UDU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| O12 | C3 | doub | 1.21Å | 1.23Å | |
| O14 | C15 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C3 | O13 | sing | 1.34Å | 1.35Å | |
| C13 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | O13 | sing | 1.45Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C26 | N8 | sing | 1.47Å | 1.45Å | |
| C26 | C8 | sing | 1.53Å | 1.54Å | |
| C2 | N5 | sing | 1.48Å | 1.48Å | |
| C68 | C61 | sing | 1.53Å | 1.52Å | |
| C68 | N2 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C15 | N1 | sing | 1.35Å | 1.34Å | |
| C61 | C48 | sing | 1.54Å | 1.52Å | |
| N8 | C27 | sing | 1.35Å | 1.37Å | Aromatic |
| N8 | N10 | sing | 1.29Å | 1.33Å | Aromatic |
| C27 | C29 | doub | 1.35Å | 1.38Å | Aromatic |
| C14 | N6 | sing | 1.46Å | 1.47Å | |
| N10 | N9 | doub | 1.29Å | 1.38Å | Aromatic |
| C1 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| C1 | C34 | sing | 1.51Å | 1.54Å | |
| C29 | N9 | sing | 1.34Å | 1.32Å | Aromatic |
| C29 | C65 | sing | 1.51Å | 1.51Å | |
| C55 | C30 | sing | 1.53Å | 1.54Å | |
| C65 | C37 | sing | 1.53Å | 1.56Å | |
| C48 | C21 | sing | 1.53Å | 1.54Å | |
| N2 | C34 | sing | 1.35Å | 1.35Å | |
| N2 | C21 | sing | 1.47Å | 1.48Å | |
| N5 | C45 | sing | 1.37Å | 1.34Å | |
| C30 | C51 | sing | 1.53Å | 1.54Å | |
| C30 | C38 | sing | 1.53Å | 1.56Å | |
| C34 | O1 | doub | 1.21Å | 1.23Å | |
| N6 | C18 | sing | 1.35Å | 1.34Å | |
| O10 | C45 | doub | 1.21Å | 1.23Å | |
| O15 | C18 | doub | 1.22Å | 1.23Å | |
| C21 | C35 | sing | 1.51Å | 1.55Å | |
| O8 | C35 | doub | 1.21Å | 1.23Å | |
| C45 | C23 | sing | 1.51Å | 1.56Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C37 | C32 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.48Å | 1.52Å | |
| C38 | O3 | sing | 1.45Å | 1.43Å | |
| C35 | N3 | sing | 1.36Å | 1.36Å | |
| O3 | C41 | sing | 1.34Å | 1.34Å | |
| C56 | N4 | sing | 1.46Å | 1.48Å | |
| C56 | C67 | sing | 1.53Å | 1.54Å | |
| O11 | C72 | sing | 1.43Å | 1.41Å | |
| N4 | C23 | sing | 1.49Å | 1.50Å | |
| N4 | C4 | sing | 1.35Å | 1.36Å | |
| C32 | C31 | doub | 1.33Å | 1.35Å | |
| C23 | C73 | sing | 1.52Å | 1.56Å | |
| C31 | C33 | sing | 1.47Å | 1.45Å | |
| C44 | C42 | sing | 1.53Å | 1.55Å | |
| C44 | C46 | sing | 1.54Å | 1.51Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| N3 | C69 | sing | 1.48Å | 1.50Å | |
| C19 | N7 | doub | 1.33Å | 1.37Å | Aromatic |
| C19 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| O9 | C4 | doub | 1.21Å | 1.23Å | |
| C4 | C69 | sing | 1.51Å | 1.56Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | O4 | doub | 1.21Å | 1.23Å | |
| C42 | N12 | sing | 1.47Å | 1.48Å | |
| C67 | C72 | sing | 1.53Å | 1.54Å | |
| C72 | C73 | sing | 1.54Å | 1.55Å | |
| O16 | C25 | sing | 1.36Å | 1.37Å | |
| N7 | C20 | sing | 1.31Å | 1.35Å | Aromatic |
| C69 | C28 | sing | 1.53Å | 1.56Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| O5 | C50 | doub | 1.22Å | 1.23Å | |
| C33 | N13 | sing | 1.36Å | 1.34Å | |
| C33 | O2 | doub | 1.22Å | 1.23Å | |
| N12 | C50 | sing | 1.34Å | 1.37Å | |
| N12 | C47 | sing | 1.46Å | 1.47Å | |
| N13 | C53 | sing | 1.48Å | 1.46Å | |
| C50 | C60 | sing | 1.47Å | 1.45Å | |
| C20 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C40 | sing | 1.51Å | 1.52Å | |
| C53 | C54 | sing | 1.51Å | 1.52Å | |
| C40 | C52 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C60 | C63 | doub | 1.36Å | 1.39Å | Aromatic |
| C60 | N11 | sing | 1.36Å | 1.32Å | Aromatic |
| C52 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C43 | doub | 1.33Å | 1.35Å | |
| C12 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| C63 | O7 | sing | 1.35Å | 1.36Å | Aromatic |
| C64 | C70 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C66 | doub | 1.30Å | 1.31Å | Aromatic |
| C71 | C70 | sing | 1.38Å | 1.39Å | Aromatic |
| C62 | C57 | sing | 1.51Å | 1.53Å | |
| C43 | C57 | sing | 1.47Å | 1.46Å | |
| O7 | C66 | sing | 1.34Å | 1.35Å | Aromatic |
| C66 | C36 | sing | 1.51Å | 1.51Å | |
| C57 | C58 | doub | 1.32Å | 1.35Å | |
| F1 | C39 | sing | 1.40Å | 1.33Å | |
| C39 | C36 | sing | 1.53Å | 1.54Å | |
| C39 | C49 | sing | 1.53Å | 1.53Å | |
| C58 | C59 | sing | 1.51Å | 1.53Å | |
| C59 | C49 | sing | 1.53Å | 1.54Å | |
| C59 | O6 | sing | 1.43Å | 1.40Å | |
| N1 | H81 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | H84 | sing | 0.97Å | 1.00Å | |
| N6 | H82 | sing | 0.97Å | 1.00Å | |
| O6 | H87 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| O11 | H85 | sing | 0.97Å | 0.95Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| N13 | H83 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| O16 | H86 | sing | 0.97Å | 0.95Å | |
| C23 | H3 | sing | 1.10Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.07Å | 1.08Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C46 | H43 | sing | 1.09Å | 1.10Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H50 | sing | 1.09Å | 1.10Å | |
| C49 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H54 | sing | 1.09Å | 1.10Å | |
| C51 | H53 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H55 | sing | 1.08Å | 1.08Å | |
| C53 | H58 | sing | 1.09Å | 1.10Å | |
| C53 | H57 | sing | 1.09Å | 1.10Å | |
| C54 | H59 | sing | 1.08Å | 1.08Å | |
| C55 | H61 | sing | 1.09Å | 1.10Å | |
| C55 | H60 | sing | 1.09Å | 1.10Å | |
| C55 | H62 | sing | 1.09Å | 1.10Å | |
| C56 | H45 | sing | 1.09Å | 1.10Å | |
| C56 | H34 | sing | 1.09Å | 1.10Å | |
| C58 | H63 | sing | 1.08Å | 1.08Å | |
| C59 | H64 | sing | 1.09Å | 1.10Å | |
| C61 | H66 | sing | 1.09Å | 1.10Å | |
| C61 | H65 | sing | 1.09Å | 1.10Å | |
| C62 | H69 | sing | 1.09Å | 1.10Å | |
| C62 | H68 | sing | 1.09Å | 1.10Å | |
| C62 | H70 | sing | 1.09Å | 1.10Å | |
| C63 | H71 | sing | 1.08Å | 1.08Å | |
| C64 | H72 | sing | 1.08Å | 1.08Å | |
| C65 | H73 | sing | 1.09Å | 1.10Å | |
| C65 | H74 | sing | 1.09Å | 1.10Å | |
| C67 | H56 | sing | 1.09Å | 1.10Å | |
| C67 | H67 | sing | 1.09Å | 1.10Å | |
| C68 | H75 | sing | 1.09Å | 1.10Å | |
| C68 | H76 | sing | 1.09Å | 1.10Å | |
| C69 | H77 | sing | 1.09Å | 1.10Å | |
| C70 | H79 | sing | 1.08Å | 1.08Å | |
| C71 | H80 | sing | 1.08Å | 1.08Å | |
| C72 | H78 | sing | 1.09Å | 1.10Å | |
| C73 | H88 | sing | 1.09Å | 1.10Å | |
| C73 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C6 | 119.8° | 120.0° |
| C7 | C9 | C10 | 120.4° | 119.9° |
| C9 | C7 | H7 | 120.1° | 119.9° |
| C7 | C9 | H10 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.8° | 120.0° |
| C7 | C6 | H6 | 119.6° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C9 | C10 | H11 | 120.1° | 120.0° |
| C10 | C9 | H10 | 119.8° | 120.0° |
| C6 | C5 | C11 | 118.2° | 120.0° |
| C6 | C5 | C2 | 123.7° | 120.0° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| O12 | C3 | C2 | 121.6° | 119.8° |
| O12 | C3 | O13 | 123.6° | 119.8° |
| O14 | C15 | C14 | 119.1° | 119.9° |
| O14 | C15 | N1 | 122.4° | 119.9° |
| C10 | C11 | C5 | 121.1° | 120.0° |
| C11 | C10 | H11 | 120.1° | 120.0° |
| C10 | C11 | H12 | 119.5° | 120.0° |
| C11 | C5 | C2 | 118.0° | 120.0° |
| C5 | C11 | H12 | 119.5° | 120.0° |
| C5 | C2 | C3 | 115.1° | 109.6° |
| C5 | C2 | N5 | 109.7° | 109.6° |
| C5 | C2 | H5 | 105.5° | 109.6° |
| C2 | C3 | O13 | 114.7° | 120.4° |
| C3 | C2 | N5 | 114.2° | 108.7° |
| C3 | C2 | H5 | 105.4° | 109.6° |
| C3 | O13 | C13 | 120.3° | 116.9° |
| C17 | C13 | O13 | 109.1° | 109.4° |
| C17 | C13 | C14 | 113.8° | 109.3° |
| C17 | C13 | H13 | 108.0° | 109.4° |
| C13 | C17 | H20 | 109.5° | 109.4° |
| C13 | C17 | H19 | 109.4° | 109.4° |
| C13 | C17 | H18 | 109.5° | 109.4° |
| O13 | C13 | C14 | 108.5° | 110.0° |
| O13 | C13 | H13 | 109.5° | 109.3° |
| C13 | C14 | C15 | 110.9° | 109.8° |
| C13 | C14 | N6 | 112.0° | 109.5° |
| C14 | C13 | H13 | 108.0° | 109.4° |
| C13 | C14 | H14 | 106.0° | 109.4° |
| N8 | C26 | C8 | 108.8° | 109.5° |
| C26 | N8 | C27 | 127.8° | 125.9° |
| C26 | N8 | N10 | 121.1° | 125.8° |
| N8 | C26 | H26 | 109.6° | 109.5° |
| N8 | C26 | H25 | 109.6° | 109.5° |
| C26 | C8 | C1 | 114.5° | 109.5° |
| C26 | C8 | H9 | 108.2° | 109.5° |
| C26 | C8 | H8 | 108.2° | 109.5° |
| C8 | C26 | H26 | 109.6° | 109.5° |
| C8 | C26 | H25 | 109.7° | 109.5° |
| C2 | N5 | C45 | 126.9° | 116.7° |
| N5 | C2 | H5 | 106.1° | 109.7° |
| C2 | N5 | H84 | 116.5° | 121.7° |
| C61 | C68 | N2 | 104.9° | 107.7° |
| C68 | C61 | C48 | 103.0° | 105.6° |
| C68 | C61 | H66 | 111.1° | 110.2° |
| C68 | C61 | H65 | 111.1° | 110.3° |
| C61 | C68 | H75 | 110.6° | 109.8° |
| C61 | C68 | H76 | 110.6° | 109.9° |
| C68 | N2 | C34 | 126.3° | 125.3° |
| C68 | N2 | C21 | 111.3° | 109.1° |
| N2 | C68 | H75 | 110.6° | 109.8° |
| N2 | C68 | H76 | 110.6° | 109.8° |
| C14 | C15 | N1 | 118.5° | 120.1° |
| C15 | C14 | N6 | 114.5° | 109.4° |
| C15 | C14 | H14 | 106.0° | 109.4° |
| C15 | N1 | C1 | 125.6° | 120.6° |
| C15 | N1 | H81 | 117.2° | 119.7° |
| C61 | C48 | C21 | 105.0° | 106.4° |
| C61 | C48 | H49 | 110.6° | 110.1° |
| C61 | C48 | H48 | 110.6° | 110.1° |
| C48 | C61 | H66 | 111.1° | 110.2° |
| C48 | C61 | H65 | 111.1° | 110.2° |
| C27 | N8 | N10 | 110.6° | 108.3° |
| N8 | C27 | C29 | 105.2° | 106.2° |
| N8 | C27 | H27 | 127.4° | 126.9° |
| N8 | N10 | N9 | 106.2° | 110.2° |
| C27 | C29 | N9 | 109.1° | 106.5° |
| C27 | C29 | C65 | 127.5° | 126.7° |
| C29 | C27 | H27 | 127.4° | 126.9° |
| C14 | N6 | C18 | 125.4° | 120.0° |
| C14 | N6 | H82 | 117.3° | 120.0° |
| N6 | C14 | H14 | 106.8° | 109.4° |
| N10 | N9 | C29 | 108.8° | 108.9° |
| C8 | C1 | N1 | 110.7° | 109.3° |
| C8 | C1 | C34 | 108.5° | 109.4° |
| C1 | C8 | H9 | 108.2° | 109.5° |
| C1 | C8 | H8 | 108.2° | 109.5° |
| C8 | C1 | H1 | 109.9° | 109.4° |
| N1 | C1 | C34 | 106.6° | 109.9° |
| C1 | N1 | H81 | 117.2° | 119.7° |
| N1 | C1 | H1 | 111.1° | 109.4° |
| C1 | C34 | N2 | 118.7° | 119.6° |
| C1 | C34 | O1 | 117.5° | 120.2° |
| C34 | C1 | H1 | 109.9° | 109.3° |
| N9 | C29 | C65 | 123.4° | 126.8° |
| C29 | C65 | C37 | 116.9° | 109.5° |
| C29 | C65 | H73 | 107.6° | 109.5° |
| C29 | C65 | H74 | 107.6° | 109.5° |
| C55 | C30 | C51 | 109.5° | 109.5° |
| C55 | C30 | C38 | 113.3° | 109.4° |
| C55 | C30 | H30 | 107.5° | 109.5° |
| C30 | C55 | H61 | 109.5° | 109.4° |
| C30 | C55 | H60 | 109.5° | 109.5° |
| C30 | C55 | H62 | 109.4° | 109.5° |
| C65 | C37 | C38 | 110.9° | 109.8° |
| C65 | C37 | C32 | 117.0° | 109.7° |
| C65 | C37 | H36 | 105.8° | 109.8° |
| C37 | C65 | H73 | 107.6° | 109.4° |
| C37 | C65 | H74 | 107.6° | 109.5° |
| C48 | C21 | N2 | 103.7° | 108.0° |
| C48 | C21 | C35 | 111.2° | 109.7° |
| C48 | C21 | H22 | 109.3° | 109.6° |
| C21 | C48 | H49 | 110.6° | 110.1° |
| C21 | C48 | H48 | 110.6° | 110.1° |
| C34 | N2 | C21 | 122.5° | 125.6° |
| N2 | C34 | O1 | 123.8° | 120.2° |
| N2 | C21 | C35 | 113.1° | 110.3° |
| N2 | C21 | H22 | 110.1° | 109.7° |
| N5 | C45 | O10 | 121.5° | 121.1° |
| N5 | C45 | C23 | 117.0° | 117.9° |
| C45 | N5 | H84 | 116.5° | 121.7° |
| C51 | C30 | C38 | 111.5° | 109.5° |
| C51 | C30 | H30 | 107.4° | 109.5° |
| C30 | C51 | H54 | 109.5° | 109.5° |
| C30 | C51 | H53 | 109.5° | 109.5° |
| C30 | C51 | H52 | 109.5° | 109.4° |
| C30 | C38 | C37 | 116.3° | 109.3° |
| C30 | C38 | O3 | 107.8° | 109.3° |
| C38 | C30 | H30 | 107.3° | 109.5° |
| C30 | C38 | H37 | 107.6° | 109.3° |
| N6 | C18 | O15 | 120.5° | 120.0° |
| N6 | C18 | C19 | 116.4° | 120.0° |
| C18 | N6 | H82 | 117.3° | 120.0° |
| O10 | C45 | C23 | 121.5° | 121.0° |
| O15 | C18 | C19 | 123.1° | 120.0° |
| C21 | C35 | O8 | 116.5° | 120.8° |
| C21 | C35 | N3 | 121.0° | 118.5° |
| C35 | C21 | H22 | 109.2° | 109.5° |
| O8 | C35 | N3 | 122.5° | 120.8° |
| C45 | C23 | N4 | 111.8° | 109.4° |
| C45 | C23 | C73 | 113.4° | 110.8° |
| C45 | C23 | H3 | 108.0° | 108.3° |
| C38 | C37 | C32 | 110.6° | 108.2° |
| C37 | C38 | O3 | 108.2° | 110.5° |
| C38 | C37 | H36 | 105.7° | 109.7° |
| C37 | C38 | H37 | 107.5° | 109.2° |
| C37 | C32 | C31 | 128.4° | 120.5° |
| C37 | C32 | H32 | 115.8° | 119.3° |
| C32 | C37 | H36 | 106.1° | 109.6° |
| C18 | C19 | N7 | 116.6° | 119.8° |
| C18 | C19 | C25 | 122.7° | 119.8° |
| C38 | O3 | C41 | 121.8° | 115.6° |
| O3 | C38 | H37 | 109.2° | 109.3° |
| C35 | N3 | C16 | 121.7° | 121.6° |
| C35 | N3 | C69 | 119.2° | 116.8° |
| O3 | C41 | C42 | 111.4° | 120.7° |
| O3 | C41 | O4 | 125.0° | 119.6° |
| N4 | C56 | C67 | 107.1° | 110.2° |
| C56 | N4 | C23 | 115.7° | 120.5° |
| C56 | N4 | C4 | 117.7° | 120.4° |
| N4 | C56 | H45 | 110.1° | 109.4° |
| N4 | C56 | H34 | 110.1° | 109.4° |
| C56 | C67 | C72 | 112.6° | 108.8° |
| C67 | C56 | H45 | 110.0° | 109.3° |
| C67 | C56 | H34 | 110.0° | 109.4° |
| C56 | C67 | H56 | 108.7° | 109.6° |
| C56 | C67 | H67 | 108.7° | 109.6° |
| O11 | C72 | C67 | 109.1° | 109.6° |
| O11 | C72 | C73 | 110.7° | 109.3° |
| C72 | O11 | H85 | 109.5° | 114.0° |
| O11 | C72 | H78 | 110.3° | 109.5° |
| C23 | N4 | C4 | 125.2° | 119.1° |
| N4 | C23 | C73 | 106.8° | 110.1° |
| N4 | C23 | H3 | 108.8° | 108.9° |
| N4 | C4 | O9 | 122.7° | 119.7° |
| N4 | C4 | C69 | 122.0° | 120.5° |
| C32 | C31 | C33 | 122.1° | 119.5° |
| C32 | C31 | H31 | 119.0° | 120.2° |
| C31 | C32 | H32 | 115.8° | 120.1° |
| C23 | C73 | C72 | 116.5° | 110.0° |
| C73 | C23 | H3 | 108.0° | 109.3° |
| C23 | C73 | H88 | 107.7° | 109.2° |
| C23 | C73 | H4 | 107.7° | 109.2° |
| C31 | C33 | N13 | 113.8° | 120.1° |
| C31 | C33 | O2 | 123.6° | 119.9° |
| C33 | C31 | H31 | 119.0° | 120.2° |
| C42 | C44 | C46 | 106.0° | 106.4° |
| C44 | C42 | C41 | 110.5° | 109.5° |
| C44 | C42 | N12 | 103.5° | 108.0° |
| C44 | C42 | H39 | 108.3° | 110.0° |
| C42 | C44 | H41 | 110.3° | 110.1° |
| C42 | C44 | H42 | 110.3° | 110.1° |
| C44 | C46 | C47 | 102.0° | 105.4° |
| C46 | C44 | H41 | 110.3° | 110.1° |
| C46 | C44 | H42 | 110.3° | 110.1° |
| C44 | C46 | H43 | 111.3° | 110.3° |
| C44 | C46 | H44 | 111.3° | 110.3° |
| C16 | N3 | C69 | 119.1° | 121.6° |
| N3 | C16 | H17 | 109.5° | 109.5° |
| N3 | C16 | H16 | 109.5° | 109.5° |
| N3 | C16 | H15 | 109.5° | 109.5° |
| N3 | C69 | C4 | 111.5° | 108.6° |
| N3 | C69 | C28 | 113.2° | 109.6° |
| N3 | C69 | H77 | 107.8° | 109.6° |
| N7 | C19 | C25 | 120.7° | 120.4° |
| C19 | N7 | C20 | 119.4° | 121.7° |
| C19 | C25 | O16 | 124.0° | 120.5° |
| C19 | C25 | C24 | 118.7° | 118.9° |
| O9 | C4 | C69 | 115.4° | 119.8° |
| C4 | C69 | C28 | 109.8° | 109.6° |
| C4 | C69 | H77 | 107.1° | 109.6° |
| C42 | C41 | O4 | 123.5° | 119.7° |
| C41 | C42 | N12 | 116.5° | 109.4° |
| C41 | C42 | H39 | 108.6° | 109.5° |
| C42 | N12 | C50 | 122.5° | 124.7° |
| C42 | N12 | C47 | 110.1° | 109.2° |
| N12 | C42 | H39 | 109.1° | 110.5° |
| C67 | C72 | C73 | 109.8° | 109.9° |
| C72 | C67 | H56 | 108.7° | 109.6° |
| C72 | C67 | H67 | 108.7° | 109.6° |
| C67 | C72 | H78 | 108.6° | 109.6° |
| C73 | C72 | H78 | 108.5° | 109.0° |
| C72 | C73 | H88 | 107.7° | 110.0° |
| C72 | C73 | H4 | 107.7° | 109.2° |
| O16 | C25 | C24 | 117.3° | 120.5° |
| C25 | O16 | H86 | 109.5° | 114.0° |
| N7 | C20 | C22 | 122.5° | 121.1° |
| N7 | C20 | H21 | 118.7° | 119.4° |
| C69 | C28 | C40 | 116.0° | 109.5° |
| C69 | C28 | H29 | 107.8° | 109.5° |
| C69 | C28 | H28 | 107.8° | 109.5° |
| C28 | C69 | H77 | 107.1° | 109.8° |
| C46 | C47 | N12 | 105.1° | 107.8° |
| C47 | C46 | H43 | 111.3° | 110.2° |
| C47 | C46 | H44 | 111.3° | 110.3° |
| C46 | C47 | H46 | 110.5° | 109.7° |
| C46 | C47 | H47 | 110.5° | 109.8° |
| C25 | C24 | C22 | 120.1° | 118.4° |
| C25 | C24 | H24 | 119.9° | 120.8° |
| O5 | C50 | N12 | 122.2° | 117.7° |
| O5 | C50 | C60 | 119.2° | 117.6° |
| N13 | C33 | O2 | 122.6° | 120.0° |
| C33 | N13 | C53 | 125.5° | 115.3° |
| C33 | N13 | H83 | 117.2° | 122.4° |
| C50 | N12 | C47 | 127.4° | 126.1° |
| N12 | C50 | C60 | 118.6° | 124.7° |
| N12 | C47 | H46 | 110.6° | 109.8° |
| N12 | C47 | H47 | 110.5° | 109.8° |
| N13 | C53 | C54 | 112.0° | 107.0° |
| C53 | N13 | H83 | 117.3° | 122.3° |
| N13 | C53 | H58 | 108.9° | 110.0° |
| N13 | C53 | H57 | 108.8° | 109.9° |
| C50 | C60 | C63 | 126.4° | 129.1° |
| C50 | C60 | N11 | 125.3° | 124.0° |
| C20 | C22 | C24 | 118.5° | 119.5° |
| C22 | C20 | H21 | 118.7° | 119.5° |
| C20 | C22 | H23 | 120.8° | 120.3° |
| C24 | C22 | H23 | 120.7° | 120.2° |
| C22 | C24 | H24 | 119.9° | 120.8° |
| C28 | C40 | C52 | 120.5° | 120.1° |
| C28 | C40 | C12 | 120.0° | 120.0° |
| C40 | C28 | H29 | 107.8° | 109.5° |
| C40 | C28 | H28 | 107.8° | 109.4° |
| C53 | C54 | C43 | 125.3° | 121.4° |
| C54 | C53 | H58 | 108.8° | 110.0° |
| C54 | C53 | H57 | 108.8° | 109.9° |
| C53 | C54 | H59 | 117.4° | 119.3° |
| C52 | C40 | C12 | 119.2° | 120.0° |
| C40 | C52 | C64 | 119.9° | 120.1° |
| C40 | C52 | H55 | 120.1° | 120.0° |
| C40 | C12 | C71 | 119.9° | 120.0° |
| C40 | C12 | H2 | 120.1° | 120.0° |
| C63 | C60 | N11 | 107.9° | 106.9° |
| C60 | C63 | O7 | 108.3° | 107.4° |
| C60 | C63 | H71 | 125.9° | 126.3° |
| C60 | N11 | C66 | 106.4° | 108.7° |
| C52 | C64 | C70 | 120.3° | 120.0° |
| C64 | C52 | H55 | 120.0° | 119.9° |
| C52 | C64 | H72 | 119.9° | 120.0° |
| C54 | C43 | C57 | 125.3° | 118.9° |
| C54 | C43 | H40 | 117.4° | 119.0° |
| C43 | C54 | H59 | 117.3° | 119.3° |
| C12 | C71 | C70 | 120.3° | 120.0° |
| C71 | C12 | H2 | 120.1° | 120.0° |
| C12 | C71 | H80 | 119.9° | 120.0° |
| C63 | O7 | C66 | 103.1° | 107.9° |
| O7 | C63 | H71 | 125.8° | 126.3° |
| C64 | C70 | C71 | 120.4° | 120.0° |
| C70 | C64 | H72 | 119.9° | 120.0° |
| C64 | C70 | H79 | 119.8° | 120.0° |
| N11 | C66 | O7 | 113.8° | 109.2° |
| N11 | C66 | C36 | 126.3° | 124.7° |
| C71 | C70 | H79 | 119.8° | 120.0° |
| C70 | C71 | H80 | 119.8° | 120.0° |
| C62 | C57 | C43 | 120.0° | 119.0° |
| C62 | C57 | C58 | 122.0° | 119.1° |
| C57 | C62 | H69 | 109.5° | 109.5° |
| C57 | C62 | H68 | 109.5° | 109.4° |
| C57 | C62 | H70 | 109.5° | 109.5° |
| C43 | C57 | C58 | 118.0° | 121.9° |
| C57 | C43 | H40 | 117.4° | 122.0° |
| O7 | C66 | C36 | 119.9° | 126.1° |
| C66 | C36 | C39 | 111.3° | 109.8° |
| C66 | C36 | H35 | 109.0° | 109.4° |
| C66 | C36 | H33 | 109.0° | 109.4° |
| C57 | C58 | C59 | 128.3° | 120.2° |
| C57 | C58 | H63 | 115.8° | 120.0° |
| F1 | C39 | C36 | 110.4° | 109.3° |
| F1 | C39 | C49 | 110.7° | 109.4° |
| F1 | C39 | H38 | 108.6° | 109.2° |
| C36 | C39 | C49 | 114.8° | 110.3° |
| C39 | C36 | H35 | 109.0° | 109.4° |
| C39 | C36 | H33 | 109.0° | 109.4° |
| C36 | C39 | H38 | 105.9° | 109.4° |
| C39 | C49 | C59 | 111.8° | 110.0° |
| C49 | C39 | H38 | 106.1° | 109.3° |
| C39 | C49 | H50 | 108.9° | 109.4° |
| C39 | C49 | H51 | 108.9° | 109.4° |
| C58 | C59 | C49 | 113.8° | 110.1° |
| C58 | C59 | O6 | 106.8° | 109.4° |
| C59 | C58 | H63 | 115.9° | 119.8° |
| C58 | C59 | H64 | 108.9° | 109.3° |
| C49 | C59 | O6 | 107.8° | 109.4° |
| C59 | C49 | H50 | 108.9° | 109.4° |
| C59 | C49 | H51 | 108.9° | 109.3° |
| C49 | C59 | H64 | 108.8° | 109.4° |
| C59 | O6 | H87 | 109.5° | 114.0° |
| O6 | C59 | H64 | 110.6° | 109.3° |
| H9 | C8 | H8 | 109.5° | 109.4° |
| H20 | C17 | H19 | 109.4° | 109.5° |
| H20 | C17 | H18 | 109.5° | 109.5° |
| H19 | C17 | H18 | 109.5° | 109.5° |
| H26 | C26 | H25 | 109.5° | 109.4° |
| H29 | C28 | H28 | 109.5° | 109.5° |
| H17 | C16 | H16 | 109.5° | 109.5° |
| H17 | C16 | H15 | 109.5° | 109.5° |
| H16 | C16 | H15 | 109.4° | 109.5° |
| H35 | C36 | H33 | 109.5° | 109.4° |
| H41 | C44 | H42 | 109.5° | 110.0° |
| H43 | C46 | H44 | 109.5° | 110.3° |
| H46 | C47 | H47 | 109.5° | 109.8° |
| H49 | C48 | H48 | 109.5° | 110.1° |
| H50 | C49 | H51 | 109.5° | 109.4° |
| H54 | C51 | H53 | 109.5° | 109.5° |
| H54 | C51 | H52 | 109.5° | 109.5° |
| H53 | C51 | H52 | 109.5° | 109.5° |
| H58 | C53 | H57 | 109.5° | 110.0° |
| H61 | C55 | H60 | 109.5° | 109.4° |
| H61 | C55 | H62 | 109.5° | 109.5° |
| H60 | C55 | H62 | 109.5° | 109.5° |
| H45 | C56 | H34 | 109.5° | 109.2° |
| H66 | C61 | H65 | 109.4° | 110.2° |
| H69 | C62 | H68 | 109.5° | 109.5° |
| H69 | C62 | H70 | 109.5° | 109.5° |
| H68 | C62 | H70 | 109.5° | 109.5° |
| H73 | C65 | H74 | 109.5° | 109.5° |
| H56 | C67 | H67 | 109.5° | 109.6° |
| H75 | C68 | H76 | 109.5° | 109.8° |
| H88 | C73 | H4 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C7 | C6 | C5 | 0.7° | 0.1° |
| C7 | C9 | C10 | C11 | 0.3° | 0.1° |
| C9 | C7 | C6 | H6 | 179.4° | 180.0° |
| C7 | C9 | C10 | H11 | 179.7° | 180.0° |
| C6 | C7 | C9 | C10 | 0.1° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C11 | 0.7° | 0.1° |
| C7 | C6 | C5 | C2 | 176.9° | 179.7° |
| C6 | C7 | C9 | H10 | 179.9° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | C5 | 0.2° | 0.1° |
| C10 | C9 | C7 | H7 | 179.9° | 180.0° |
| C9 | C10 | C11 | H12 | 179.8° | 179.7° |
| C6 | C5 | C11 | C10 | 0.3° | 0.0° |
| C6 | C5 | C11 | C2 | 177.8° | 179.7° |
| C6 | C5 | C2 | C3 | 1.6° | 79.5° |
| C6 | C5 | C2 | N5 | 131.9° | 39.7° |
| C5 | C6 | C7 | H7 | 179.3° | 179.9° |
| C6 | C5 | C2 | H5 | 114.2° | 160.2° |
| C6 | C5 | C11 | H12 | 179.7° | 179.7° |
| O12 | C3 | C2 | C5 | 71.7° | 147.4° |
| O12 | C3 | C2 | O13 | 175.4° | 179.9° |
| O12 | C3 | O13 | C13 | 5.4° | 1.4° |
| O12 | C3 | C2 | N5 | 160.2° | 92.8° |
| O12 | C3 | C2 | H5 | 44.2° | 27.1° |
| O14 | C15 | C14 | C13 | 53.7° | 4.2° |
| O14 | C15 | C14 | N1 | 179.8° | 180.0° |
| O14 | C15 | C14 | N6 | 178.4° | 116.0° |
| O14 | C15 | N1 | C1 | 3.4° | 56.5° |
| O14 | C15 | N1 | H81 | 176.6° | 123.7° |
| O14 | C15 | C14 | H14 | 60.9° | 124.2° |
| C10 | C11 | C5 | H12 | 180.0° | 179.8° |
| C10 | C11 | C5 | C2 | 177.5° | 179.7° |
| C11 | C10 | C9 | H10 | 179.7° | 179.9° |
| C11 | C5 | C2 | C3 | 179.2° | 100.8° |
| C11 | C5 | C2 | N5 | 50.4° | 140.0° |
| C11 | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C11 | C10 | H11 | 179.8° | 180.0° |
| C11 | C5 | C2 | H5 | 63.5° | 19.5° |
| C5 | C2 | C3 | N5 | 128.2° | 119.8° |
| C5 | C2 | C3 | H5 | 115.8° | 120.4° |
| C5 | C2 | C3 | O13 | 103.7° | 32.5° |
| C5 | C2 | N5 | H5 | 113.5° | 120.4° |
| C5 | C2 | N5 | C45 | 159.3° | 53.2° |
| C2 | C5 | C6 | H6 | 3.0° | 0.2° |
| C5 | C2 | N5 | H84 | 20.6° | 126.8° |
| C2 | C5 | C11 | H12 | 2.5° | 0.0° |
| C2 | C3 | O13 | C13 | 169.8° | 178.7° |
| C3 | C2 | N5 | H5 | 115.6° | 119.8° |
| C3 | C2 | N5 | C45 | 69.8° | 173.0° |
| C3 | C2 | N5 | H84 | 110.2° | 7.0° |
| C3 | O13 | C13 | C17 | 88.8° | 68.0° |
| C3 | O13 | C13 | C14 | 146.8° | 171.9° |
| O13 | C3 | C2 | N5 | 24.5° | 87.2° |
| C3 | O13 | C13 | H13 | 29.2° | 51.7° |
| O13 | C3 | C2 | H5 | 140.5° | 152.9° |
| C17 | C13 | O13 | C14 | 124.5° | 120.1° |
| C17 | C13 | O13 | H13 | 118.0° | 119.7° |
| C17 | C13 | C14 | H13 | 119.8° | 119.7° |
| C17 | C13 | C14 | C15 | 178.2° | 89.2° |
| C17 | C13 | C14 | N6 | 52.5° | 31.0° |
| C13 | C17 | H20 | H19 | 120.0° | 120.0° |
| C13 | C17 | H20 | H18 | 120.0° | 120.0° |
| C13 | C17 | H19 | H18 | 120.0° | 120.0° |
| C17 | C13 | C14 | H14 | 63.6° | 150.8° |
| O13 | C13 | C14 | H13 | 118.5° | 120.1° |
| O13 | C13 | C14 | C15 | 60.1° | 31.0° |
| O13 | C13 | C14 | N6 | 69.1° | 151.1° |
| O13 | C13 | C17 | H20 | 180.0° | 64.6° |
| O13 | C13 | C17 | H19 | 60.0° | 175.5° |
| O13 | C13 | C17 | H18 | 60.0° | 55.4° |
| O13 | C13 | C14 | H14 | 174.7° | 89.1° |
| C13 | C14 | C15 | N6 | 127.9° | 120.2° |
| C13 | C14 | C15 | H14 | 114.6° | 120.1° |
| C13 | C14 | C15 | N1 | 126.2° | 175.9° |
| C13 | C14 | N6 | H14 | 115.7° | 119.8° |
| C13 | C14 | N6 | C18 | 143.6° | 89.2° |
| C14 | C13 | C17 | H20 | 58.7° | 174.9° |
| C14 | C13 | C17 | H19 | 61.3° | 54.9° |
| C14 | C13 | C17 | H18 | 178.7° | 65.1° |
| C13 | C14 | N6 | H82 | 36.4° | 90.8° |
| N8 | C26 | C8 | H26 | 119.9° | 120.0° |
| N8 | C26 | C8 | H25 | 119.9° | 120.0° |
| C26 | N8 | C27 | N10 | 172.4° | 179.7° |
| C26 | N8 | C27 | C29 | 170.7° | 180.0° |
| C26 | N8 | N10 | N9 | 173.5° | 180.0° |
| N8 | C26 | C8 | C1 | 177.4° | 179.8° |
| N8 | C26 | C8 | H9 | 56.7° | 60.2° |
| N8 | C26 | C8 | H8 | 61.9° | 59.7° |
| N8 | C26 | H26 | H25 | 120.3° | 120.0° |
| C26 | N8 | C27 | H27 | 9.4° | 0.0° |
| C8 | C26 | N8 | C27 | 57.7° | 123.7° |
| C8 | C26 | N8 | N10 | 114.0° | 56.0° |
| C26 | C8 | C1 | H9 | 120.7° | 120.0° |
| C26 | C8 | C1 | H8 | 120.7° | 120.0° |
| C26 | C8 | C1 | N1 | 64.6° | 176.5° |
| C26 | C8 | C1 | C34 | 178.7° | 63.1° |
| C26 | C8 | H9 | H8 | 117.7° | 120.0° |
| C8 | C26 | H26 | H25 | 120.3° | 120.0° |
| C26 | C8 | C1 | H1 | 58.5° | 56.7° |
| C2 | N5 | C45 | H84 | 180.0° | 180.0° |
| C2 | N5 | C45 | O10 | 12.9° | 5.7° |
| C2 | N5 | C45 | C23 | 164.6° | 174.3° |
| C61 | C68 | N2 | H75 | 119.3° | 119.5° |
| C61 | C68 | N2 | H76 | 119.3° | 119.6° |
| C68 | C61 | C48 | H66 | 119.0° | 119.0° |
| C68 | C61 | C48 | H65 | 119.0° | 119.1° |
| C68 | C61 | C48 | C21 | 34.7° | 6.6° |
| C61 | C68 | N2 | C34 | 162.9° | 161.3° |
| C61 | C68 | N2 | C21 | 16.9° | 18.7° |
| C68 | C61 | C48 | H49 | 154.0° | 125.8° |
| C68 | C61 | C48 | H48 | 84.6° | 112.6° |
| C68 | C61 | H66 | H65 | 123.0° | 122.0° |
| C61 | C68 | H75 | H76 | 122.1° | 120.9° |
| N2 | C68 | C61 | C48 | 31.5° | 15.4° |
| C68 | N2 | C34 | C1 | 9.3° | 2.6° |
| C68 | N2 | C21 | C48 | 4.7° | 14.4° |
| C68 | N2 | C34 | C21 | 179.8° | 179.9° |
| C68 | N2 | C34 | O1 | 171.5° | 177.5° |
| C68 | N2 | C21 | C35 | 125.3° | 134.3° |
| C68 | N2 | C21 | H22 | 112.1° | 105.0° |
| N2 | C68 | C61 | H66 | 87.4° | 103.6° |
| N2 | C68 | C61 | H65 | 150.5° | 134.5° |
| N2 | C68 | H75 | H76 | 122.2° | 120.9° |
| C15 | C14 | N6 | H14 | 117.0° | 119.8° |
| C14 | C15 | N1 | C1 | 176.4° | 123.5° |
| C15 | C14 | N6 | C18 | 89.1° | 150.5° |
| C14 | C15 | N1 | H81 | 3.6° | 56.3° |
| C15 | C14 | C13 | H13 | 58.4° | 151.1° |
| C15 | C14 | N6 | H82 | 90.9° | 29.6° |
| N1 | C15 | C14 | N6 | 1.8° | 64.0° |
| C15 | N1 | C1 | C8 | 105.2° | 78.7° |
| C15 | N1 | C1 | H81 | 180.0° | 179.8° |
| C15 | N1 | C1 | C34 | 137.0° | 41.4° |
| C15 | N1 | C1 | H1 | 17.2° | 161.5° |
| N1 | C15 | C14 | H14 | 119.3° | 55.8° |
| C61 | C48 | C21 | H49 | 119.3° | 119.2° |
| C61 | C48 | C21 | H48 | 119.3° | 119.2° |
| C61 | C48 | C21 | N2 | 24.6° | 4.4° |
| C61 | C48 | C21 | C35 | 146.5° | 124.7° |
| C61 | C48 | C21 | H22 | 92.9° | 115.1° |
| C61 | C48 | H49 | H48 | 122.1° | 121.5° |
| C48 | C61 | H66 | H65 | 123.0° | 121.8° |
| C48 | C61 | C68 | H75 | 87.7° | 104.1° |
| C48 | C61 | C68 | H76 | 150.8° | 135.0° |
| N8 | C27 | C29 | H27 | 180.0° | 180.0° |
| C27 | N8 | N10 | N9 | 0.5° | 0.2° |
| N8 | C27 | C29 | N9 | 3.4° | 0.2° |
| N8 | C27 | C29 | C65 | 175.2° | 180.0° |
| C27 | N8 | C26 | H26 | 62.2° | 3.7° |
| C27 | N8 | C26 | H25 | 177.6° | 116.2° |
| N10 | N8 | C27 | C29 | 1.7° | 0.3° |
| N8 | N10 | N9 | C29 | 2.7° | 0.1° |
| N10 | N8 | C26 | H26 | 126.1° | 176.0° |
| N10 | N8 | C26 | H25 | 5.9° | 64.1° |
| N10 | N8 | C27 | H27 | 178.3° | 179.7° |
| C27 | C29 | N9 | N10 | 3.8° | 0.0° |
| C27 | C29 | N9 | C65 | 178.6° | 179.8° |
| C27 | C29 | C65 | C37 | 148.6° | 122.8° |
| C27 | C29 | C65 | H73 | 90.4° | 117.3° |
| C27 | C29 | C65 | H74 | 27.5° | 2.7° |
| C14 | N6 | C18 | H82 | 180.0° | 179.9° |
| C14 | N6 | C18 | O15 | 1.5° | 5.0° |
| C14 | N6 | C18 | C19 | 178.2° | 175.0° |
| N6 | C14 | C13 | H13 | 172.4° | 88.8° |
| N10 | N9 | C29 | C65 | 174.8° | 179.9° |
| C8 | C1 | N1 | C34 | 117.8° | 120.1° |
| C8 | C1 | N1 | H1 | 122.4° | 119.8° |
| C8 | C1 | C34 | H1 | 120.2° | 119.8° |
| C8 | C1 | C34 | N2 | 112.0° | 81.3° |
| C8 | C1 | C34 | O1 | 68.8° | 98.7° |
| C8 | C1 | N1 | H81 | 74.9° | 101.1° |
| C1 | C8 | H9 | H8 | 117.7° | 120.0° |
| C1 | C8 | C26 | H26 | 62.7° | 60.2° |
| C1 | C8 | C26 | H25 | 57.5° | 59.7° |
| N1 | C1 | C34 | H1 | 120.5° | 120.1° |
| N1 | C1 | C34 | N2 | 128.7° | 158.7° |
| N1 | C1 | C34 | O1 | 50.4° | 21.4° |
| N1 | C1 | C8 | H9 | 56.1° | 56.5° |
| N1 | C1 | C8 | H8 | 174.7° | 63.5° |
| C1 | C34 | N2 | O1 | 179.1° | 179.9° |
| C1 | C34 | N2 | C21 | 170.8° | 177.3° |
| C34 | C1 | N1 | H81 | 43.0° | 138.8° |
| C34 | C1 | C8 | H9 | 60.6° | 176.9° |
| C34 | C1 | C8 | H8 | 58.0° | 56.9° |
| N9 | C29 | C65 | C37 | 29.8° | 57.4° |
| N9 | C29 | C27 | H27 | 176.6° | 179.8° |
| N9 | C29 | C65 | H73 | 91.3° | 62.5° |
| N9 | C29 | C65 | H74 | 150.9° | 177.5° |
| C29 | C65 | C37 | H73 | 121.1° | 119.9° |
| C29 | C65 | C37 | H74 | 121.1° | 120.1° |
| C29 | C65 | C37 | C38 | 179.2° | 175.8° |
| C29 | C65 | C37 | C32 | 51.2° | 65.5° |
| C65 | C29 | C27 | H27 | 4.8° | 0.0° |
| C29 | C65 | C37 | H36 | 66.6° | 55.1° |
| C29 | C65 | H73 | H74 | 116.6° | 120.1° |
| C55 | C30 | C51 | C38 | 126.2° | 120.0° |
| C55 | C30 | C51 | H30 | 116.5° | 120.0° |
| C55 | C30 | C38 | H30 | 118.5° | 120.0° |
| C55 | C30 | C38 | C37 | 53.0° | 147.1° |
| C55 | C30 | C38 | O3 | 174.6° | 91.9° |
| C55 | C30 | C38 | H37 | 67.7° | 27.6° |
| C55 | C30 | C51 | H54 | 180.0° | 45.3° |
| C55 | C30 | C51 | H53 | 60.0° | 74.7° |
| C55 | C30 | C51 | H52 | 60.0° | 165.3° |
| C30 | C55 | H61 | H60 | 120.0° | 120.0° |
| C30 | C55 | H61 | H62 | 120.0° | 120.0° |
| C30 | C55 | H60 | H62 | 120.0° | 120.0° |
| C65 | C37 | C38 | C30 | 62.6° | 139.3° |
| C65 | C37 | C38 | C32 | 131.4° | 119.7° |
| C65 | C37 | C38 | H36 | 114.2° | 120.8° |
| C65 | C37 | C32 | H36 | 117.7° | 120.7° |
| C65 | C37 | C38 | O3 | 58.8° | 100.4° |
| C65 | C37 | C32 | C31 | 12.1° | 105.4° |
| C65 | C37 | C32 | H32 | 167.9° | 79.4° |
| C65 | C37 | C38 | H37 | 176.7° | 19.8° |
| C37 | C65 | H73 | H74 | 116.6° | 120.0° |
| C48 | C21 | N2 | C34 | 175.4° | 165.6° |
| C48 | C21 | N2 | C35 | 120.6° | 119.9° |
| C48 | C21 | N2 | H22 | 116.9° | 119.5° |
| C48 | C21 | C35 | H22 | 120.7° | 120.3° |
| C48 | C21 | C35 | O8 | 85.1° | 89.4° |
| C48 | C21 | C35 | N3 | 96.2° | 90.7° |
| C21 | C48 | H49 | H48 | 122.0° | 121.5° |
| C21 | C48 | C61 | H66 | 84.3° | 112.5° |
| C21 | C48 | C61 | H65 | 153.6° | 125.7° |
| C34 | N2 | C21 | C35 | 54.8° | 45.7° |
| C34 | N2 | C21 | H22 | 67.7° | 74.9° |
| N2 | C34 | C1 | H1 | 8.3° | 38.5° |
| C34 | N2 | C68 | H75 | 77.8° | 79.1° |
| C34 | N2 | C68 | H76 | 43.7° | 41.7° |
| C21 | N2 | C34 | O1 | 8.3° | 2.6° |
| N2 | C21 | C35 | H22 | 123.0° | 120.8° |
| N2 | C21 | C35 | O8 | 31.1° | 29.5° |
| N2 | C21 | C35 | N3 | 147.6° | 150.5° |
| N2 | C21 | C48 | H49 | 143.9° | 114.8° |
| N2 | C21 | C48 | H48 | 94.7° | 123.6° |
| C21 | N2 | C68 | H75 | 102.4° | 100.8° |
| C21 | N2 | C68 | H76 | 136.2° | 138.3° |
| N5 | C45 | O10 | C23 | 177.4° | 180.0° |
| N5 | C45 | C23 | N4 | 52.3° | 101.8° |
| N5 | C45 | C23 | C73 | 173.0° | 136.7° |
| C45 | N5 | C2 | H5 | 45.8° | 67.2° |
| N5 | C45 | C23 | H3 | 67.4° | 16.8° |
| C51 | C30 | C38 | H30 | 117.4° | 120.1° |
| C51 | C30 | C38 | C37 | 177.1° | 93.0° |
| C51 | C30 | C38 | O3 | 61.3° | 28.1° |
| C51 | C30 | C38 | H37 | 56.5° | 147.6° |
| C30 | C51 | H54 | H53 | 120.0° | 120.1° |
| C30 | C51 | H54 | H52 | 120.0° | 120.0° |
| C30 | C51 | H53 | H52 | 120.0° | 120.0° |
| C51 | C30 | C55 | H61 | 180.0° | 15.9° |
| C51 | C30 | C55 | H60 | 60.0° | 135.8° |
| C51 | C30 | C55 | H62 | 60.0° | 104.2° |
| C30 | C38 | C37 | O3 | 121.4° | 120.3° |
| C30 | C38 | C37 | H37 | 120.7° | 119.5° |
| C30 | C38 | C37 | C32 | 166.0° | 19.6° |
| C30 | C38 | O3 | H37 | 116.7° | 119.5° |
| C30 | C38 | O3 | C41 | 139.9° | 54.8° |
| C30 | C38 | C37 | H36 | 51.6° | 100.0° |
| C38 | C30 | C51 | H54 | 53.8° | 74.6° |
| C38 | C30 | C51 | H53 | 66.2° | 165.3° |
| C38 | C30 | C51 | H52 | 173.8° | 45.3° |
| C38 | C30 | C55 | H61 | 54.9° | 104.1° |
| C38 | C30 | C55 | H60 | 174.8° | 15.8° |
| C38 | C30 | C55 | H62 | 65.2° | 135.8° |
| O1 | C34 | C1 | H1 | 170.9° | 141.5° |
| N6 | C18 | O15 | C19 | 179.6° | 180.0° |
| N6 | C18 | C19 | N7 | 10.4° | 4.7° |
| N6 | C18 | C19 | C25 | 169.7° | 174.7° |
| C18 | N6 | C14 | H14 | 27.9° | 30.7° |
| O10 | C45 | C23 | N4 | 125.2° | 78.2° |
| O10 | C45 | C23 | C73 | 4.5° | 43.4° |
| O10 | C45 | N5 | H84 | 167.1° | 174.4° |
| O10 | C45 | C23 | H3 | 115.1° | 163.2° |
| O15 | C18 | C19 | N7 | 170.0° | 175.3° |
| O15 | C18 | C19 | C25 | 9.9° | 5.2° |
| O15 | C18 | N6 | H82 | 178.5° | 175.0° |
| C21 | C35 | O8 | N3 | 178.7° | 179.9° |
| C21 | C35 | N3 | C16 | 6.0° | 1.5° |
| C21 | C35 | N3 | C69 | 173.8° | 178.5° |
| C35 | C21 | C48 | H49 | 94.2° | 5.4° |
| C35 | C21 | C48 | H48 | 27.2° | 116.1° |
| O8 | C35 | N3 | C16 | 175.3° | 178.4° |
| O8 | C35 | N3 | C69 | 4.8° | 1.6° |
| O8 | C35 | C21 | H22 | 154.2° | 150.3° |
| C45 | C23 | N4 | C56 | 66.7° | 75.1° |
| C45 | C23 | N4 | C73 | 124.5° | 121.9° |
| C45 | C23 | N4 | H3 | 119.2° | 118.3° |
| C45 | C23 | N4 | C4 | 126.6° | 104.0° |
| C45 | C23 | C73 | H3 | 119.6° | 119.3° |
| C45 | C23 | C73 | C72 | 75.3° | 71.1° |
| C23 | C45 | N5 | H84 | 15.4° | 5.7° |
| C45 | C23 | C73 | H88 | 45.7° | 49.7° |
| C45 | C23 | C73 | H4 | 163.7° | 169.1° |
| C38 | C37 | C32 | H36 | 114.2° | 119.6° |
| C37 | C38 | O3 | H37 | 116.8° | 120.2° |
| C37 | C38 | O3 | C41 | 93.6° | 175.1° |
| C38 | C37 | C32 | C31 | 116.1° | 134.9° |
| C37 | C38 | C30 | H30 | 65.5° | 27.1° |
| C38 | C37 | C32 | H32 | 63.9° | 40.3° |
| C38 | C37 | C65 | H73 | 59.7° | 55.8° |
| C38 | C37 | C65 | H74 | 58.2° | 64.1° |
| C32 | C37 | C38 | O3 | 72.5° | 139.9° |
| C37 | C32 | C31 | H32 | 180.0° | 175.2° |
| C37 | C32 | C31 | C33 | 174.1° | 169.6° |
| C37 | C32 | C31 | H31 | 5.9° | 9.5° |
| C32 | C37 | C38 | H37 | 45.3° | 99.9° |
| C32 | C37 | C65 | H73 | 172.3° | 174.6° |
| C32 | C37 | C65 | H74 | 69.8° | 54.6° |
| C18 | C19 | N7 | C25 | 179.9° | 179.4° |
| C18 | C19 | C25 | O16 | 1.9° | 0.0° |
| C18 | C19 | N7 | C20 | 178.9° | 180.0° |
| C18 | C19 | C25 | C24 | 179.0° | 179.8° |
| C19 | C18 | N6 | H82 | 1.8° | 4.9° |
| C38 | O3 | C41 | C42 | 166.2° | 179.0° |
| C38 | O3 | C41 | O4 | 10.6° | 1.0° |
| O3 | C38 | C30 | H30 | 56.1° | 148.1° |
| O3 | C38 | C37 | H36 | 173.1° | 20.3° |
| C35 | N3 | C16 | C69 | 179.9° | 180.0° |
| C35 | N3 | C69 | C4 | 69.0° | 111.8° |
| C35 | N3 | C69 | C28 | 166.6° | 8.0° |
| N3 | C35 | C21 | H22 | 24.5° | 29.7° |
| C35 | N3 | C16 | H17 | 180.0° | 90.0° |
| C35 | N3 | C16 | H16 | 60.0° | 30.0° |
| C35 | N3 | C16 | H15 | 60.0° | 150.0° |
| C35 | N3 | C69 | H77 | 48.3° | 128.5° |
| O3 | C41 | C42 | C44 | 83.3° | 127.8° |
| O3 | C41 | C42 | O4 | 176.9° | 180.0° |
| O3 | C41 | C42 | N12 | 159.0° | 114.0° |
| C41 | O3 | C38 | H37 | 23.2° | 64.8° |
| O3 | C41 | C42 | H39 | 35.3° | 7.2° |
| N4 | C56 | C67 | H45 | 119.6° | 120.2° |
| N4 | C56 | C67 | H34 | 119.6° | 120.3° |
| C56 | N4 | C23 | C4 | 166.7° | 179.2° |
| C56 | N4 | C23 | C73 | 57.8° | 46.8° |
| C56 | N4 | C4 | O9 | 10.7° | 174.1° |
| C56 | N4 | C4 | C69 | 170.0° | 5.9° |
| N4 | C56 | C67 | C72 | 58.7° | 53.7° |
| C56 | N4 | C23 | H3 | 174.1° | 166.6° |
| N4 | C56 | H45 | H34 | 121.1° | 119.7° |
| N4 | C56 | C67 | H56 | 61.8° | 66.2° |
| N4 | C56 | C67 | H67 | 179.2° | 173.5° |
| C56 | C67 | C72 | O11 | 70.1° | 57.9° |
| C67 | C56 | N4 | C23 | 64.1° | 48.6° |
| C67 | C56 | N4 | C4 | 103.6° | 132.2° |
| C56 | C67 | C72 | H56 | 120.5° | 119.8° |
| C56 | C67 | C72 | H67 | 120.5° | 119.8° |
| C56 | C67 | C72 | C73 | 51.3° | 62.2° |
| C67 | C56 | H45 | H34 | 121.1° | 119.6° |
| C56 | C67 | H56 | H67 | 118.5° | 120.3° |
| C56 | C67 | C72 | H78 | 169.7° | 178.1° |
| O11 | C72 | C73 | C23 | 73.5° | 59.3° |
| O11 | C72 | C67 | C73 | 121.4° | 120.2° |
| O11 | C72 | C67 | H78 | 120.2° | 120.1° |
| O11 | C72 | C73 | H78 | 121.1° | 119.6° |
| O11 | C72 | C67 | H56 | 169.4° | 177.8° |
| O11 | C72 | C67 | H67 | 50.4° | 61.9° |
| O11 | C72 | C73 | H88 | 47.5° | 61.0° |
| O11 | C72 | C73 | H4 | 165.5° | 179.1° |
| N4 | C23 | C73 | H3 | 116.9° | 119.5° |
| C23 | N4 | C4 | O9 | 177.2° | 6.8° |
| C23 | N4 | C4 | C69 | 3.6° | 173.2° |
| N4 | C23 | C73 | C72 | 48.2° | 50.1° |
| C23 | N4 | C56 | H45 | 176.3° | 168.8° |
| C23 | N4 | C56 | H34 | 55.5° | 71.6° |
| N4 | C23 | C73 | H88 | 169.2° | 170.9° |
| N4 | C23 | C73 | H4 | 72.8° | 69.8° |
| C4 | N4 | C23 | C73 | 108.9° | 134.0° |
| N4 | C4 | C69 | N3 | 119.2° | 167.7° |
| N4 | C4 | O9 | C69 | 179.3° | 180.0° |
| N4 | C4 | C69 | C28 | 114.5° | 48.0° |
| C4 | N4 | C23 | H3 | 7.4° | 14.2° |
| C4 | N4 | C56 | H45 | 16.0° | 12.1° |
| C4 | N4 | C56 | H34 | 136.8° | 107.5° |
| N4 | C4 | C69 | H77 | 1.5° | 72.6° |
| C32 | C31 | C33 | H31 | 180.0° | 179.2° |
| C32 | C31 | C33 | N13 | 161.9° | 177.7° |
| C32 | C31 | C33 | O2 | 16.0° | 2.4° |
| C31 | C32 | C37 | H36 | 129.7° | 15.3° |
| C23 | C73 | C72 | C67 | 46.9° | 61.0° |
| C23 | C73 | C72 | H88 | 121.0° | 120.3° |
| C23 | C73 | C72 | H4 | 121.0° | 119.9° |
| C23 | C73 | C72 | H78 | 165.4° | 178.9° |
| C23 | C73 | H88 | H4 | 116.8° | 119.4° |
| C31 | C33 | N13 | O2 | 178.0° | 179.9° |
| C31 | C33 | N13 | C53 | 177.7° | 156.4° |
| C31 | C33 | N13 | H83 | 2.3° | 23.6° |
| C33 | C31 | C32 | H32 | 5.9° | 5.5° |
| C42 | C44 | C46 | H41 | 119.5° | 119.3° |
| C42 | C44 | C46 | H42 | 119.5° | 119.3° |
| C44 | C42 | C41 | N12 | 117.7° | 118.2° |
| C44 | C42 | C41 | H39 | 118.7° | 120.6° |
| C44 | C42 | C41 | O4 | 93.5° | 52.1° |
| C44 | C42 | N12 | H39 | 115.2° | 120.3° |
| C42 | C44 | C46 | C47 | 34.5° | 7.9° |
| C44 | C42 | N12 | C50 | 176.9° | 165.6° |
| C44 | C42 | N12 | C47 | 1.5° | 13.5° |
| C42 | C44 | H41 | H42 | 121.6° | 121.5° |
| C42 | C44 | C46 | H43 | 84.3° | 126.8° |
| C42 | C44 | C46 | H44 | 153.3° | 111.1° |
| C46 | C44 | C42 | C41 | 146.4° | 122.1° |
| C46 | C44 | C42 | N12 | 21.0° | 3.0° |
| C44 | C46 | C47 | H43 | 118.8° | 119.0° |
| C44 | C46 | C47 | H44 | 118.8° | 119.0° |
| C44 | C46 | C47 | N12 | 35.1° | 16.2° |
| C46 | C44 | C42 | H39 | 94.8° | 117.6° |
| C46 | C44 | H41 | H42 | 121.6° | 121.5° |
| C44 | C46 | H43 | H44 | 123.5° | 122.1° |
| C44 | C46 | C47 | H46 | 154.5° | 135.7° |
| C44 | C46 | C47 | H47 | 84.2° | 103.5° |
| C16 | N3 | C69 | C4 | 111.1° | 68.3° |
| C16 | N3 | C69 | C28 | 13.3° | 172.0° |
| N3 | C16 | H17 | H16 | 120.0° | 120.0° |
| N3 | C16 | H17 | H15 | 120.0° | 120.0° |
| N3 | C16 | H16 | H15 | 120.0° | 120.0° |
| C16 | N3 | C69 | H77 | 131.5° | 51.5° |
| N3 | C69 | C4 | O9 | 60.0° | 12.3° |
| N3 | C69 | C4 | C28 | 126.2° | 119.7° |
| N3 | C69 | C4 | H77 | 117.7° | 119.7° |
| N3 | C69 | C28 | H77 | 118.7° | 120.4° |
| N3 | C69 | C28 | C40 | 172.6° | 61.9° |
| N3 | C69 | C28 | H29 | 51.7° | 178.0° |
| N3 | C69 | C28 | H28 | 66.4° | 58.0° |
| C69 | N3 | C16 | H17 | 0.1° | 90.0° |
| C69 | N3 | C16 | H16 | 119.9° | 150.0° |
| C69 | N3 | C16 | H15 | 120.1° | 30.0° |
| N7 | C19 | C25 | O16 | 178.2° | 179.4° |
| N7 | C19 | C25 | C24 | 0.9° | 0.8° |
| C19 | N7 | C20 | C22 | 0.4° | 0.0° |
| C19 | N7 | C20 | H21 | 179.6° | 179.7° |
| C19 | C25 | O16 | C24 | 179.2° | 179.8° |
| C25 | C19 | N7 | C20 | 1.0° | 0.6° |
| C19 | C25 | C24 | C22 | 0.3° | 0.5° |
| C19 | C25 | C24 | H24 | 179.7° | 179.5° |
| C19 | C25 | O16 | H86 | 5.2° | 90.0° |
| O9 | C4 | C69 | C28 | 66.2° | 132.0° |
| O9 | C4 | C69 | H77 | 177.8° | 107.4° |
| C4 | C69 | C28 | H77 | 116.0° | 120.5° |
| C4 | C69 | C28 | C40 | 62.1° | 179.0° |
| C4 | C69 | C28 | H29 | 177.0° | 59.0° |
| C4 | C69 | C28 | H28 | 58.9° | 61.1° |
| C41 | C42 | N12 | H39 | 123.4° | 120.6° |
| C41 | C42 | N12 | C50 | 61.7° | 46.5° |
| C41 | C42 | N12 | C47 | 120.0° | 132.6° |
| C41 | C42 | C44 | H41 | 94.1° | 118.6° |
| C41 | C42 | C44 | H42 | 26.9° | 2.8° |
| O4 | C41 | C42 | N12 | 24.1° | 66.0° |
| O4 | C41 | C42 | H39 | 147.8° | 172.8° |
| C42 | N12 | C47 | C46 | 23.2° | 18.7° |
| C42 | N12 | C50 | O5 | 9.6° | 9.6° |
| C42 | N12 | C50 | C47 | 178.0° | 179.0° |
| C42 | N12 | C50 | C60 | 169.3° | 170.4° |
| N12 | C42 | C44 | H41 | 140.5° | 122.3° |
| N12 | C42 | C44 | H42 | 98.5° | 116.2° |
| C42 | N12 | C47 | H46 | 142.5° | 138.2° |
| C42 | N12 | C47 | H47 | 96.1° | 101.0° |
| C67 | C72 | C73 | H78 | 118.5° | 120.1° |
| C67 | C72 | O11 | H85 | 103.2° | 60.0° |
| C72 | C67 | C56 | H45 | 178.4° | 173.9° |
| C72 | C67 | C56 | H34 | 60.9° | 66.6° |
| C72 | C67 | H56 | H67 | 118.5° | 120.3° |
| C67 | C72 | C73 | H88 | 167.9° | 178.7° |
| C67 | C72 | C73 | H4 | 74.1° | 58.8° |
| C73 | C72 | O11 | H85 | 17.7° | 179.5° |
| C72 | C73 | C23 | H3 | 165.1° | 169.6° |
| C73 | C72 | C67 | H56 | 69.2° | 57.6° |
| C73 | C72 | C67 | H67 | 171.7° | 178.0° |
| C72 | C73 | H88 | H4 | 116.9° | 119.9° |
| O16 | C25 | C24 | C22 | 178.9° | 179.8° |
| O16 | C25 | C24 | H24 | 1.1° | 0.3° |
| N7 | C20 | C22 | H21 | 180.0° | 179.7° |
| N7 | C20 | C22 | C24 | 0.3° | 0.3° |
| N7 | C20 | C22 | H23 | 179.8° | 179.7° |
| C69 | C28 | C40 | H29 | 121.0° | 120.0° |
| C69 | C28 | C40 | H28 | 121.0° | 120.0° |
| C69 | C28 | C40 | C52 | 91.2° | 142.9° |
| C69 | C28 | C40 | C12 | 82.0° | 37.0° |
| C69 | C28 | H29 | H28 | 117.0° | 120.0° |
| C46 | C47 | N12 | C50 | 155.0° | 160.5° |
| C46 | C47 | N12 | H46 | 119.3° | 119.5° |
| C46 | C47 | N12 | H47 | 119.3° | 119.7° |
| C47 | C46 | C44 | H41 | 154.0° | 111.4° |
| C47 | C46 | C44 | H42 | 84.9° | 127.2° |
| C47 | C46 | H43 | H44 | 123.5° | 122.0° |
| C46 | C47 | H46 | H47 | 122.0° | 120.8° |
| C25 | C24 | C22 | C20 | 0.3° | 0.0° |
| C25 | C24 | C22 | H24 | 180.0° | 180.0° |
| C25 | C24 | C22 | H23 | 179.7° | 180.0° |
| C24 | C25 | O16 | H86 | 175.6° | 90.2° |
| O5 | C50 | N12 | C60 | 178.9° | 179.9° |
| O5 | C50 | N12 | C47 | 168.4° | 171.4° |
| O5 | C50 | C60 | C63 | 20.3° | 165.2° |
| O5 | C50 | C60 | N11 | 151.6° | 16.6° |
| C33 | N13 | C53 | H83 | 180.0° | 180.0° |
| C33 | N13 | C53 | C54 | 121.4° | 86.5° |
| N13 | C33 | C31 | H31 | 18.1° | 1.5° |
| C33 | N13 | C53 | H58 | 118.2° | 32.9° |
| C33 | N13 | C53 | H57 | 1.1° | 154.2° |
| O2 | C33 | N13 | C53 | 0.2° | 23.7° |
| O2 | C33 | N13 | H83 | 179.8° | 156.3° |
| O2 | C33 | C31 | H31 | 164.0° | 178.5° |
| N12 | C50 | C60 | C63 | 160.8° | 14.8° |
| N12 | C50 | C60 | N11 | 27.3° | 163.4° |
| C50 | N12 | C42 | H39 | 61.7° | 74.1° |
| C50 | N12 | C47 | H46 | 35.7° | 40.9° |
| C50 | N12 | C47 | H47 | 85.7° | 79.9° |
| C47 | N12 | C50 | C60 | 12.7° | 8.6° |
| C47 | N12 | C42 | H39 | 116.6° | 106.8° |
| N12 | C47 | C46 | H43 | 83.7° | 135.1° |
| N12 | C47 | C46 | H44 | 153.9° | 102.9° |
| N12 | C47 | H46 | H47 | 122.0° | 120.8° |
| N13 | C53 | C54 | H58 | 120.4° | 119.4° |
| N13 | C53 | C54 | H57 | 120.4° | 119.3° |
| N13 | C53 | C54 | C43 | 125.6° | 167.3° |
| N13 | C53 | H58 | H57 | 118.9° | 121.2° |
| N13 | C53 | C54 | H59 | 54.5° | 13.0° |
| C50 | C60 | C63 | N11 | 173.1° | 178.4° |
| C50 | C60 | C63 | O7 | 178.2° | 180.0° |
| C50 | C60 | N11 | C66 | 179.8° | 179.3° |
| C50 | C60 | C63 | H71 | 1.8° | 0.0° |
| C20 | C22 | C24 | H23 | 180.0° | 180.0° |
| C20 | C22 | C24 | H24 | 179.7° | 180.0° |
| C24 | C22 | C20 | H21 | 179.8° | 180.0° |
| C28 | C40 | C52 | C12 | 173.2° | 180.0° |
| C28 | C40 | C52 | C64 | 176.0° | 180.0° |
| C28 | C40 | C12 | C71 | 176.3° | 179.9° |
| C40 | C28 | H29 | H28 | 117.0° | 120.0° |
| C28 | C40 | C12 | H2 | 3.7° | 0.3° |
| C28 | C40 | C52 | H55 | 4.0° | 0.0° |
| C40 | C28 | C69 | H77 | 53.9° | 58.5° |
| C53 | C54 | C43 | H59 | 180.0° | 179.7° |
| C53 | C54 | C43 | C57 | 178.3° | 179.9° |
| C54 | C53 | N13 | H83 | 58.6° | 93.5° |
| C53 | C54 | C43 | H40 | 1.7° | 2.7° |
| C54 | C53 | H58 | H57 | 118.9° | 121.2° |
| C40 | C52 | C64 | H55 | 180.0° | 180.0° |
| C52 | C40 | C12 | C71 | 3.0° | 0.1° |
| C40 | C52 | C64 | C70 | 1.0° | 0.0° |
| C52 | C40 | C28 | H29 | 147.9° | 97.0° |
| C52 | C40 | C28 | H28 | 29.8° | 23.0° |
| C52 | C40 | C12 | H2 | 177.0° | 179.7° |
| C40 | C52 | C64 | H72 | 179.0° | 180.0° |
| C12 | C40 | C52 | C64 | 2.8° | 0.0° |
| C40 | C12 | C71 | H2 | 180.0° | 179.6° |
| C40 | C12 | C71 | C70 | 1.5° | 0.1° |
| C12 | C40 | C28 | H29 | 39.0° | 83.0° |
| C12 | C40 | C28 | H28 | 157.0° | 157.0° |
| C12 | C40 | C52 | H55 | 177.2° | 180.0° |
| C40 | C12 | C71 | H80 | 178.5° | 179.7° |
| C60 | C63 | O7 | H71 | 180.0° | 180.0° |
| C63 | C60 | N11 | C66 | 6.7° | 0.7° |
| C60 | C63 | O7 | C66 | 1.4° | 1.8° |
| N11 | C60 | C63 | O7 | 5.1° | 1.5° |
| C60 | N11 | C66 | O7 | 6.2° | 0.4° |
| C60 | N11 | C66 | C36 | 174.5° | 179.2° |
| N11 | C60 | C63 | H71 | 174.9° | 178.5° |
| C52 | C64 | C70 | H72 | 180.0° | 179.9° |
| C52 | C64 | C70 | C71 | 0.6° | 0.0° |
| C52 | C64 | C70 | H79 | 179.4° | 180.0° |
| C54 | C43 | C57 | C62 | 5.6° | 115.6° |
| C54 | C43 | C57 | H40 | 180.0° | 177.3° |
| C54 | C43 | C57 | C58 | 177.2° | 63.5° |
| C43 | C54 | C53 | H58 | 114.0° | 47.9° |
| C43 | C54 | C53 | H57 | 5.2° | 73.4° |
| C12 | C71 | C70 | C64 | 0.3° | 0.1° |
| C12 | C71 | C70 | H80 | 180.0° | 179.8° |
| C12 | C71 | C70 | H79 | 179.7° | 179.9° |
| C63 | O7 | C66 | N11 | 2.9° | 1.3° |
| C63 | O7 | C66 | C36 | 177.7° | 178.3° |
| C64 | C70 | C71 | H79 | 180.0° | 179.9° |
| C70 | C64 | C52 | H55 | 179.0° | 180.0° |
| C64 | C70 | C71 | H80 | 179.7° | 179.8° |
| N11 | C66 | O7 | C36 | 179.4° | 179.6° |
| N11 | C66 | C36 | C39 | 30.1° | 20.0° |
| N11 | C66 | C36 | H35 | 90.2° | 100.2° |
| N11 | C66 | C36 | H33 | 150.4° | 140.0° |
| C70 | C71 | C12 | H2 | 178.5° | 179.7° |
| C71 | C70 | C64 | H72 | 179.4° | 180.0° |
| C62 | C57 | C43 | C58 | 177.2° | 179.1° |
| C62 | C57 | C58 | C59 | 1.2° | 0.6° |
| C62 | C57 | C43 | H40 | 174.4° | 61.7° |
| C62 | C57 | C58 | H63 | 178.8° | 179.5° |
| C57 | C62 | H69 | H68 | 120.0° | 120.0° |
| C57 | C62 | H69 | H70 | 120.0° | 120.0° |
| C57 | C62 | H68 | H70 | 120.0° | 119.9° |
| C43 | C57 | C58 | C59 | 178.4° | 179.6° |
| C57 | C43 | C54 | H59 | 1.6° | 0.4° |
| C43 | C57 | C58 | H63 | 1.6° | 0.4° |
| C43 | C57 | C62 | H69 | 180.0° | 5.2° |
| C43 | C57 | C62 | H68 | 60.0° | 114.8° |
| C43 | C57 | C62 | H70 | 60.0° | 125.2° |
| O7 | C66 | C36 | C39 | 150.6° | 160.5° |
| O7 | C66 | C36 | H35 | 89.2° | 79.4° |
| O7 | C66 | C36 | H33 | 30.3° | 40.4° |
| C66 | O7 | C63 | H71 | 178.6° | 178.2° |
| C66 | C36 | C39 | F1 | 77.6° | 21.3° |
| C66 | C36 | C39 | H35 | 120.3° | 120.1° |
| C66 | C36 | C39 | H33 | 120.3° | 120.1° |
| C66 | C36 | C39 | C49 | 156.4° | 98.9° |
| C66 | C36 | H35 | H33 | 119.2° | 119.8° |
| C66 | C36 | C39 | H38 | 39.8° | 140.8° |
| C57 | C58 | C59 | H63 | 180.0° | 179.9° |
| C57 | C58 | C59 | C49 | 107.0° | 176.4° |
| C57 | C58 | C59 | O6 | 134.1° | 63.4° |
| C58 | C57 | C43 | H40 | 2.8° | 119.3° |
| C57 | C58 | C59 | H64 | 14.6° | 56.2° |
| C58 | C57 | C62 | H69 | 2.9° | 175.7° |
| C58 | C57 | C62 | H68 | 117.1° | 64.2° |
| C58 | C57 | C62 | H70 | 122.9° | 55.7° |
| F1 | C39 | C36 | C49 | 126.0° | 120.2° |
| F1 | C39 | C36 | H38 | 117.4° | 119.5° |
| F1 | C39 | C49 | H38 | 117.6° | 119.5° |
| F1 | C39 | C49 | C59 | 64.4° | 79.5° |
| F1 | C39 | C36 | H35 | 162.1° | 141.4° |
| F1 | C39 | C36 | H33 | 42.7° | 98.8° |
| F1 | C39 | C49 | H50 | 175.2° | 160.3° |
| F1 | C39 | C49 | H51 | 55.9° | 40.5° |
| C36 | C39 | C49 | H38 | 116.6° | 120.3° |
| C36 | C39 | C49 | C59 | 169.7° | 160.3° |
| C39 | C36 | H35 | H33 | 119.2° | 119.8° |
| C36 | C39 | C49 | H50 | 49.4° | 40.1° |
| C36 | C39 | C49 | H51 | 69.9° | 79.7° |
| C39 | C49 | C59 | C58 | 67.6° | 132.1° |
| C39 | C49 | C59 | H50 | 120.3° | 120.2° |
| C39 | C49 | C59 | H51 | 120.3° | 120.1° |
| C39 | C49 | C59 | O6 | 174.1° | 11.9° |
| C49 | C39 | C36 | H35 | 36.2° | 21.2° |
| C49 | C39 | C36 | H33 | 83.3° | 141.0° |
| C39 | C49 | H50 | H51 | 119.0° | 119.8° |
| C39 | C49 | C59 | H64 | 54.0° | 107.8° |
| C58 | C59 | C49 | O6 | 118.3° | 120.2° |
| C58 | C59 | C49 | H64 | 121.6° | 120.1° |
| C58 | C59 | O6 | H64 | 118.4° | 119.6° |
| C58 | C59 | O6 | H87 | 180.0° | 63.7° |
| C58 | C59 | C49 | H50 | 52.7° | 107.7° |
| C58 | C59 | C49 | H51 | 172.0° | 12.0° |
| C49 | C59 | O6 | H64 | 118.9° | 119.7° |
| C49 | C59 | O6 | H87 | 57.3° | 57.0° |
| C59 | C49 | C39 | H38 | 53.1° | 40.0° |
| C59 | C49 | H50 | H51 | 118.9° | 119.6° |
| C49 | C59 | C58 | H63 | 73.0° | 3.6° |
| O6 | C59 | C49 | H50 | 65.6° | 132.1° |
| O6 | C59 | C49 | H51 | 53.7° | 108.2° |
| O6 | C59 | C58 | H63 | 45.9° | 116.6° |
| H81 | N1 | C1 | H1 | 162.7° | 18.8° |
| H6 | C6 | C7 | H7 | 0.6° | 0.0° |
| H7 | C7 | C9 | H10 | 0.1° | 0.0° |
| H9 | C8 | C26 | H26 | 176.6° | 59.8° |
| H9 | C8 | C26 | H25 | 63.2° | 179.7° |
| H9 | C8 | C1 | H1 | 179.2° | 63.4° |
| H8 | C8 | C26 | H26 | 58.0° | 179.8° |
| H8 | C8 | C26 | H25 | 178.2° | 60.3° |
| H8 | C8 | C1 | H1 | 62.2° | 176.7° |
| H11 | C10 | C9 | H10 | 0.3° | 0.1° |
| H11 | C10 | C11 | H12 | 0.2° | 0.3° |
| H13 | C13 | C17 | H20 | 61.1° | 55.1° |
| H13 | C13 | C17 | H19 | 178.9° | 64.8° |
| H13 | C13 | C17 | H18 | 58.9° | 175.1° |
| H13 | C13 | C14 | H14 | 56.2° | 31.0° |
| H20 | C17 | H19 | H18 | 120.0° | 120.1° |
| H21 | C20 | C22 | H23 | 0.2° | 0.0° |
| H22 | C21 | C48 | H49 | 26.4° | 125.7° |
| H22 | C21 | C48 | H48 | 147.8° | 4.1° |
| H23 | C22 | C24 | H24 | 0.3° | 0.0° |
| H29 | C28 | C69 | H77 | 67.0° | 61.5° |
| H28 | C28 | C69 | H77 | 174.9° | 178.5° |
| H5 | C2 | N5 | H84 | 134.1° | 112.8° |
| H82 | N6 | C14 | H14 | 152.1° | 149.4° |
| H87 | O6 | C59 | H64 | 61.6° | 176.7° |
| H85 | O11 | C72 | H78 | 137.7° | 60.2° |
| H2 | C12 | C71 | H80 | 1.5° | 0.1° |
| H83 | N13 | C53 | H58 | 61.8° | 147.1° |
| H83 | N13 | C53 | H57 | 178.9° | 25.8° |
| H17 | C16 | H16 | H15 | 120.0° | 120.0° |
| H3 | C23 | C73 | H88 | 73.9° | 69.6° |
| H3 | C23 | C73 | H4 | 44.1° | 49.8° |
| H30 | C30 | C38 | H37 | 173.8° | 92.4° |
| H30 | C30 | C51 | H54 | 63.5° | 165.3° |
| H30 | C30 | C51 | H53 | 176.5° | 45.3° |
| H30 | C30 | C51 | H52 | 56.5° | 74.7° |
| H30 | C30 | C55 | H61 | 63.5° | 135.9° |
| H30 | C30 | C55 | H60 | 56.5° | 104.2° |
| H30 | C30 | C55 | H62 | 176.4° | 15.9° |
| H31 | C31 | C32 | H32 | 174.1° | 175.3° |
| H32 | C32 | C37 | H36 | 50.3° | 159.9° |
| H35 | C36 | C39 | H38 | 80.5° | 99.1° |
| H33 | C36 | C39 | H38 | 160.0° | 20.7° |
| H36 | C37 | C38 | H37 | 69.1° | 140.6° |
| H36 | C37 | C65 | H73 | 54.5° | 64.8° |
| H36 | C37 | C65 | H74 | 172.3° | 175.2° |
| H38 | C39 | C49 | H50 | 67.2° | 80.2° |
| H38 | C39 | C49 | H51 | 173.5° | 160.0° |
| H39 | C42 | C44 | H41 | 24.7° | 1.7° |
| H39 | C42 | C44 | H42 | 145.8° | 123.1° |
| H40 | C43 | C54 | H59 | 178.4° | 177.0° |
| H41 | C44 | C46 | H43 | 35.2° | 7.5° |
| H41 | C44 | C46 | H44 | 87.2° | 129.6° |
| H42 | C44 | C46 | H43 | 156.2° | 113.9° |
| H42 | C44 | C46 | H44 | 33.8° | 8.2° |
| H43 | C46 | C47 | H46 | 35.7° | 105.3° |
| H43 | C46 | C47 | H47 | 157.0° | 15.5° |
| H44 | C46 | C47 | H46 | 86.7° | 16.7° |
| H44 | C46 | C47 | H47 | 34.6° | 137.5° |
| H49 | C48 | C61 | H66 | 35.0° | 6.8° |
| H49 | C48 | C61 | H65 | 87.0° | 115.1° |
| H48 | C48 | C61 | H66 | 156.4° | 128.3° |
| H48 | C48 | C61 | H65 | 34.4° | 6.5° |
| H50 | C49 | C59 | H64 | 174.4° | 12.4° |
| H51 | C49 | C59 | H64 | 66.3° | 132.1° |
| H54 | C51 | H53 | H52 | 120.0° | 120.0° |
| H55 | C52 | C64 | H72 | 1.0° | 0.0° |
| H58 | C53 | C54 | H59 | 65.9° | 132.4° |
| H57 | C53 | C54 | H59 | 174.8° | 106.3° |
| H61 | C55 | H60 | H62 | 120.0° | 120.0° |
| H45 | C56 | C67 | H56 | 57.9° | 54.1° |
| H45 | C56 | C67 | H67 | 61.2° | 66.3° |
| H34 | C56 | C67 | H56 | 178.6° | 173.6° |
| H34 | C56 | C67 | H67 | 59.6° | 53.2° |
| H63 | C58 | C59 | H64 | 165.4° | 123.7° |
| H66 | C61 | C68 | H75 | 153.3° | 136.8° |
| H66 | C61 | C68 | H76 | 31.9° | 16.0° |
| H65 | C61 | C68 | H75 | 31.3° | 14.9° |
| H65 | C61 | C68 | H76 | 90.2° | 105.9° |
| H69 | C62 | H68 | H70 | 120.0° | 120.0° |
| H72 | C64 | C70 | H79 | 0.6° | 0.1° |
| H56 | C67 | C72 | H78 | 49.2° | 62.1° |
| H67 | C67 | C72 | H78 | 69.9° | 58.3° |
| H79 | C70 | C71 | H80 | 0.3° | 0.3° |
| H78 | C72 | C73 | H88 | 73.6° | 58.6° |
| H78 | C72 | C73 | H4 | 44.4° | 61.2° |
