| C16 | C24 | C22 | H50 | 151.6° | 81.8° |
| C16 | C24 | H76 | H77 | 122.4° | 123.2° |
| C24 | C16 | C17 | H68 | 106.7° | 22.9° |
| C24 | C16 | C17 | H69 | 15.0° | 145.8° |
| C3 | C4 | O5 | H48 | 121.2° | 122.3° |
| C4 | C3 | H57 | H56 | 122.1° | 122.4° |
| C3 | C4 | O5 | H58 | 61.5° | 64.7° |
| O5 | C4 | C3 | H57 | 122.1° | 122.4° |
| O5 | C4 | C3 | H56 | 0.6° | 0.1° |
| F23 | C22 | C24 | H50 | 124.4° | 124.2° |
| F23 | C22 | C21 | H74 | 39.1° | 86.0° |
| F23 | C22 | C21 | H75 | 161.1° | 36.2° |
| F23 | C22 | C24 | H76 | 156.8° | 87.6° |
| F23 | C22 | C24 | H77 | 35.2° | 35.7° |
| C24 | C22 | C21 | H74 | 155.4° | 156.0° |
| C24 | C22 | C21 | H75 | 82.7° | 81.9° |
| C22 | C24 | H76 | H77 | 122.4° | 123.3° |
| H54 | C1 | H55 | H53 | 119.9° | 120.0° |
| H57 | C3 | C4 | H48 | 0.1° | 0.0° |
| H56 | C3 | C4 | H48 | 121.5° | 122.3° |
| H59 | C7 | H60 | H61 | 120.0° | 120.0° |
| H73 | C19 | C18 | H71 | 42.6° | 85.4° |
| H73 | C19 | C18 | H70 | 79.3° | 38.4° |
| H72 | C19 | C18 | H71 | 164.4° | 36.9° |
| H72 | C19 | C18 | H70 | 42.4° | 160.7° |
| H74 | C21 | C22 | H50 | 85.2° | 37.8° |
| H75 | C21 | C22 | H50 | 36.7° | 160.0° |
| H50 | C22 | C24 | H76 | 32.4° | 36.6° |
| H50 | C22 | C24 | H77 | 89.2° | 159.8° |
| H82 | C40 | C41 | H83 | 0.0° | 0.1° |
| H84 | C42 | C41 | H83 | 0.1° | 0.0° |
| H48 | C4 | O5 | H58 | 59.7° | 57.6° |
| H68 | C17 | C18 | H71 | 38.4° | 88.2° |
| H68 | C17 | C18 | H70 | 83.5° | 35.7° |
| H69 | C17 | C18 | H71 | 160.2° | 34.9° |
| H69 | C17 | C18 | H70 | 38.2° | 158.7° |
