7U0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C42 | sing | 1.55Å | 1.56Å | |
| C43 | C44 | sing | 1.55Å | 1.56Å | |
| C42 | C41 | sing | 1.54Å | 1.55Å | |
| C44 | N36 | sing | 1.48Å | 1.49Å | |
| C41 | N36 | sing | 1.47Å | 1.48Å | |
| N36 | C35 | sing | 1.47Å | 1.48Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O33 | sing | 1.43Å | 1.44Å | |
| O33 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.37Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.42Å | 1.46Å | Aromatic |
| N52 | C51 | sing | 1.47Å | 1.48Å | |
| C15 | C10 | sing | 1.40Å | 1.46Å | Aromatic |
| C20 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| O8 | C7 | doub | 1.22Å | 1.23Å | |
| C17 | C18 | sing | 1.42Å | 1.46Å | Aromatic |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C50 | O49 | sing | 1.43Å | 1.45Å | |
| C10 | N9 | sing | 1.39Å | 1.42Å | |
| C10 | N19 | doub | 1.32Å | 1.32Å | Aromatic |
| C7 | N9 | sing | 1.35Å | 1.38Å | |
| C7 | C2 | sing | 1.48Å | 1.57Å | |
| C18 | N19 | sing | 1.34Å | 1.37Å | Aromatic |
| C18 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| O49 | C6 | sing | 1.36Å | 1.35Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C11 | sing | 1.48Å | 1.57Å | |
| C11 | N13 | sing | 1.35Å | 1.38Å | |
| C11 | O12 | doub | 1.22Å | 1.23Å | |
| N13 | C14 | sing | 1.39Å | 1.42Å | |
| N24 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.34Å | 1.37Å | Aromatic |
| C14 | C28 | sing | 1.40Å | 1.46Å | Aromatic |
| C29 | C25 | doub | 1.40Å | 1.44Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.42Å | 1.45Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.42Å | 1.45Å | Aromatic |
| C26 | C32 | doub | 1.40Å | 1.45Å | Aromatic |
| C27 | O37 | sing | 1.36Å | 1.35Å | |
| C31 | C32 | sing | 1.36Å | 1.39Å | Aromatic |
| C48 | N40 | sing | 1.49Å | 1.49Å | |
| C48 | C47 | sing | 1.55Å | 1.55Å | |
| O37 | C38 | sing | 1.43Å | 1.43Å | |
| N40 | C39 | sing | 1.47Å | 1.48Å | |
| N40 | C45 | sing | 1.48Å | 1.48Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C47 | C46 | sing | 1.55Å | 1.54Å | |
| C45 | C46 | sing | 1.54Å | 1.54Å | |
| C5 | H54 | sing | 1.08Å | 1.08Å | |
| C47 | H87 | sing | 1.09Å | 1.10Å | |
| C47 | H88 | sing | 1.09Å | 1.10Å | |
| C46 | H85 | sing | 1.09Å | 1.10Å | |
| C46 | H86 | sing | 1.09Å | 1.10Å | |
| C45 | H84 | sing | 1.09Å | 1.10Å | |
| C45 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | H90 | sing | 1.09Å | 1.10Å | |
| C48 | H89 | sing | 1.09Å | 1.10Å | |
| C39 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H74 | sing | 1.09Å | 1.10Å | |
| C38 | H72 | sing | 1.09Å | 1.10Å | |
| C38 | H71 | sing | 1.09Å | 1.10Å | |
| C29 | H63 | sing | 1.08Å | 1.08Å | |
| C30 | H64 | sing | 1.08Å | 1.08Å | |
| C31 | H65 | sing | 1.08Å | 1.08Å | |
| C32 | H66 | sing | 1.08Å | 1.08Å | |
| C28 | H62 | sing | 1.08Å | 1.08Å | |
| N13 | H56 | sing | 0.97Å | 1.00Å | |
| C1 | H53 | sing | 1.08Å | 1.08Å | |
| C50 | H92 | sing | 1.09Å | 1.10Å | |
| C50 | H91 | sing | 1.09Å | 1.10Å | |
| C51 | H94 | sing | 1.09Å | 1.10Å | |
| C51 | H93 | sing | 1.09Å | 1.10Å | |
| N52 | H97 | sing | 1.01Å | 1.00Å | |
| N52 | H95 | sing | 1.01Å | 1.00Å | |
| N9 | H55 | sing | 0.97Å | 1.00Å | |
| C15 | H57 | sing | 1.08Å | 1.08Å | |
| C23 | H61 | sing | 1.08Å | 1.08Å | |
| C22 | H60 | sing | 1.08Å | 1.08Å | |
| C21 | H59 | sing | 1.08Å | 1.08Å | |
| C20 | H58 | sing | 1.08Å | 1.08Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| C35 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H76 | sing | 1.09Å | 1.10Å | |
| C41 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H78 | sing | 1.09Å | 1.10Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| C43 | H79 | sing | 1.09Å | 1.10Å | |
| C43 | H80 | sing | 1.09Å | 1.10Å | |
| C44 | H82 | sing | 1.09Å | 1.10Å | |
| C44 | H81 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C43 | C44 | 102.8° | 101.7° |
| C43 | C42 | C41 | 103.7° | 103.1° |
| C43 | C42 | H78 | 110.9° | 110.7° |
| C43 | C42 | H77 | 110.9° | 110.9° |
| C42 | C43 | H79 | 111.1° | 111.0° |
| C42 | C43 | H80 | 111.1° | 111.1° |
| C43 | C44 | N36 | 106.9° | 104.8° |
| C44 | C43 | H79 | 111.1° | 111.0° |
| C44 | C43 | H80 | 111.1° | 111.0° |
| C43 | C44 | H82 | 110.1° | 110.4° |
| C43 | C44 | H81 | 110.1° | 110.3° |
| C42 | C41 | N36 | 108.0° | 107.2° |
| C42 | C41 | H76 | 109.9° | 109.9° |
| C42 | C41 | H75 | 109.8° | 110.1° |
| C41 | C42 | H78 | 110.9° | 110.7° |
| C41 | C42 | H77 | 110.9° | 110.7° |
| C44 | N36 | C41 | 100.0° | 108.5° |
| C44 | N36 | C35 | 115.9° | 111.0° |
| N36 | C44 | H82 | 110.1° | 110.4° |
| N36 | C44 | H81 | 110.1° | 110.4° |
| C41 | N36 | C35 | 116.4° | 111.1° |
| N36 | C41 | H76 | 109.8° | 109.9° |
| N36 | C41 | H75 | 109.8° | 109.8° |
| N36 | C35 | C34 | 111.5° | 109.5° |
| N36 | C35 | H70 | 109.0° | 109.4° |
| N36 | C35 | H69 | 109.0° | 109.5° |
| C35 | C34 | O33 | 107.8° | 109.5° |
| C35 | C34 | H68 | 109.9° | 109.5° |
| C35 | C34 | H67 | 109.9° | 109.5° |
| C34 | C35 | H70 | 108.9° | 109.5° |
| C34 | C35 | H69 | 108.9° | 109.5° |
| C34 | O33 | C16 | 120.4° | 117.0° |
| O33 | C34 | H68 | 109.9° | 109.5° |
| O33 | C34 | H67 | 109.9° | 109.4° |
| O33 | C16 | C15 | 127.0° | 120.9° |
| O33 | C16 | C17 | 115.1° | 120.9° |
| C15 | C16 | C17 | 117.9° | 118.1° |
| C16 | C15 | C10 | 118.8° | 119.9° |
| C16 | C15 | H57 | 120.6° | 120.1° |
| C16 | C17 | C20 | 124.5° | 121.3° |
| C16 | C17 | C18 | 118.2° | 119.0° |
| N52 | C51 | C50 | 108.8° | 109.4° |
| N52 | C51 | H94 | 109.6° | 109.5° |
| N52 | C51 | H93 | 109.7° | 109.5° |
| C51 | N52 | H97 | 109.5° | 111.0° |
| C51 | N52 | H95 | 109.5° | 111.0° |
| C15 | C10 | N9 | 126.6° | 119.2° |
| C15 | C10 | N19 | 124.0° | 121.6° |
| C10 | C15 | H57 | 120.6° | 120.0° |
| C17 | C20 | C21 | 120.9° | 119.7° |
| C20 | C17 | C18 | 117.3° | 119.7° |
| C17 | C20 | H58 | 119.5° | 120.2° |
| C20 | C21 | C22 | 121.0° | 120.8° |
| C20 | C21 | H59 | 119.5° | 119.6° |
| C21 | C20 | H58 | 119.5° | 120.2° |
| O8 | C7 | N9 | 124.8° | 120.0° |
| O8 | C7 | C2 | 119.1° | 120.0° |
| C17 | C18 | N19 | 122.3° | 119.9° |
| C17 | C18 | C23 | 120.7° | 119.1° |
| C51 | C50 | O49 | 112.5° | 109.5° |
| C51 | C50 | H92 | 108.7° | 109.5° |
| C51 | C50 | H91 | 108.7° | 109.4° |
| C50 | C51 | H94 | 109.7° | 109.5° |
| C50 | C51 | H93 | 109.6° | 109.5° |
| C21 | C22 | C23 | 120.5° | 121.0° |
| C21 | C22 | H60 | 119.8° | 119.5° |
| C22 | C21 | H59 | 119.5° | 119.5° |
| C50 | O49 | C6 | 119.5° | 117.0° |
| O49 | C50 | H92 | 108.7° | 109.5° |
| O49 | C50 | H91 | 108.7° | 109.4° |
| N9 | C10 | N19 | 109.4° | 119.2° |
| C10 | N9 | C7 | 132.0° | 120.1° |
| C10 | N9 | H55 | 114.0° | 120.0° |
| C10 | N19 | C18 | 118.8° | 121.4° |
| N9 | C7 | C2 | 116.0° | 120.0° |
| C7 | N9 | H55 | 114.0° | 120.0° |
| C7 | C2 | C1 | 117.9° | 119.7° |
| C7 | C2 | N3 | 119.9° | 119.6° |
| N19 | C18 | C23 | 117.0° | 121.0° |
| C18 | C23 | C22 | 119.6° | 119.7° |
| C18 | C23 | H61 | 120.2° | 120.2° |
| C2 | C1 | C6 | 120.7° | 119.2° |
| C1 | C2 | N3 | 122.1° | 120.7° |
| C2 | C1 | H53 | 119.7° | 120.4° |
| C1 | C6 | O49 | 126.0° | 120.8° |
| C1 | C6 | C5 | 116.9° | 118.4° |
| C6 | C1 | H53 | 119.6° | 120.4° |
| C22 | C23 | H61 | 120.2° | 120.1° |
| C23 | C22 | H60 | 119.7° | 119.4° |
| C2 | N3 | C4 | 118.3° | 121.7° |
| O49 | C6 | C5 | 117.0° | 120.8° |
| C6 | C5 | C4 | 120.1° | 119.2° |
| C6 | C5 | H54 | 120.0° | 120.4° |
| N3 | C4 | C5 | 121.9° | 120.8° |
| N3 | C4 | C11 | 118.9° | 119.6° |
| C5 | C4 | C11 | 119.2° | 119.6° |
| C4 | C5 | H54 | 119.9° | 120.4° |
| C4 | C11 | N13 | 115.7° | 120.0° |
| C4 | C11 | O12 | 119.1° | 120.0° |
| N13 | C11 | O12 | 125.1° | 120.0° |
| C11 | N13 | C14 | 132.4° | 120.0° |
| C11 | N13 | H56 | 113.8° | 120.0° |
| N13 | C14 | N24 | 108.5° | 119.2° |
| N13 | C14 | C28 | 127.8° | 119.2° |
| C14 | N13 | H56 | 113.8° | 120.0° |
| C14 | N24 | C25 | 119.2° | 121.4° |
| N24 | C14 | C28 | 123.7° | 121.7° |
| N24 | C25 | C29 | 117.4° | 121.0° |
| N24 | C25 | C26 | 122.3° | 119.9° |
| C14 | C28 | C27 | 118.3° | 119.8° |
| C14 | C28 | H62 | 120.9° | 120.1° |
| C25 | C29 | C30 | 120.1° | 119.8° |
| C29 | C25 | C26 | 120.2° | 119.1° |
| C25 | C29 | H63 | 120.0° | 120.1° |
| C29 | C30 | C31 | 120.5° | 121.0° |
| C30 | C29 | H63 | 119.9° | 120.1° |
| C29 | C30 | H64 | 119.7° | 119.5° |
| C25 | C26 | C27 | 117.8° | 119.0° |
| C25 | C26 | C32 | 117.3° | 119.7° |
| C28 | C27 | C26 | 118.7° | 118.2° |
| C28 | C27 | O37 | 125.7° | 120.9° |
| C27 | C28 | H62 | 120.9° | 120.1° |
| C30 | C31 | C32 | 121.3° | 120.8° |
| C31 | C30 | H64 | 119.8° | 119.5° |
| C30 | C31 | H65 | 119.4° | 119.6° |
| C27 | C26 | C32 | 125.0° | 121.3° |
| C26 | C27 | O37 | 115.6° | 120.9° |
| C26 | C32 | C31 | 120.6° | 119.6° |
| C26 | C32 | H66 | 119.7° | 120.2° |
| C27 | O37 | C38 | 119.2° | 117.0° |
| C32 | C31 | H65 | 119.4° | 119.6° |
| C31 | C32 | H66 | 119.7° | 120.2° |
| N40 | C48 | C47 | 109.8° | 103.2° |
| C48 | N40 | C39 | 115.4° | 111.0° |
| C48 | N40 | C45 | 105.7° | 105.8° |
| N40 | C48 | H90 | 109.4° | 110.7° |
| N40 | C48 | H89 | 109.4° | 110.7° |
| C48 | C47 | C46 | 103.6° | 102.9° |
| C48 | C47 | H87 | 110.9° | 110.7° |
| C48 | C47 | H88 | 110.9° | 110.9° |
| C47 | C48 | H90 | 109.4° | 110.7° |
| C47 | C48 | H89 | 109.4° | 110.6° |
| O37 | C38 | C39 | 110.7° | 109.5° |
| O37 | C38 | H72 | 109.2° | 109.4° |
| O37 | C38 | H71 | 109.2° | 109.5° |
| C39 | N40 | C45 | 117.0° | 111.0° |
| N40 | C39 | C38 | 109.6° | 109.4° |
| N40 | C39 | H73 | 109.4° | 109.4° |
| N40 | C39 | H74 | 109.4° | 109.5° |
| N40 | C45 | C46 | 110.7° | 107.1° |
| N40 | C45 | H84 | 109.2° | 109.9° |
| N40 | C45 | H83 | 109.1° | 110.1° |
| C38 | C39 | H73 | 109.4° | 109.5° |
| C38 | C39 | H74 | 109.4° | 109.5° |
| C39 | C38 | H72 | 109.1° | 109.4° |
| C39 | C38 | H71 | 109.2° | 109.5° |
| C47 | C46 | C45 | 104.2° | 105.2° |
| C46 | C47 | H87 | 110.9° | 110.7° |
| C46 | C47 | H88 | 110.9° | 110.8° |
| C47 | C46 | H85 | 110.8° | 110.3° |
| C47 | C46 | H86 | 110.8° | 110.3° |
| C45 | C46 | H85 | 110.8° | 110.3° |
| C45 | C46 | H86 | 110.8° | 110.4° |
| C46 | C45 | H84 | 109.2° | 109.9° |
| C46 | C45 | H83 | 109.2° | 110.0° |
| H87 | C47 | H88 | 109.5° | 110.7° |
| H85 | C46 | H86 | 109.5° | 110.3° |
| H84 | C45 | H83 | 109.5° | 109.9° |
| H90 | C48 | H89 | 109.5° | 110.8° |
| H73 | C39 | H74 | 109.4° | 109.5° |
| H72 | C38 | H71 | 109.5° | 109.5° |
| H92 | C50 | H91 | 109.5° | 109.5° |
| H94 | C51 | H93 | 109.5° | 109.5° |
| H97 | N52 | H95 | 109.4° | 111.0° |
| H68 | C34 | H67 | 109.5° | 109.5° |
| H70 | C35 | H69 | 109.5° | 109.4° |
| H76 | C41 | H75 | 109.5° | 109.9° |
| H78 | C42 | H77 | 109.4° | 110.6° |
| H79 | C43 | H80 | 109.5° | 110.8° |
| H82 | C44 | H81 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C43 | C44 | H79 | 118.9° | 118.1° |
| C42 | C43 | C44 | H80 | 118.9° | 118.2° |
| C43 | C42 | C41 | H78 | 119.1° | 118.5° |
| C43 | C42 | C41 | H77 | 119.1° | 118.6° |
| C42 | C43 | C44 | N36 | 28.8° | 37.1° |
| C43 | C42 | C41 | N36 | 23.0° | 22.3° |
| C43 | C42 | C41 | H76 | 142.8° | 97.1° |
| C43 | C42 | C41 | H75 | 96.8° | 141.7° |
| C43 | C42 | H78 | H77 | 122.7° | 123.3° |
| C42 | C43 | H79 | H80 | 123.1° | 123.9° |
| C42 | C43 | C44 | H82 | 90.8° | 81.8° |
| C42 | C43 | C44 | H81 | 148.4° | 155.9° |
| C44 | C43 | C42 | C41 | 3.5° | 35.6° |
| C43 | C44 | N36 | H82 | 119.6° | 118.9° |
| C43 | C44 | N36 | H81 | 119.6° | 118.8° |
| C43 | C44 | N36 | C41 | 42.5° | 24.1° |
| C43 | C44 | N36 | C35 | 83.4° | 146.4° |
| C44 | C43 | C42 | H78 | 122.6° | 154.1° |
| C44 | C43 | C42 | H77 | 115.6° | 82.8° |
| C44 | C43 | H79 | H80 | 123.1° | 123.8° |
| C43 | C44 | H82 | H81 | 121.2° | 122.3° |
| C42 | C41 | N36 | C44 | 40.3° | 1.0° |
| C42 | C41 | N36 | H76 | 119.8° | 119.4° |
| C42 | C41 | N36 | H75 | 119.8° | 119.6° |
| C42 | C41 | N36 | C35 | 85.3° | 123.3° |
| C42 | C41 | H76 | H75 | 120.7° | 121.3° |
| C41 | C42 | H78 | H77 | 122.7° | 123.0° |
| C41 | C42 | C43 | H79 | 122.4° | 82.5° |
| C41 | C42 | C43 | H80 | 115.4° | 153.7° |
| C44 | N36 | C41 | C35 | 125.6° | 122.3° |
| C44 | N36 | C35 | C34 | 153.1° | 69.2° |
| C44 | N36 | C35 | H70 | 32.8° | 170.8° |
| C44 | N36 | C35 | H69 | 86.6° | 50.9° |
| C44 | N36 | C41 | H76 | 160.1° | 120.4° |
| C44 | N36 | C41 | H75 | 79.5° | 118.6° |
| N36 | C44 | C43 | H79 | 147.7° | 81.0° |
| N36 | C44 | C43 | H80 | 90.1° | 155.2° |
| N36 | C44 | H82 | H81 | 121.2° | 122.3° |
| C41 | N36 | C35 | C34 | 89.8° | 170.0° |
| C41 | N36 | C35 | H70 | 149.9° | 50.0° |
| C41 | N36 | C35 | H69 | 30.5° | 69.9° |
| N36 | C41 | H76 | H75 | 120.6° | 120.9° |
| N36 | C41 | C42 | H78 | 96.1° | 140.7° |
| N36 | C41 | C42 | H77 | 142.1° | 96.3° |
| C41 | N36 | C44 | H82 | 77.1° | 94.8° |
| C41 | N36 | C44 | H81 | 162.1° | 142.9° |
| N36 | C35 | C34 | H70 | 120.3° | 120.0° |
| N36 | C35 | C34 | H69 | 120.3° | 120.0° |
| N36 | C35 | C34 | O33 | 168.5° | 65.0° |
| N36 | C35 | C34 | H68 | 71.7° | 55.0° |
| N36 | C35 | C34 | H67 | 48.8° | 175.0° |
| N36 | C35 | H70 | H69 | 119.1° | 119.9° |
| C35 | N36 | C41 | H76 | 34.5° | 117.3° |
| C35 | N36 | C41 | H75 | 154.9° | 3.7° |
| C35 | N36 | C44 | H82 | 157.0° | 27.5° |
| C35 | N36 | C44 | H81 | 36.2° | 94.8° |
| C35 | C34 | O33 | H68 | 119.8° | 120.0° |
| C35 | C34 | O33 | H67 | 119.8° | 120.0° |
| C35 | C34 | O33 | C16 | 170.7° | 180.0° |
| C35 | C34 | H68 | H67 | 120.8° | 120.1° |
| C34 | C35 | H70 | H69 | 119.0° | 120.1° |
| C34 | O33 | C16 | C15 | 2.0° | 0.0° |
| C34 | O33 | C16 | C17 | 178.0° | 180.0° |
| O33 | C34 | H68 | H67 | 120.7° | 119.9° |
| O33 | C34 | C35 | H70 | 48.2° | 175.0° |
| O33 | C34 | C35 | H69 | 71.1° | 55.0° |
| O33 | C16 | C15 | C17 | 179.9° | 180.0° |
| O33 | C16 | C15 | C10 | 180.0° | 180.0° |
| O33 | C16 | C17 | C20 | 0.8° | 0.1° |
| O33 | C16 | C17 | C18 | 179.9° | 180.0° |
| O33 | C16 | C15 | H57 | 0.1° | 0.0° |
| C16 | O33 | C34 | H68 | 69.6° | 59.9° |
| C16 | O33 | C34 | H67 | 50.9° | 60.0° |
| C16 | C15 | C10 | H57 | 180.0° | 180.0° |
| C15 | C16 | C17 | C20 | 179.1° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C10 | N9 | 176.7° | 180.0° |
| C16 | C15 | C10 | N19 | 0.0° | 0.3° |
| C17 | C16 | C15 | C10 | 0.1° | 0.0° |
| C16 | C17 | C20 | C18 | 179.3° | 179.9° |
| C16 | C17 | C20 | C21 | 179.3° | 180.0° |
| C16 | C17 | C18 | N19 | 0.1° | 0.3° |
| C16 | C17 | C18 | C23 | 179.3° | 180.0° |
| C17 | C16 | C15 | H57 | 179.9° | 180.0° |
| C16 | C17 | C20 | H58 | 0.7° | 0.1° |
| N52 | C51 | C50 | H94 | 119.9° | 120.0° |
| N52 | C51 | C50 | H93 | 119.9° | 120.0° |
| N52 | C51 | C50 | O49 | 172.8° | 65.0° |
| N52 | C51 | C50 | H92 | 52.4° | 55.0° |
| N52 | C51 | C50 | H91 | 66.7° | 175.0° |
| N52 | C51 | H94 | H93 | 120.3° | 120.0° |
| C51 | N52 | H97 | H95 | 120.0° | 123.9° |
| C15 | C10 | N9 | N19 | 177.1° | 179.7° |
| C15 | C10 | N9 | C7 | 0.1° | 174.9° |
| C15 | C10 | N19 | C18 | 0.1° | 0.5° |
| C15 | C10 | N9 | H55 | 179.9° | 5.1° |
| C17 | C20 | C21 | H58 | 180.0° | 179.9° |
| C17 | C20 | C21 | C22 | 0.0° | 0.1° |
| C20 | C17 | C18 | N19 | 179.3° | 179.8° |
| C20 | C17 | C18 | C23 | 0.0° | 0.0° |
| C17 | C20 | C21 | H59 | 180.0° | 180.0° |
| C21 | C20 | C17 | C18 | 0.0° | 0.1° |
| C20 | C21 | C22 | H59 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | H60 | 179.9° | 180.0° |
| O8 | C7 | N9 | C10 | 0.1° | 5.1° |
| O8 | C7 | N9 | C2 | 179.7° | 180.0° |
| O8 | C7 | C2 | C1 | 0.0° | 0.3° |
| O8 | C7 | C2 | N3 | 177.9° | 180.0° |
| O8 | C7 | N9 | H55 | 179.9° | 174.9° |
| C17 | C18 | N19 | C10 | 0.0° | 0.5° |
| C17 | C18 | N19 | C23 | 179.2° | 179.7° |
| C17 | C18 | C23 | C22 | 0.0° | 0.0° |
| C17 | C18 | C23 | H61 | 180.0° | 180.0° |
| C18 | C17 | C20 | H58 | 180.0° | 180.0° |
| C51 | C50 | O49 | H92 | 120.5° | 120.0° |
| C51 | C50 | O49 | H91 | 120.4° | 119.9° |
| C51 | C50 | O49 | C6 | 176.1° | 180.0° |
| C51 | C50 | H92 | H91 | 118.6° | 120.0° |
| C50 | C51 | H94 | H93 | 120.3° | 120.0° |
| C50 | C51 | N52 | H97 | 180.0° | 180.0° |
| C50 | C51 | N52 | H95 | 60.0° | 56.1° |
| C21 | C22 | C23 | C18 | 0.0° | 0.0° |
| C21 | C22 | C23 | H60 | 180.0° | 180.0° |
| C21 | C22 | C23 | H61 | 179.9° | 180.0° |
| C22 | C21 | C20 | H58 | 180.0° | 180.0° |
| C50 | O49 | C6 | C1 | 0.1° | 0.1° |
| C50 | O49 | C6 | C5 | 176.8° | 180.0° |
| O49 | C50 | H92 | H91 | 118.6° | 120.0° |
| O49 | C50 | C51 | H94 | 67.3° | 175.0° |
| O49 | C50 | C51 | H93 | 52.9° | 54.9° |
| C10 | N9 | C7 | H55 | 180.0° | 180.0° |
| C10 | N9 | C7 | C2 | 179.7° | 174.9° |
| N9 | C10 | N19 | C18 | 177.1° | 179.7° |
| N9 | C10 | C15 | H57 | 3.3° | 0.0° |
| N19 | C10 | N9 | C7 | 177.0° | 5.4° |
| C10 | N19 | C18 | C23 | 179.2° | 179.7° |
| N19 | C10 | N9 | H55 | 3.0° | 174.6° |
| N19 | C10 | C15 | H57 | 180.0° | 179.8° |
| N9 | C7 | C2 | C1 | 179.7° | 179.7° |
| N9 | C7 | C2 | N3 | 1.8° | 0.1° |
| C7 | C2 | C1 | N3 | 177.8° | 179.7° |
| C7 | C2 | C1 | C6 | 177.6° | 179.7° |
| C7 | C2 | N3 | C4 | 177.7° | 179.7° |
| C7 | C2 | C1 | H53 | 2.4° | 0.2° |
| C2 | C7 | N9 | H55 | 0.3° | 5.1° |
| N19 | C18 | C23 | C22 | 179.2° | 179.7° |
| N19 | C18 | C23 | H61 | 0.8° | 0.3° |
| C18 | C23 | C22 | H61 | 180.0° | 180.0° |
| C18 | C23 | C22 | H60 | 179.9° | 180.0° |
| C2 | C1 | C6 | H53 | 180.0° | 179.9° |
| C2 | C1 | C6 | O49 | 176.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | N3 | C4 | 0.1° | 0.1° |
| C6 | C1 | C2 | N3 | 0.3° | 0.0° |
| C1 | C6 | O49 | C5 | 176.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H54 | 179.9° | 179.9° |
| C23 | C22 | C21 | H59 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | C11 | 179.6° | 180.0° |
| N3 | C2 | C1 | H53 | 179.7° | 179.9° |
| O49 | C6 | C5 | C4 | 177.1° | 179.9° |
| O49 | C6 | C5 | H54 | 2.9° | 0.0° |
| O49 | C6 | C1 | H53 | 3.3° | 0.1° |
| C6 | O49 | C50 | H92 | 63.4° | 60.0° |
| C6 | O49 | C50 | H91 | 55.7° | 60.1° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H54 | 180.0° | 179.9° |
| C6 | C5 | C4 | C11 | 179.6° | 180.0° |
| C5 | C6 | C1 | H53 | 179.7° | 180.0° |
| N3 | C4 | C5 | C11 | 179.5° | 180.0° |
| N3 | C4 | C11 | N13 | 0.4° | 0.0° |
| N3 | C4 | C11 | O12 | 179.9° | 180.0° |
| N3 | C4 | C5 | H54 | 179.9° | 180.0° |
| C5 | C4 | C11 | N13 | 180.0° | 180.0° |
| C5 | C4 | C11 | O12 | 0.4° | 0.1° |
| C4 | C11 | N13 | O12 | 179.6° | 179.9° |
| C4 | C11 | N13 | C14 | 179.9° | 174.9° |
| C11 | C4 | C5 | H54 | 0.4° | 0.1° |
| C4 | C11 | N13 | H56 | 0.1° | 5.1° |
| C11 | N13 | C14 | H56 | 180.0° | 180.0° |
| C11 | N13 | C14 | N24 | 179.9° | 5.3° |
| C11 | N13 | C14 | C28 | 0.1° | 174.9° |
| O12 | C11 | N13 | C14 | 0.5° | 5.1° |
| O12 | C11 | N13 | H56 | 179.5° | 175.0° |
| N13 | C14 | N24 | C28 | 180.0° | 179.8° |
| N13 | C14 | N24 | C25 | 179.9° | 180.0° |
| N13 | C14 | C28 | C27 | 179.9° | 179.8° |
| N13 | C14 | C28 | H62 | 0.1° | 0.2° |
| C14 | N24 | C25 | C29 | 180.0° | 180.0° |
| C14 | N24 | C25 | C26 | 0.1° | 0.0° |
| N24 | C14 | C28 | C27 | 0.0° | 0.5° |
| N24 | C14 | C28 | H62 | 180.0° | 180.0° |
| N24 | C14 | N13 | H56 | 0.1° | 174.7° |
| C25 | N24 | C14 | C28 | 0.0° | 0.2° |
| N24 | C25 | C29 | C26 | 179.9° | 180.0° |
| N24 | C25 | C29 | C30 | 180.0° | 180.0° |
| N24 | C25 | C26 | C27 | 0.1° | 0.0° |
| N24 | C25 | C26 | C32 | 179.9° | 180.0° |
| N24 | C25 | C29 | H63 | 0.0° | 0.0° |
| C14 | C28 | C27 | H62 | 180.0° | 179.5° |
| C14 | C28 | C27 | C26 | 0.1° | 0.5° |
| C14 | C28 | C27 | O37 | 179.8° | 179.8° |
| C28 | C14 | N13 | H56 | 179.9° | 5.1° |
| C25 | C29 | C30 | H63 | 180.0° | 180.0° |
| C25 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C25 | C26 | C27 | 179.9° | 180.0° |
| C29 | C25 | C26 | C32 | 0.0° | 0.0° |
| C25 | C29 | C30 | H64 | 179.9° | 180.0° |
| C30 | C29 | C25 | C26 | 0.1° | 0.0° |
| C29 | C30 | C31 | H64 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H65 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.3° |
| C25 | C26 | C27 | C32 | 179.9° | 180.0° |
| C25 | C26 | C27 | O37 | 179.7° | 180.0° |
| C25 | C26 | C32 | C31 | 0.1° | 0.1° |
| C26 | C25 | C29 | H63 | 180.0° | 180.0° |
| C25 | C26 | C32 | H66 | 179.9° | 180.0° |
| C28 | C27 | C26 | O37 | 179.8° | 179.7° |
| C28 | C27 | C26 | C32 | 179.9° | 179.7° |
| C28 | C27 | O37 | C38 | 58.3° | 0.3° |
| C30 | C31 | C32 | C26 | 0.0° | 0.1° |
| C30 | C31 | C32 | H65 | 180.0° | 179.9° |
| C31 | C30 | C29 | H63 | 179.9° | 180.0° |
| C30 | C31 | C32 | H66 | 180.0° | 180.0° |
| C27 | C26 | C32 | C31 | 179.9° | 179.9° |
| C26 | C27 | O37 | C38 | 121.5° | 180.0° |
| C27 | C26 | C32 | H66 | 0.1° | 0.0° |
| C26 | C27 | C28 | H62 | 179.9° | 180.0° |
| C32 | C26 | C27 | O37 | 0.2° | 0.0° |
| C26 | C32 | C31 | H66 | 180.0° | 180.0° |
| C26 | C32 | C31 | H65 | 180.0° | 180.0° |
| C27 | O37 | C38 | C39 | 99.8° | 180.0° |
| C27 | O37 | C38 | H72 | 20.4° | 60.0° |
| C27 | O37 | C38 | H71 | 140.0° | 60.0° |
| O37 | C27 | C28 | H62 | 0.2° | 0.2° |
| C32 | C31 | C30 | H64 | 179.9° | 179.9° |
| N40 | C48 | C47 | H90 | 120.1° | 118.5° |
| N40 | C48 | C47 | H89 | 120.1° | 118.4° |
| C48 | N40 | C39 | C45 | 125.2° | 117.4° |
| C48 | N40 | C39 | C38 | 151.3° | 72.6° |
| N40 | C48 | C47 | C46 | 21.9° | 37.4° |
| C48 | N40 | C45 | C46 | 6.1° | 25.3° |
| N40 | C48 | C47 | H87 | 97.1° | 80.9° |
| N40 | C48 | C47 | H88 | 141.0° | 155.9° |
| C48 | N40 | C45 | H84 | 126.2° | 94.1° |
| C48 | N40 | C45 | H83 | 114.2° | 144.8° |
| N40 | C48 | H90 | H89 | 119.9° | 123.1° |
| C48 | N40 | C39 | H73 | 31.3° | 47.4° |
| C48 | N40 | C39 | H74 | 88.6° | 167.4° |
| C47 | C48 | N40 | C39 | 120.7° | 159.7° |
| C47 | C48 | N40 | C45 | 10.2° | 39.2° |
| C48 | C47 | C46 | H87 | 119.0° | 118.3° |
| C48 | C47 | C46 | H88 | 119.1° | 118.6° |
| C48 | C47 | C46 | C45 | 24.1° | 21.9° |
| C48 | C47 | H87 | H88 | 122.8° | 123.3° |
| C48 | C47 | C46 | H85 | 143.3° | 97.0° |
| C48 | C47 | C46 | H86 | 95.0° | 141.0° |
| C47 | C48 | H90 | H89 | 119.8° | 123.1° |
| O37 | C38 | C39 | N40 | 155.1° | 65.0° |
| O37 | C38 | C39 | H72 | 120.2° | 120.0° |
| O37 | C38 | C39 | H71 | 120.2° | 120.0° |
| O37 | C38 | C39 | H73 | 35.1° | 55.0° |
| O37 | C38 | C39 | H74 | 84.8° | 175.0° |
| O37 | C38 | H72 | H71 | 119.5° | 120.0° |
| N40 | C39 | C38 | H73 | 120.0° | 120.0° |
| N40 | C39 | C38 | H74 | 120.0° | 120.0° |
| C39 | N40 | C45 | C46 | 136.0° | 145.8° |
| C39 | N40 | C45 | H84 | 103.8° | 26.5° |
| C39 | N40 | C45 | H83 | 15.8° | 94.7° |
| C39 | N40 | C48 | H90 | 0.7° | 81.8° |
| C39 | N40 | C48 | H89 | 119.2° | 41.3° |
| N40 | C39 | H73 | H74 | 119.9° | 120.0° |
| N40 | C39 | C38 | H72 | 35.0° | 175.0° |
| N40 | C39 | C38 | H71 | 84.6° | 55.0° |
| C45 | N40 | C39 | C38 | 83.4° | 170.0° |
| N40 | C45 | C46 | C47 | 19.6° | 1.2° |
| N40 | C45 | C46 | H84 | 120.2° | 119.3° |
| N40 | C45 | C46 | H83 | 120.2° | 119.6° |
| N40 | C45 | C46 | H85 | 138.7° | 120.1° |
| N40 | C45 | C46 | H86 | 99.6° | 117.8° |
| N40 | C45 | H84 | H83 | 119.4° | 121.3° |
| C45 | N40 | C48 | H90 | 130.2° | 157.6° |
| C45 | N40 | C48 | H89 | 109.9° | 79.2° |
| C45 | N40 | C39 | H73 | 156.5° | 70.0° |
| C45 | N40 | C39 | H74 | 36.6° | 50.0° |
| C38 | C39 | H73 | H74 | 119.9° | 120.0° |
| C39 | C38 | H72 | H71 | 119.4° | 120.0° |
| C47 | C46 | C45 | H85 | 119.1° | 118.9° |
| C47 | C46 | C45 | H86 | 119.1° | 119.0° |
| C46 | C47 | H87 | H88 | 122.7° | 123.2° |
| C47 | C46 | H85 | H86 | 122.5° | 122.1° |
| C47 | C46 | C45 | H84 | 139.8° | 118.1° |
| C47 | C46 | C45 | H83 | 100.6° | 120.8° |
| C46 | C47 | C48 | H90 | 142.0° | 155.8° |
| C46 | C47 | C48 | H89 | 98.1° | 81.0° |
| C45 | C46 | C47 | H87 | 94.9° | 96.4° |
| C45 | C46 | C47 | H88 | 143.2° | 140.5° |
| C45 | C46 | H85 | H86 | 122.5° | 122.2° |
| C46 | C45 | H84 | H83 | 119.5° | 121.2° |
| H87 | C47 | C46 | H85 | 24.2° | 144.7° |
| H87 | C47 | C46 | H86 | 146.0° | 22.7° |
| H87 | C47 | C48 | H90 | 23.0° | 37.5° |
| H87 | C47 | C48 | H89 | 142.9° | 160.7° |
| H88 | C47 | C46 | H85 | 97.7° | 21.6° |
| H88 | C47 | C46 | H86 | 24.0° | 100.5° |
| H88 | C47 | C48 | H90 | 99.0° | 85.7° |
| H88 | C47 | C48 | H89 | 20.9° | 37.5° |
| H85 | C46 | C45 | H84 | 101.1° | 0.8° |
| H85 | C46 | C45 | H83 | 18.5° | 120.3° |
| H86 | C46 | C45 | H84 | 20.6° | 122.9° |
| H86 | C46 | C45 | H83 | 140.3° | 1.8° |
| H73 | C39 | C38 | H72 | 85.1° | 65.0° |
| H73 | C39 | C38 | H71 | 155.3° | 175.0° |
| H74 | C39 | C38 | H72 | 155.0° | 55.0° |
| H74 | C39 | C38 | H71 | 35.4° | 65.0° |
| H63 | C29 | C30 | H64 | 0.1° | 0.0° |
| H64 | C30 | C31 | H65 | 0.1° | 0.0° |
| H65 | C31 | C32 | H66 | 0.0° | 0.0° |
| H92 | C50 | C51 | H94 | 172.3° | 65.0° |
| H92 | C50 | C51 | H93 | 67.5° | 175.0° |
| H91 | C50 | C51 | H94 | 53.2° | 55.0° |
| H91 | C50 | C51 | H93 | 173.4° | 65.0° |
| H94 | C51 | N52 | H97 | 60.1° | 60.0° |
| H94 | C51 | N52 | H95 | 59.9° | 176.1° |
| H93 | C51 | N52 | H97 | 60.1° | 60.0° |
| H93 | C51 | N52 | H95 | 179.9° | 63.9° |
| H61 | C23 | C22 | H60 | 0.1° | 0.0° |
| H60 | C22 | C21 | H59 | 0.0° | 0.0° |
| H59 | C21 | C20 | H58 | 0.0° | 0.0° |
| H68 | C34 | C35 | H70 | 168.0° | 65.0° |
| H68 | C34 | C35 | H69 | 48.6° | 175.0° |
| H67 | C34 | C35 | H70 | 71.5° | 55.1° |
| H67 | C34 | C35 | H69 | 169.1° | 64.9° |
| H76 | C41 | C42 | H78 | 23.7° | 21.3° |
| H76 | C41 | C42 | H77 | 98.1° | 144.3° |
| H75 | C41 | C42 | H78 | 144.2° | 99.8° |
| H75 | C41 | C42 | H77 | 22.4° | 23.1° |
| H78 | C42 | C43 | H79 | 118.5° | 36.0° |
| H78 | C42 | C43 | H80 | 3.7° | 87.8° |
| H77 | C42 | C43 | H79 | 3.3° | 159.1° |
| H77 | C42 | C43 | H80 | 125.5° | 35.3° |
| H79 | C43 | C44 | H82 | 28.1° | 160.1° |
| H79 | C43 | C44 | H81 | 92.7° | 37.8° |
| H80 | C43 | C44 | H82 | 150.3° | 36.4° |
| H80 | C43 | C44 | H81 | 29.5° | 86.0° |
