UCR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| O5 | C11 | doub | 1.21Å | 1.23Å | |
| O7 | C21 | doub | 1.21Å | 1.23Å | |
| C73 | C74 | sing | 1.53Å | 1.55Å | |
| C73 | C72 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.53Å | |
| C74 | N4 | sing | 1.46Å | 1.46Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C11 | O6 | sing | 1.34Å | 1.36Å | |
| C21 | C20 | sing | 1.51Å | 1.55Å | |
| C21 | N1 | sing | 1.35Å | 1.34Å | |
| C19 | C23 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | O6 | sing | 1.45Å | 1.43Å | |
| C10 | N13 | sing | 1.48Å | 1.48Å | |
| C68 | C62 | sing | 1.53Å | 1.52Å | |
| C68 | N10 | sing | 1.46Å | 1.46Å | |
| C72 | C1 | sing | 1.53Å | 1.54Å | |
| C20 | N2 | sing | 1.46Å | 1.47Å | |
| N4 | C31 | sing | 1.35Å | 1.37Å | Aromatic |
| N4 | N6 | sing | 1.29Å | 1.33Å | Aromatic |
| C31 | C33 | doub | 1.35Å | 1.38Å | Aromatic |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| C1 | C4 | sing | 1.51Å | 1.54Å | |
| C62 | C50 | sing | 1.54Å | 1.52Å | |
| C57 | C34 | sing | 1.53Å | 1.55Å | |
| N6 | N5 | doub | 1.29Å | 1.38Å | Aromatic |
| C33 | C66 | sing | 1.51Å | 1.52Å | |
| C33 | N5 | sing | 1.34Å | 1.32Å | Aromatic |
| N10 | C4 | sing | 1.35Å | 1.35Å | |
| N10 | C27 | sing | 1.46Å | 1.48Å | |
| N13 | C5 | sing | 1.36Å | 1.34Å | |
| C66 | C40 | sing | 1.53Å | 1.55Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C50 | C27 | sing | 1.53Å | 1.54Å | |
| O8 | C24 | doub | 1.22Å | 1.23Å | |
| N2 | C24 | sing | 1.35Å | 1.34Å | |
| C53 | C34 | sing | 1.53Å | 1.54Å | |
| O3 | C5 | doub | 1.21Å | 1.23Å | |
| C34 | C41 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.48Å | 1.53Å | |
| C27 | C38 | sing | 1.51Å | 1.55Å | |
| C5 | C3 | sing | 1.51Å | 1.56Å | |
| O16 | C38 | doub | 1.21Å | 1.23Å | |
| C40 | C41 | sing | 1.53Å | 1.57Å | |
| C40 | C36 | sing | 1.51Å | 1.53Å | |
| C38 | N11 | sing | 1.36Å | 1.36Å | |
| C41 | O11 | sing | 1.45Å | 1.43Å | |
| O11 | C44 | sing | 1.34Å | 1.35Å | |
| C6 | N12 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| O4 | C8 | sing | 1.43Å | 1.41Å | |
| C25 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.42Å | Aromatic |
| N12 | C3 | sing | 1.50Å | 1.50Å | |
| N12 | C12 | sing | 1.35Å | 1.36Å | |
| C3 | C9 | sing | 1.53Å | 1.56Å | |
| O9 | C30 | sing | 1.36Å | 1.37Å | |
| C36 | C35 | doub | 1.33Å | 1.35Å | |
| C47 | C45 | sing | 1.53Å | 1.54Å | |
| C47 | C48 | sing | 1.54Å | 1.52Å | |
| N11 | C69 | sing | 1.48Å | 1.50Å | |
| N11 | C22 | sing | 1.47Å | 1.48Å | |
| N3 | C26 | sing | 1.31Å | 1.35Å | Aromatic |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C12 | C69 | sing | 1.51Å | 1.56Å | |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C45 | C44 | sing | 1.50Å | 1.52Å | |
| C45 | N8 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C44 | O12 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.52Å | 1.55Å | |
| C35 | C37 | sing | 1.47Å | 1.45Å | |
| C69 | C32 | sing | 1.53Å | 1.56Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| O13 | C52 | doub | 1.22Å | 1.24Å | |
| N8 | C52 | sing | 1.35Å | 1.37Å | |
| N8 | C49 | sing | 1.46Å | 1.48Å | |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| N9 | C37 | sing | 1.36Å | 1.34Å | |
| N9 | C55 | sing | 1.48Å | 1.46Å | |
| C37 | O10 | doub | 1.22Å | 1.23Å | |
| C52 | C61 | sing | 1.47Å | 1.45Å | |
| C32 | C43 | sing | 1.51Å | 1.52Å | |
| C55 | C56 | sing | 1.51Å | 1.52Å | |
| C43 | C54 | doub | 1.38Å | 1.41Å | Aromatic |
| C43 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C54 | C65 | sing | 1.38Å | 1.39Å | Aromatic |
| C61 | C64 | doub | 1.36Å | 1.39Å | Aromatic |
| C61 | N7 | sing | 1.36Å | 1.32Å | Aromatic |
| C56 | C46 | doub | 1.33Å | 1.35Å | |
| C2 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| C65 | C70 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | O15 | sing | 1.34Å | 1.36Å | Aromatic |
| C71 | C70 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | C67 | doub | 1.30Å | 1.31Å | Aromatic |
| C63 | C58 | sing | 1.51Å | 1.53Å | |
| C46 | C58 | sing | 1.47Å | 1.46Å | |
| O15 | C67 | sing | 1.34Å | 1.35Å | Aromatic |
| C58 | C59 | doub | 1.33Å | 1.36Å | |
| C67 | C39 | sing | 1.51Å | 1.52Å | |
| F1 | C42 | sing | 1.40Å | 1.33Å | |
| C42 | C39 | sing | 1.53Å | 1.55Å | |
| C42 | C51 | sing | 1.53Å | 1.54Å | |
| C59 | C60 | sing | 1.50Å | 1.53Å | |
| C60 | C51 | sing | 1.53Å | 1.54Å | |
| C60 | O14 | sing | 1.43Å | 1.41Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N9 | H14 | sing | 0.97Å | 1.00Å | |
| O9 | H15 | sing | 0.97Å | 0.95Å | |
| N13 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| O14 | H19 | sing | 0.97Å | 0.95Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.08Å | 1.08Å | |
| C36 | H41 | sing | 1.08Å | 1.08Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C45 | H47 | sing | 1.10Å | 1.10Å | |
| C46 | H48 | sing | 1.07Å | 1.08Å | |
| C47 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H50 | sing | 1.09Å | 1.10Å | |
| C48 | H51 | sing | 1.09Å | 1.10Å | |
| C48 | H52 | sing | 1.09Å | 1.10Å | |
| C49 | H54 | sing | 1.09Å | 1.10Å | |
| C49 | H53 | sing | 1.09Å | 1.10Å | |
| C50 | H56 | sing | 1.09Å | 1.10Å | |
| C50 | H55 | sing | 1.09Å | 1.10Å | |
| C51 | H57 | sing | 1.09Å | 1.10Å | |
| C51 | H58 | sing | 1.09Å | 1.10Å | |
| C53 | H61 | sing | 1.09Å | 1.10Å | |
| C53 | H60 | sing | 1.09Å | 1.10Å | |
| C53 | H59 | sing | 1.09Å | 1.10Å | |
| C54 | H62 | sing | 1.08Å | 1.08Å | |
| C55 | H63 | sing | 1.09Å | 1.10Å | |
| C55 | H64 | sing | 1.09Å | 1.10Å | |
| C56 | H65 | sing | 1.08Å | 1.08Å | |
| C57 | H67 | sing | 1.09Å | 1.10Å | |
| C57 | H66 | sing | 1.09Å | 1.10Å | |
| C57 | H68 | sing | 1.09Å | 1.10Å | |
| C59 | H69 | sing | 1.08Å | 1.08Å | |
| C60 | H70 | sing | 1.09Å | 1.10Å | |
| C62 | H72 | sing | 1.09Å | 1.10Å | |
| C62 | H71 | sing | 1.09Å | 1.10Å | |
| C63 | H74 | sing | 1.09Å | 1.10Å | |
| C63 | H73 | sing | 1.09Å | 1.10Å | |
| C63 | H75 | sing | 1.09Å | 1.10Å | |
| C64 | H76 | sing | 1.08Å | 1.08Å | |
| C65 | H77 | sing | 1.08Å | 1.08Å | |
| C66 | H78 | sing | 1.09Å | 1.10Å | |
| C66 | H79 | sing | 1.09Å | 1.10Å | |
| C68 | H81 | sing | 1.09Å | 1.10Å | |
| C68 | H80 | sing | 1.09Å | 1.10Å | |
| C69 | H82 | sing | 1.09Å | 1.10Å | |
| C70 | H83 | sing | 1.08Å | 1.08Å | |
| C71 | H84 | sing | 1.08Å | 1.08Å | |
| C72 | H86 | sing | 1.09Å | 1.10Å | |
| C72 | H85 | sing | 1.09Å | 1.10Å | |
| C73 | H88 | sing | 1.09Å | 1.10Å | |
| C73 | H87 | sing | 1.09Å | 1.10Å | |
| C74 | H90 | sing | 1.09Å | 1.10Å | |
| C74 | H89 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C16 | C15 | H20 | 120.1° | 120.0° |
| C15 | C16 | H21 | 119.8° | 120.0° |
| C15 | C14 | C13 | 120.7° | 120.0° |
| C14 | C15 | H20 | 120.1° | 120.0° |
| C15 | C14 | H18 | 119.6° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | H22 | 120.2° | 120.0° |
| C17 | C16 | H21 | 119.8° | 120.0° |
| C14 | C13 | C18 | 118.2° | 120.0° |
| C14 | C13 | C10 | 123.5° | 120.0° |
| C13 | C14 | H18 | 119.6° | 120.0° |
| O5 | C11 | C10 | 121.5° | 120.1° |
| O5 | C11 | O6 | 123.7° | 120.0° |
| O7 | C21 | C20 | 118.5° | 120.0° |
| O7 | C21 | N1 | 122.5° | 120.0° |
| C74 | C73 | C72 | 114.6° | 109.5° |
| C73 | C74 | N4 | 112.9° | 109.5° |
| C74 | C73 | H88 | 108.2° | 109.5° |
| C74 | C73 | H87 | 108.2° | 109.5° |
| C73 | C74 | H90 | 108.6° | 109.5° |
| C73 | C74 | H89 | 108.6° | 109.5° |
| C73 | C72 | C1 | 114.1° | 109.5° |
| C73 | C72 | H86 | 108.3° | 109.4° |
| C73 | C72 | H85 | 108.3° | 109.5° |
| C72 | C73 | H88 | 108.2° | 109.4° |
| C72 | C73 | H87 | 108.1° | 109.4° |
| C17 | C18 | C13 | 121.1° | 120.0° |
| C18 | C17 | H22 | 120.2° | 120.0° |
| C17 | C18 | H23 | 119.5° | 120.0° |
| C18 | C13 | C10 | 118.2° | 120.0° |
| C13 | C18 | H23 | 119.5° | 120.0° |
| C13 | C10 | C11 | 115.2° | 109.6° |
| C13 | C10 | N13 | 110.0° | 109.6° |
| C13 | C10 | H16 | 105.5° | 109.7° |
| C74 | N4 | C31 | 129.7° | 125.9° |
| C74 | N4 | N6 | 119.9° | 125.8° |
| N4 | C74 | H90 | 108.6° | 109.5° |
| N4 | C74 | H89 | 108.6° | 109.4° |
| C10 | C11 | O6 | 114.5° | 119.9° |
| C11 | C10 | N13 | 113.8° | 108.8° |
| C11 | C10 | H16 | 105.4° | 109.6° |
| C11 | O6 | C19 | 120.3° | 116.9° |
| C20 | C21 | N1 | 119.0° | 120.0° |
| C21 | C20 | C19 | 110.8° | 109.5° |
| C21 | C20 | N2 | 115.0° | 109.5° |
| C21 | C20 | H25 | 106.0° | 109.5° |
| C21 | N1 | C1 | 124.9° | 120.1° |
| C21 | N1 | H2 | 117.5° | 119.9° |
| C23 | C19 | C20 | 113.8° | 109.4° |
| C23 | C19 | O6 | 109.1° | 109.5° |
| C23 | C19 | H24 | 107.9° | 109.4° |
| C19 | C23 | H30 | 109.5° | 109.5° |
| C19 | C23 | H29 | 109.5° | 109.5° |
| C19 | C23 | H31 | 109.5° | 109.5° |
| C20 | C19 | O6 | 108.9° | 109.5° |
| C19 | C20 | N2 | 111.7° | 109.5° |
| C19 | C20 | H25 | 105.9° | 109.4° |
| C20 | C19 | H24 | 107.7° | 109.5° |
| O6 | C19 | H24 | 109.3° | 109.5° |
| C10 | N13 | C5 | 127.0° | 116.3° |
| N13 | C10 | H16 | 106.1° | 109.6° |
| C10 | N13 | H17 | 116.5° | 121.9° |
| C62 | C68 | N10 | 105.0° | 107.7° |
| C68 | C62 | C50 | 102.8° | 105.0° |
| C68 | C62 | H72 | 111.1° | 110.4° |
| C68 | C62 | H71 | 111.1° | 110.4° |
| C62 | C68 | H81 | 110.6° | 109.8° |
| C62 | C68 | H80 | 110.6° | 109.8° |
| C68 | N10 | C4 | 125.8° | 125.1° |
| C68 | N10 | C27 | 111.1° | 109.3° |
| N10 | C68 | H81 | 110.6° | 109.8° |
| N10 | C68 | H80 | 110.6° | 109.8° |
| C72 | C1 | N1 | 112.3° | 109.5° |
| C72 | C1 | C4 | 110.0° | 109.4° |
| C72 | C1 | H1 | 108.8° | 109.4° |
| C1 | C72 | H86 | 108.3° | 109.5° |
| C1 | C72 | H85 | 108.3° | 109.5° |
| C20 | N2 | C24 | 125.7° | 120.0° |
| N2 | C20 | H25 | 106.8° | 109.5° |
| C20 | N2 | H4 | 117.1° | 120.1° |
| C31 | N4 | N6 | 110.1° | 108.3° |
| N4 | C31 | C33 | 105.7° | 106.2° |
| N4 | C31 | H36 | 127.2° | 126.9° |
| N4 | N6 | N5 | 106.5° | 110.1° |
| C31 | C33 | C66 | 128.2° | 126.7° |
| C31 | C33 | N5 | 108.6° | 106.5° |
| C33 | C31 | H36 | 127.2° | 126.9° |
| N1 | C1 | C4 | 106.8° | 109.7° |
| C1 | N1 | H2 | 117.5° | 120.0° |
| N1 | C1 | H1 | 110.0° | 109.5° |
| C1 | C4 | N10 | 118.0° | 119.6° |
| C1 | C4 | O1 | 118.0° | 120.2° |
| C4 | C1 | H1 | 108.9° | 109.4° |
| C62 | C50 | C27 | 105.0° | 106.2° |
| C62 | C50 | H56 | 110.6° | 110.1° |
| C62 | C50 | H55 | 110.6° | 110.1° |
| C50 | C62 | H72 | 111.1° | 110.4° |
| C50 | C62 | H71 | 111.1° | 110.3° |
| C57 | C34 | C53 | 111.0° | 109.4° |
| C57 | C34 | C41 | 116.3° | 109.5° |
| C57 | C34 | H39 | 104.8° | 109.4° |
| C34 | C57 | H67 | 109.5° | 109.5° |
| C34 | C57 | H66 | 109.5° | 109.5° |
| C34 | C57 | H68 | 109.5° | 109.5° |
| N6 | N5 | C33 | 109.1° | 108.9° |
| C66 | C33 | N5 | 123.1° | 126.8° |
| C33 | C66 | C40 | 116.1° | 109.5° |
| C33 | C66 | H78 | 107.8° | 109.5° |
| C33 | C66 | H79 | 107.8° | 109.5° |
| C4 | N10 | C27 | 123.0° | 125.5° |
| N10 | C4 | O1 | 124.0° | 120.2° |
| N10 | C27 | C50 | 103.6° | 108.1° |
| N10 | C27 | C38 | 114.1° | 110.1° |
| N10 | C27 | H33 | 110.0° | 109.7° |
| N13 | C5 | O3 | 121.5° | 120.4° |
| N13 | C5 | C3 | 117.0° | 119.2° |
| C5 | N13 | H17 | 116.5° | 121.8° |
| C66 | C40 | C41 | 113.5° | 109.4° |
| C66 | C40 | C36 | 111.9° | 109.4° |
| C66 | C40 | H44 | 106.5° | 109.3° |
| C40 | C66 | H78 | 107.8° | 109.5° |
| C40 | C66 | H79 | 107.8° | 109.4° |
| C50 | C27 | C38 | 110.8° | 109.6° |
| C50 | C27 | H33 | 109.2° | 109.7° |
| C27 | C50 | H56 | 110.6° | 110.1° |
| C27 | C50 | H55 | 110.6° | 110.1° |
| O8 | C24 | N2 | 120.5° | 120.0° |
| O8 | C24 | C25 | 123.2° | 120.0° |
| N2 | C24 | C25 | 116.3° | 120.0° |
| C24 | N2 | H4 | 117.1° | 120.0° |
| C53 | C34 | C41 | 113.8° | 109.5° |
| C53 | C34 | H39 | 104.9° | 109.5° |
| C34 | C53 | H61 | 109.5° | 109.4° |
| C34 | C53 | H60 | 109.5° | 109.5° |
| C34 | C53 | H59 | 109.5° | 109.5° |
| O3 | C5 | C3 | 121.5° | 120.4° |
| C34 | C41 | C40 | 119.1° | 109.3° |
| C34 | C41 | O11 | 109.2° | 109.4° |
| C41 | C34 | H39 | 104.7° | 109.5° |
| C34 | C41 | H45 | 105.3° | 109.3° |
| C24 | C25 | N3 | 116.6° | 119.8° |
| C24 | C25 | C30 | 122.7° | 119.8° |
| C27 | C38 | O16 | 116.8° | 120.4° |
| C27 | C38 | N11 | 120.8° | 119.1° |
| C38 | C27 | H33 | 109.0° | 109.5° |
| C5 | C3 | N12 | 111.7° | 109.5° |
| C5 | C3 | C9 | 113.6° | 109.4° |
| C5 | C3 | H5 | 108.0° | 109.9° |
| O16 | C38 | N11 | 122.4° | 120.5° |
| C41 | C40 | C36 | 111.4° | 110.0° |
| C40 | C41 | O11 | 110.2° | 110.3° |
| C41 | C40 | H44 | 106.4° | 109.4° |
| C40 | C41 | H45 | 105.3° | 109.2° |
| C40 | C36 | C35 | 124.6° | 119.7° |
| C40 | C36 | H41 | 117.7° | 119.6° |
| C36 | C40 | H44 | 106.7° | 109.4° |
| C38 | N11 | C69 | 119.6° | 116.3° |
| C38 | N11 | C22 | 121.6° | 121.8° |
| C41 | O11 | C44 | 121.5° | 117.3° |
| O11 | C41 | H45 | 106.8° | 109.4° |
| O11 | C44 | C45 | 111.5° | 120.8° |
| O11 | C44 | O12 | 124.9° | 119.6° |
| N12 | C6 | C7 | 107.1° | 108.8° |
| C6 | N12 | C3 | 115.6° | 119.3° |
| C6 | N12 | C12 | 117.8° | 120.7° |
| N12 | C6 | H8 | 110.1° | 109.6° |
| N12 | C6 | H7 | 110.1° | 109.6° |
| C6 | C7 | C8 | 112.9° | 112.4° |
| C7 | C6 | H8 | 110.1° | 109.6° |
| C7 | C6 | H7 | 110.1° | 109.6° |
| C6 | C7 | H9 | 108.6° | 108.9° |
| C6 | C7 | H10 | 108.6° | 108.9° |
| O4 | C8 | C7 | 109.0° | 108.8° |
| O4 | C8 | C9 | 110.7° | 108.6° |
| O4 | C8 | H11 | 110.3° | 108.7° |
| C8 | O4 | H6 | 109.5° | 114.0° |
| N3 | C25 | C30 | 120.6° | 120.4° |
| C25 | N3 | C26 | 119.4° | 121.8° |
| C25 | C30 | O9 | 124.0° | 120.5° |
| C25 | C30 | C29 | 118.8° | 118.9° |
| C3 | N12 | C12 | 125.2° | 120.0° |
| N12 | C3 | C9 | 106.6° | 108.9° |
| N12 | C3 | H5 | 108.8° | 109.5° |
| N12 | C12 | O2 | 122.6° | 120.0° |
| N12 | C12 | C69 | 122.0° | 120.0° |
| C3 | C9 | C8 | 116.5° | 110.3° |
| C9 | C3 | H5 | 108.0° | 109.5° |
| C3 | C9 | H12 | 107.7° | 109.3° |
| C3 | C9 | H13 | 107.7° | 109.3° |
| O9 | C30 | C29 | 117.2° | 120.6° |
| C30 | O9 | H15 | 109.5° | 114.0° |
| C36 | C35 | C37 | 126.0° | 120.2° |
| C36 | C35 | H40 | 117.0° | 119.4° |
| C35 | C36 | H41 | 117.7° | 120.6° |
| C45 | C47 | C48 | 104.4° | 105.9° |
| C47 | C45 | C44 | 112.7° | 111.0° |
| C47 | C45 | N8 | 102.4° | 107.7° |
| C47 | C45 | H47 | 108.6° | 109.5° |
| C45 | C47 | H49 | 110.7° | 110.2° |
| C45 | C47 | H50 | 110.7° | 110.2° |
| C47 | C48 | C49 | 103.1° | 105.8° |
| C48 | C47 | H49 | 110.7° | 110.2° |
| C48 | C47 | H50 | 110.7° | 110.2° |
| C47 | C48 | H51 | 111.0° | 110.2° |
| C47 | C48 | H52 | 111.0° | 110.2° |
| C69 | N11 | C22 | 118.8° | 121.8° |
| N11 | C69 | C12 | 111.7° | 109.1° |
| N11 | C69 | C32 | 113.1° | 109.5° |
| N11 | C69 | H82 | 107.8° | 109.6° |
| N11 | C22 | H27 | 109.5° | 109.4° |
| N11 | C22 | H26 | 109.5° | 109.5° |
| N11 | C22 | H28 | 109.5° | 109.5° |
| N3 | C26 | C28 | 122.5° | 121.0° |
| N3 | C26 | H32 | 118.7° | 119.5° |
| O2 | C12 | C69 | 115.3° | 120.0° |
| C12 | C69 | C32 | 109.7° | 109.5° |
| C12 | C69 | H82 | 107.1° | 109.5° |
| C30 | C29 | C28 | 120.0° | 118.5° |
| C30 | C29 | H35 | 120.0° | 120.8° |
| C44 | C45 | N8 | 114.6° | 112.7° |
| C45 | C44 | O12 | 123.5° | 119.6° |
| C44 | C45 | H47 | 108.9° | 108.1° |
| C45 | N8 | C52 | 121.5° | 125.0° |
| C45 | N8 | C49 | 109.9° | 108.8° |
| N8 | C45 | H47 | 109.4° | 107.7° |
| C7 | C8 | C9 | 109.7° | 113.1° |
| C8 | C7 | H9 | 108.6° | 108.7° |
| C8 | C7 | H10 | 108.6° | 109.0° |
| C7 | C8 | H11 | 108.6° | 108.8° |
| C9 | C8 | H11 | 108.5° | 108.8° |
| C8 | C9 | H12 | 107.7° | 109.3° |
| C8 | C9 | H13 | 107.7° | 109.3° |
| C35 | C37 | N9 | 117.3° | 120.8° |
| C35 | C37 | O10 | 120.4° | 119.7° |
| C37 | C35 | H40 | 117.0° | 120.5° |
| C69 | C32 | C43 | 116.5° | 109.5° |
| C69 | C32 | H38 | 107.7° | 109.5° |
| C69 | C32 | H37 | 107.7° | 109.5° |
| C32 | C69 | H82 | 107.1° | 109.6° |
| C48 | C49 | N8 | 106.6° | 108.7° |
| C49 | C48 | H51 | 111.1° | 110.2° |
| C49 | C48 | H52 | 111.1° | 110.1° |
| C48 | C49 | H54 | 110.2° | 109.7° |
| C48 | C49 | H53 | 110.2° | 109.7° |
| C26 | C28 | C29 | 118.6° | 119.4° |
| C28 | C26 | H32 | 118.7° | 119.5° |
| C26 | C28 | H34 | 120.7° | 120.3° |
| O13 | C52 | N8 | 121.6° | 118.9° |
| O13 | C52 | C61 | 118.6° | 118.9° |
| C52 | N8 | C49 | 128.6° | 126.1° |
| N8 | C52 | C61 | 119.7° | 122.1° |
| N8 | C49 | H54 | 110.2° | 109.7° |
| N8 | C49 | H53 | 110.1° | 109.6° |
| C29 | C28 | H34 | 120.7° | 120.3° |
| C28 | C29 | H35 | 120.0° | 120.8° |
| C37 | N9 | C55 | 124.9° | 115.9° |
| N9 | C37 | O10 | 122.3° | 119.6° |
| C37 | N9 | H14 | 117.6° | 122.1° |
| N9 | C55 | C56 | 113.9° | 107.0° |
| C55 | N9 | H14 | 117.5° | 122.1° |
| N9 | C55 | H63 | 108.3° | 110.0° |
| N9 | C55 | H64 | 108.4° | 109.9° |
| C52 | C61 | C64 | 125.7° | 127.8° |
| C52 | C61 | N7 | 126.3° | 125.0° |
| C32 | C43 | C54 | 120.4° | 120.0° |
| C32 | C43 | C2 | 120.1° | 120.0° |
| C43 | C32 | H38 | 107.7° | 109.5° |
| C43 | C32 | H37 | 107.7° | 109.5° |
| C55 | C56 | C46 | 124.7° | 120.4° |
| C56 | C55 | H63 | 108.3° | 110.0° |
| C56 | C55 | H64 | 108.3° | 109.9° |
| C55 | C56 | H65 | 117.7° | 120.6° |
| C54 | C43 | C2 | 119.1° | 120.1° |
| C43 | C54 | C65 | 119.9° | 120.0° |
| C43 | C54 | H62 | 120.1° | 120.0° |
| C43 | C2 | C71 | 119.9° | 120.0° |
| C43 | C2 | H3 | 120.0° | 120.1° |
| C54 | C65 | C70 | 120.3° | 120.0° |
| C65 | C54 | H62 | 120.0° | 120.0° |
| C54 | C65 | H77 | 119.8° | 119.9° |
| C64 | C61 | N7 | 107.6° | 107.2° |
| C61 | C64 | O15 | 108.6° | 107.0° |
| C61 | C64 | H76 | 125.7° | 126.5° |
| C61 | N7 | C67 | 106.8° | 108.2° |
| C56 | C46 | C58 | 125.7° | 119.2° |
| C56 | C46 | H48 | 117.1° | 120.0° |
| C46 | C56 | H65 | 117.6° | 119.1° |
| C2 | C71 | C70 | 120.3° | 120.0° |
| C71 | C2 | H3 | 120.0° | 120.0° |
| C2 | C71 | H84 | 119.9° | 120.1° |
| C65 | C70 | C71 | 120.4° | 120.0° |
| C70 | C65 | H77 | 119.9° | 120.1° |
| C65 | C70 | H83 | 119.8° | 120.0° |
| C64 | O15 | C67 | 103.1° | 108.1° |
| O15 | C64 | H76 | 125.7° | 126.5° |
| C71 | C70 | H83 | 119.8° | 120.1° |
| C70 | C71 | H84 | 119.9° | 119.9° |
| N7 | C67 | O15 | 113.7° | 109.4° |
| N7 | C67 | C39 | 126.7° | 124.9° |
| C63 | C58 | C46 | 120.0° | 118.7° |
| C63 | C58 | C59 | 122.2° | 120.2° |
| C58 | C63 | H74 | 109.5° | 109.4° |
| C58 | C63 | H73 | 109.5° | 109.5° |
| C58 | C63 | H75 | 109.4° | 109.5° |
| C46 | C58 | C59 | 117.8° | 121.1° |
| C58 | C46 | H48 | 117.1° | 120.6° |
| O15 | C67 | C39 | 119.5° | 125.7° |
| C58 | C59 | C60 | 128.4° | 120.6° |
| C58 | C59 | H69 | 115.8° | 119.5° |
| C67 | C39 | C42 | 112.0° | 110.6° |
| C67 | C39 | H43 | 108.8° | 109.3° |
| C67 | C39 | H42 | 108.8° | 109.3° |
| F1 | C42 | C39 | 110.5° | 109.3° |
| F1 | C42 | C51 | 110.7° | 109.2° |
| F1 | C42 | H46 | 108.8° | 109.3° |
| C39 | C42 | C51 | 114.3° | 110.5° |
| C42 | C39 | H43 | 108.8° | 109.2° |
| C42 | C39 | H42 | 108.8° | 109.2° |
| C39 | C42 | H46 | 106.1° | 109.3° |
| C42 | C51 | C60 | 112.4° | 108.9° |
| C51 | C42 | H46 | 106.2° | 109.3° |
| C42 | C51 | H57 | 108.7° | 109.6° |
| C42 | C51 | H58 | 108.7° | 109.6° |
| C59 | C60 | C51 | 114.3° | 110.5° |
| C59 | C60 | O14 | 107.0° | 109.2° |
| C60 | C59 | H69 | 115.8° | 119.9° |
| C59 | C60 | H70 | 108.9° | 109.3° |
| C51 | C60 | O14 | 107.3° | 109.3° |
| C60 | C51 | H57 | 108.8° | 109.6° |
| C60 | C51 | H58 | 108.7° | 109.7° |
| C51 | C60 | H70 | 108.8° | 109.3° |
| C60 | O14 | H19 | 109.5° | 113.9° |
| O14 | C60 | H70 | 110.6° | 109.3° |
| H8 | C6 | H7 | 109.4° | 109.7° |
| H9 | C7 | H10 | 109.5° | 108.8° |
| H27 | C22 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.4° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.2° |
| H30 | C23 | H29 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.4° | 109.5° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H38 | C32 | H37 | 109.5° | 109.4° |
| H43 | C39 | H42 | 109.5° | 109.3° |
| H49 | C47 | H50 | 109.5° | 110.1° |
| H51 | C48 | H52 | 109.4° | 110.2° |
| H54 | C49 | H53 | 109.5° | 109.5° |
| H56 | C50 | H55 | 109.5° | 110.1° |
| H57 | C51 | H58 | 109.5° | 109.5° |
| H61 | C53 | H60 | 109.4° | 109.5° |
| H61 | C53 | H59 | 109.5° | 109.5° |
| H60 | C53 | H59 | 109.5° | 109.4° |
| H63 | C55 | H64 | 109.5° | 110.0° |
| H67 | C57 | H66 | 109.5° | 109.4° |
| H67 | C57 | H68 | 109.5° | 109.5° |
| H66 | C57 | H68 | 109.4° | 109.5° |
| H72 | C62 | H71 | 109.5° | 110.3° |
| H74 | C63 | H73 | 109.5° | 109.5° |
| H74 | C63 | H75 | 109.5° | 109.4° |
| H73 | C63 | H75 | 109.5° | 109.5° |
| H78 | C66 | H79 | 109.5° | 109.5° |
| H81 | C68 | H80 | 109.5° | 109.8° |
| H86 | C72 | H85 | 109.4° | 109.4° |
| H88 | C73 | H87 | 109.5° | 109.5° |
| H90 | C74 | H89 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H20 | 180.0° | 179.7° |
| C15 | C16 | C17 | H21 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.6° | 0.1° |
| C15 | C16 | C17 | C18 | 0.7° | 0.6° |
| C15 | C16 | C17 | H22 | 179.4° | 179.9° |
| C16 | C15 | C14 | H18 | 179.4° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | H18 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.9° | 0.1° |
| C15 | C14 | C13 | C10 | 176.6° | 179.7° |
| C14 | C15 | C16 | H21 | 179.8° | 180.0° |
| C16 | C17 | C18 | H22 | 180.0° | 179.3° |
| C16 | C17 | C18 | C13 | 0.3° | 0.6° |
| C17 | C16 | C15 | H20 | 179.8° | 180.0° |
| C16 | C17 | C18 | H23 | 179.6° | 179.4° |
| C14 | C13 | C18 | C17 | 0.4° | 0.3° |
| C14 | C13 | C18 | C10 | 177.6° | 179.7° |
| C14 | C13 | C10 | C11 | 3.6° | 39.1° |
| C14 | C13 | C10 | N13 | 133.7° | 80.2° |
| C14 | C13 | C10 | H16 | 112.3° | 159.4° |
| C13 | C14 | C15 | H20 | 179.4° | 179.7° |
| C14 | C13 | C18 | H23 | 179.6° | 179.7° |
| O5 | C11 | C10 | C13 | 76.2° | 165.7° |
| O5 | C11 | C10 | O6 | 174.7° | 180.0° |
| O5 | C11 | O6 | C19 | 5.8° | 0.1° |
| O5 | C11 | C10 | N13 | 155.5° | 45.9° |
| O5 | C11 | C10 | H16 | 39.7° | 73.9° |
| O7 | C21 | C20 | N1 | 178.9° | 180.0° |
| O7 | C21 | C20 | C19 | 49.1° | 4.0° |
| O7 | C21 | C20 | N2 | 176.9° | 124.0° |
| O7 | C21 | N1 | C1 | 10.9° | 57.4° |
| O7 | C21 | N1 | H2 | 169.1° | 122.9° |
| O7 | C21 | C20 | H25 | 65.3° | 115.9° |
| C74 | C73 | C72 | H88 | 120.8° | 120.0° |
| C74 | C73 | C72 | H87 | 120.7° | 120.0° |
| C73 | C74 | N4 | H90 | 120.5° | 120.0° |
| C73 | C74 | N4 | H89 | 120.5° | 120.0° |
| C74 | C73 | C72 | C1 | 101.8° | 177.6° |
| C73 | C74 | N4 | C31 | 29.1° | 120.1° |
| C73 | C74 | N4 | N6 | 157.8° | 59.6° |
| C74 | C73 | C72 | H86 | 18.9° | 62.4° |
| C74 | C73 | C72 | H85 | 137.5° | 57.6° |
| C74 | C73 | H88 | H87 | 117.7° | 120.0° |
| C73 | C74 | H90 | H89 | 118.5° | 120.0° |
| C72 | C73 | C74 | N4 | 64.2° | 174.2° |
| C73 | C72 | C1 | H86 | 120.7° | 120.0° |
| C73 | C72 | C1 | H85 | 120.7° | 120.0° |
| C73 | C72 | C1 | N1 | 60.1° | 174.0° |
| C73 | C72 | C1 | C4 | 178.8° | 65.8° |
| C73 | C72 | C1 | H1 | 61.9° | 54.1° |
| C73 | C72 | H86 | H85 | 117.9° | 120.0° |
| C72 | C73 | H88 | H87 | 117.6° | 120.0° |
| C72 | C73 | C74 | H90 | 56.3° | 54.2° |
| C72 | C73 | C74 | H89 | 175.3° | 65.8° |
| C17 | C18 | C13 | H23 | 180.0° | 180.0° |
| C17 | C18 | C13 | C10 | 177.2° | 180.0° |
| C18 | C17 | C16 | H21 | 179.4° | 179.7° |
| C18 | C13 | C10 | C11 | 178.9° | 140.6° |
| C18 | C13 | C10 | N13 | 48.8° | 100.1° |
| C18 | C13 | C10 | H16 | 65.2° | 20.3° |
| C13 | C18 | C17 | H22 | 179.7° | 179.9° |
| C18 | C13 | C14 | H18 | 179.1° | 179.9° |
| C13 | C10 | C11 | N13 | 128.3° | 119.8° |
| C13 | C10 | C11 | H16 | 115.9° | 120.4° |
| C13 | C10 | C11 | O6 | 98.6° | 14.3° |
| C13 | C10 | N13 | H16 | 113.7° | 120.4° |
| C13 | C10 | N13 | C5 | 160.0° | 1.0° |
| C13 | C10 | N13 | H17 | 20.0° | 179.0° |
| C10 | C13 | C14 | H18 | 3.4° | 0.4° |
| C10 | C13 | C18 | H23 | 2.8° | 0.0° |
| C74 | N4 | C31 | N6 | 173.7° | 179.8° |
| C74 | N4 | C31 | C33 | 175.2° | 179.7° |
| C74 | N4 | N6 | N5 | 175.6° | 179.7° |
| C74 | N4 | C31 | H36 | 4.8° | 0.2° |
| N4 | C74 | C73 | H88 | 56.6° | 54.2° |
| N4 | C74 | C73 | H87 | 175.1° | 65.8° |
| N4 | C74 | H90 | H89 | 118.4° | 120.0° |
| C10 | C11 | O6 | C19 | 168.8° | 179.9° |
| C11 | C10 | N13 | H16 | 115.5° | 119.8° |
| C11 | C10 | N13 | C5 | 69.1° | 118.9° |
| C11 | C10 | N13 | H17 | 110.9° | 61.1° |
| C11 | O6 | C19 | C23 | 88.1° | 40.3° |
| C11 | O6 | C19 | C20 | 147.1° | 160.3° |
| O6 | C11 | C10 | N13 | 29.7° | 134.1° |
| O6 | C11 | C10 | H16 | 145.6° | 106.1° |
| C11 | O6 | C19 | H24 | 29.7° | 79.6° |
| C21 | C20 | C19 | C23 | 179.2° | 62.0° |
| C21 | C20 | C19 | N2 | 129.6° | 120.0° |
| C21 | C20 | C19 | H25 | 114.5° | 120.0° |
| C21 | C20 | C19 | O6 | 58.8° | 58.1° |
| C21 | C20 | N2 | H25 | 117.3° | 120.1° |
| C20 | C21 | N1 | C1 | 167.9° | 122.6° |
| C21 | C20 | N2 | C24 | 97.1° | 84.4° |
| C20 | C21 | N1 | H2 | 12.1° | 57.1° |
| C21 | C20 | N2 | H4 | 82.9° | 95.6° |
| C21 | C20 | C19 | H24 | 59.6° | 178.1° |
| N1 | C21 | C20 | C19 | 129.8° | 176.0° |
| C21 | N1 | C1 | C72 | 106.6° | 76.7° |
| N1 | C21 | C20 | N2 | 2.0° | 56.0° |
| C21 | N1 | C1 | H2 | 180.0° | 179.7° |
| C21 | N1 | C1 | C4 | 132.7° | 43.4° |
| N1 | C21 | C20 | H25 | 115.7° | 64.1° |
| C21 | N1 | C1 | H1 | 14.7° | 163.4° |
| C23 | C19 | C20 | O6 | 122.0° | 120.0° |
| C23 | C19 | C20 | H24 | 119.6° | 119.9° |
| C23 | C19 | O6 | H24 | 117.7° | 119.9° |
| C23 | C19 | C20 | N2 | 51.2° | 58.0° |
| C23 | C19 | C20 | H25 | 64.7° | 178.1° |
| C19 | C23 | H30 | H29 | 120.0° | 120.0° |
| C19 | C23 | H30 | H31 | 120.0° | 120.1° |
| C19 | C23 | H29 | H31 | 120.0° | 120.1° |
| C20 | C19 | O6 | H24 | 117.5° | 120.1° |
| C19 | C20 | N2 | H25 | 115.4° | 120.0° |
| C19 | C20 | N2 | C24 | 135.6° | 155.6° |
| C19 | C20 | N2 | H4 | 44.4° | 24.4° |
| C20 | C19 | C23 | H30 | 180.0° | 82.0° |
| C20 | C19 | C23 | H29 | 60.0° | 158.0° |
| C20 | C19 | C23 | H31 | 60.0° | 38.0° |
| O6 | C19 | C20 | N2 | 70.7° | 178.1° |
| O6 | C19 | C20 | H25 | 173.3° | 61.9° |
| O6 | C19 | C23 | H30 | 58.1° | 38.0° |
| O6 | C19 | C23 | H29 | 178.1° | 82.0° |
| O6 | C19 | C23 | H31 | 61.9° | 158.0° |
| C10 | N13 | C5 | H17 | 180.0° | 180.0° |
| C10 | N13 | C5 | O3 | 13.3° | 0.8° |
| C10 | N13 | C5 | C3 | 164.2° | 179.3° |
| C62 | C68 | N10 | H81 | 119.3° | 119.6° |
| C62 | C68 | N10 | H80 | 119.3° | 119.5° |
| C68 | C62 | C50 | H72 | 118.9° | 118.9° |
| C68 | C62 | C50 | H71 | 118.9° | 118.9° |
| C62 | C68 | N10 | C4 | 162.1° | 162.2° |
| C62 | C68 | N10 | C27 | 16.9° | 17.9° |
| C68 | C62 | C50 | C27 | 35.1° | 13.5° |
| C68 | C62 | C50 | H56 | 154.4° | 132.7° |
| C68 | C62 | C50 | H55 | 84.2° | 105.7° |
| C68 | C62 | H72 | H71 | 123.1° | 122.2° |
| C62 | C68 | H81 | H80 | 122.1° | 120.9° |
| C68 | N10 | C4 | C1 | 10.5° | 1.9° |
| N10 | C68 | C62 | C50 | 31.8° | 19.3° |
| C68 | N10 | C4 | C27 | 178.9° | 179.9° |
| C68 | N10 | C4 | O1 | 170.6° | 178.0° |
| C68 | N10 | C27 | C50 | 5.0° | 9.1° |
| C68 | N10 | C27 | C38 | 125.5° | 128.9° |
| C68 | N10 | C27 | H33 | 111.6° | 110.5° |
| N10 | C68 | C62 | H72 | 87.1° | 99.7° |
| N10 | C68 | C62 | H71 | 150.8° | 138.1° |
| N10 | C68 | H81 | H80 | 122.1° | 120.9° |
| C72 | C1 | N1 | C4 | 120.6° | 120.0° |
| C72 | C1 | N1 | H1 | 121.4° | 119.9° |
| C72 | C1 | C4 | H1 | 119.2° | 119.8° |
| C72 | C1 | C4 | N10 | 100.2° | 87.1° |
| C72 | C1 | C4 | O1 | 80.9° | 92.9° |
| C72 | C1 | N1 | H2 | 73.4° | 103.0° |
| C1 | C72 | H86 | H85 | 117.9° | 120.0° |
| C1 | C72 | C73 | H88 | 137.5° | 57.6° |
| C1 | C72 | C73 | H87 | 19.0° | 62.4° |
| C20 | N2 | C24 | O8 | 4.9° | 4.8° |
| C20 | N2 | C24 | H4 | 180.0° | 180.0° |
| C20 | N2 | C24 | C25 | 173.7° | 175.2° |
| N2 | C20 | C19 | H24 | 170.8° | 61.9° |
| N4 | C31 | C33 | H36 | 180.0° | 179.9° |
| C31 | N4 | N6 | N5 | 1.2° | 0.0° |
| N4 | C31 | C33 | C66 | 178.9° | 180.0° |
| N4 | C31 | C33 | N5 | 1.2° | 0.0° |
| C31 | N4 | C74 | H90 | 149.6° | 119.8° |
| C31 | N4 | C74 | H89 | 91.4° | 0.2° |
| N6 | N4 | C31 | C33 | 1.5° | 0.0° |
| N4 | N6 | N5 | C33 | 0.4° | 0.0° |
| N6 | N4 | C31 | H36 | 178.5° | 180.0° |
| N6 | N4 | C74 | H90 | 37.3° | 60.4° |
| N6 | N4 | C74 | H89 | 81.7° | 179.6° |
| C31 | C33 | N5 | N6 | 0.6° | 0.0° |
| C31 | C33 | C66 | N5 | 177.4° | 180.0° |
| C31 | C33 | C66 | C40 | 157.4° | 122.1° |
| C31 | C33 | C66 | H78 | 81.6° | 117.9° |
| C31 | C33 | C66 | H79 | 36.4° | 2.1° |
| N1 | C1 | C4 | H1 | 118.7° | 120.1° |
| N1 | C1 | C4 | N10 | 137.7° | 152.8° |
| N1 | C1 | C4 | O1 | 41.2° | 27.1° |
| N1 | C1 | C72 | H86 | 60.6° | 66.0° |
| N1 | C1 | C72 | H85 | 179.2° | 54.0° |
| C1 | C4 | N10 | O1 | 178.8° | 180.0° |
| C1 | C4 | N10 | C27 | 170.6° | 177.9° |
| C4 | C1 | N1 | H2 | 47.3° | 136.9° |
| C4 | C1 | C72 | H86 | 58.2° | 54.2° |
| C4 | C1 | C72 | H85 | 60.4° | 174.2° |
| C62 | C50 | C27 | N10 | 25.1° | 3.2° |
| C62 | C50 | C27 | H56 | 119.3° | 119.2° |
| C62 | C50 | C27 | H55 | 119.3° | 119.2° |
| C62 | C50 | C27 | C38 | 147.9° | 116.9° |
| C62 | C50 | C27 | H33 | 92.1° | 122.8° |
| C62 | C50 | H56 | H55 | 122.1° | 121.6° |
| C50 | C62 | H72 | H71 | 123.1° | 122.2° |
| C50 | C62 | C68 | H81 | 87.4° | 100.3° |
| C50 | C62 | C68 | H80 | 151.1° | 138.8° |
| C57 | C34 | C53 | C41 | 133.4° | 120.0° |
| C57 | C34 | C53 | H39 | 112.7° | 119.9° |
| C57 | C34 | C41 | H39 | 115.1° | 120.0° |
| C57 | C34 | C41 | C40 | 88.3° | 60.4° |
| C57 | C34 | C41 | O11 | 39.5° | 178.8° |
| C57 | C34 | C41 | H45 | 153.9° | 59.1° |
| C57 | C34 | C53 | H61 | 180.0° | 64.4° |
| C57 | C34 | C53 | H60 | 60.0° | 55.7° |
| C57 | C34 | C53 | H59 | 60.0° | 175.7° |
| C34 | C57 | H67 | H66 | 120.0° | 120.0° |
| C34 | C57 | H67 | H68 | 120.0° | 120.0° |
| C34 | C57 | H66 | H68 | 120.0° | 120.0° |
| N6 | N5 | C33 | C66 | 178.4° | 180.0° |
| C33 | C66 | C40 | H78 | 121.0° | 120.0° |
| C33 | C66 | C40 | H79 | 120.9° | 120.0° |
| C33 | C66 | C40 | C41 | 174.8° | 172.5° |
| C33 | C66 | C40 | C36 | 58.2° | 67.0° |
| C66 | C33 | C31 | H36 | 1.1° | 0.1° |
| C33 | C66 | C40 | H44 | 58.1° | 52.7° |
| C33 | C66 | H78 | H79 | 117.0° | 120.0° |
| N5 | C33 | C66 | C40 | 25.2° | 57.9° |
| N5 | C33 | C31 | H36 | 178.8° | 180.0° |
| N5 | C33 | C66 | H78 | 95.8° | 62.2° |
| N5 | C33 | C66 | H79 | 146.2° | 177.8° |
| C4 | N10 | C27 | C50 | 176.0° | 171.0° |
| C4 | N10 | C27 | C38 | 55.4° | 51.2° |
| N10 | C4 | C1 | H1 | 19.0° | 32.7° |
| C4 | N10 | C27 | H33 | 67.5° | 69.4° |
| C4 | N10 | C68 | H81 | 78.6° | 78.2° |
| C4 | N10 | C68 | H80 | 42.8° | 42.7° |
| C27 | N10 | C4 | O1 | 8.2° | 2.1° |
| N10 | C27 | C50 | C38 | 122.8° | 120.1° |
| N10 | C27 | C50 | H33 | 117.2° | 119.6° |
| N10 | C27 | C38 | H33 | 123.4° | 120.7° |
| N10 | C27 | C38 | O16 | 26.6° | 53.8° |
| N10 | C27 | C38 | N11 | 154.0° | 126.2° |
| N10 | C27 | C50 | H56 | 144.4° | 122.4° |
| N10 | C27 | C50 | H55 | 94.2° | 116.0° |
| C27 | N10 | C68 | H81 | 102.4° | 101.6° |
| C27 | N10 | C68 | H80 | 136.2° | 137.5° |
| N13 | C5 | O3 | C3 | 177.4° | 179.9° |
| N13 | C5 | C3 | N12 | 52.3° | 134.8° |
| N13 | C5 | C3 | C9 | 172.9° | 105.8° |
| C5 | N13 | C10 | H16 | 46.3° | 121.4° |
| N13 | C5 | C3 | H5 | 67.4° | 14.5° |
| C66 | C40 | C41 | C34 | 59.0° | 79.8° |
| C66 | C40 | C41 | C36 | 127.3° | 120.1° |
| C66 | C40 | C41 | H44 | 116.8° | 119.7° |
| C66 | C40 | C36 | H44 | 116.2° | 119.7° |
| C66 | C40 | C41 | O11 | 68.4° | 40.5° |
| C66 | C40 | C36 | C35 | 127.3° | 79.5° |
| C66 | C40 | C36 | H41 | 52.7° | 96.8° |
| C66 | C40 | C41 | H45 | 176.7° | 160.7° |
| C40 | C66 | H78 | H79 | 117.0° | 120.0° |
| O1 | C4 | C1 | H1 | 159.9° | 147.2° |
| C50 | C27 | C38 | H33 | 120.1° | 120.4° |
| C50 | C27 | C38 | O16 | 89.8° | 65.0° |
| C50 | C27 | C38 | N11 | 89.5° | 115.0° |
| C27 | C50 | H56 | H55 | 122.1° | 121.6° |
| C27 | C50 | C62 | H72 | 83.8° | 105.4° |
| C27 | C50 | C62 | H71 | 154.1° | 132.4° |
| O8 | C24 | N2 | C25 | 178.6° | 180.0° |
| O8 | C24 | C25 | N3 | 174.5° | 174.8° |
| O8 | C24 | C25 | C30 | 6.7° | 5.2° |
| O8 | C24 | N2 | H4 | 175.1° | 175.1° |
| N2 | C24 | C25 | N3 | 6.9° | 5.3° |
| N2 | C24 | C25 | C30 | 171.9° | 174.7° |
| C24 | N2 | C20 | H25 | 20.2° | 35.7° |
| C53 | C34 | C41 | H39 | 114.0° | 120.0° |
| C53 | C34 | C41 | C40 | 42.5° | 179.6° |
| C53 | C34 | C41 | O11 | 170.4° | 58.8° |
| C53 | C34 | C41 | H45 | 75.2° | 60.9° |
| C34 | C53 | H61 | H60 | 120.0° | 120.1° |
| C34 | C53 | H61 | H59 | 120.0° | 119.9° |
| C34 | C53 | H60 | H59 | 120.0° | 120.0° |
| C53 | C34 | C57 | H67 | 180.0° | 179.9° |
| C53 | C34 | C57 | H66 | 60.0° | 60.0° |
| C53 | C34 | C57 | H68 | 60.0° | 60.0° |
| O3 | C5 | C3 | N12 | 125.2° | 45.3° |
| O3 | C5 | C3 | C9 | 4.6° | 74.1° |
| O3 | C5 | C3 | H5 | 115.1° | 165.6° |
| O3 | C5 | N13 | H17 | 166.7° | 179.2° |
| C34 | C41 | C40 | O11 | 127.4° | 120.3° |
| C34 | C41 | C40 | H45 | 117.7° | 119.5° |
| C34 | C41 | C40 | C36 | 173.7° | 160.1° |
| C34 | C41 | O11 | H45 | 113.4° | 119.7° |
| C34 | C41 | O11 | C44 | 128.9° | 11.1° |
| C34 | C41 | C40 | H44 | 57.8° | 39.9° |
| C41 | C34 | C53 | H61 | 46.6° | 55.6° |
| C41 | C34 | C53 | H60 | 73.4° | 175.7° |
| C41 | C34 | C53 | H59 | 166.6° | 64.3° |
| C41 | C34 | C57 | H67 | 47.8° | 60.0° |
| C41 | C34 | C57 | H66 | 167.8° | 179.9° |
| C41 | C34 | C57 | H68 | 72.2° | 60.0° |
| C24 | C25 | N3 | C30 | 178.9° | 180.0° |
| C24 | C25 | C30 | O9 | 0.1° | 0.0° |
| C24 | C25 | N3 | C26 | 179.2° | 180.0° |
| C24 | C25 | C30 | C29 | 179.1° | 180.0° |
| C25 | C24 | N2 | H4 | 6.3° | 4.9° |
| C27 | C38 | O16 | N11 | 179.3° | 180.0° |
| C27 | C38 | N11 | C69 | 177.8° | 175.6° |
| C27 | C38 | N11 | C22 | 1.3° | 4.4° |
| C38 | C27 | C50 | H56 | 92.8° | 2.4° |
| C38 | C27 | C50 | H55 | 28.6° | 124.0° |
| C5 | C3 | N12 | C6 | 66.3° | 132.1° |
| C5 | C3 | N12 | C9 | 124.6° | 119.6° |
| C5 | C3 | N12 | H5 | 119.2° | 120.6° |
| C5 | C3 | N12 | C12 | 127.3° | 47.7° |
| C5 | C3 | C9 | H5 | 119.7° | 120.5° |
| C5 | C3 | C9 | C8 | 74.8° | 178.0° |
| C5 | C3 | C9 | H12 | 46.3° | 61.7° |
| C5 | C3 | C9 | H13 | 164.2° | 57.7° |
| C3 | C5 | N13 | H17 | 15.8° | 0.7° |
| O16 | C38 | N11 | C69 | 2.8° | 4.4° |
| O16 | C38 | N11 | C22 | 178.0° | 175.6° |
| O16 | C38 | C27 | H33 | 150.1° | 174.5° |
| C41 | C40 | C36 | H44 | 115.7° | 120.2° |
| C40 | C41 | O11 | H45 | 113.9° | 120.1° |
| C40 | C41 | O11 | C44 | 98.4° | 109.1° |
| C41 | C40 | C36 | C35 | 104.5° | 160.4° |
| C40 | C41 | C34 | H39 | 156.5° | 59.6° |
| C41 | C40 | C36 | H41 | 75.4° | 23.3° |
| C41 | C40 | C66 | H78 | 53.8° | 52.4° |
| C41 | C40 | C66 | H79 | 64.3° | 67.5° |
| C36 | C40 | C41 | O11 | 58.9° | 79.6° |
| C40 | C36 | C35 | H41 | 180.0° | 176.3° |
| C40 | C36 | C35 | C37 | 174.7° | 171.7° |
| C40 | C36 | C35 | H40 | 5.3° | 7.2° |
| C36 | C40 | C41 | H45 | 56.0° | 40.6° |
| C36 | C40 | C66 | H78 | 179.2° | 173.0° |
| C36 | C40 | C66 | H79 | 62.7° | 53.0° |
| C38 | N11 | C69 | C22 | 179.1° | 180.0° |
| C38 | N11 | C69 | C12 | 67.4° | 120.6° |
| C38 | N11 | C69 | C32 | 168.4° | 0.7° |
| C38 | N11 | C22 | H27 | 180.0° | 175.2° |
| C38 | N11 | C22 | H26 | 60.0° | 55.2° |
| C38 | N11 | C22 | H28 | 60.0° | 64.8° |
| N11 | C38 | C27 | H33 | 30.6° | 5.5° |
| C38 | N11 | C69 | H82 | 50.1° | 119.5° |
| C41 | O11 | C44 | C45 | 170.9° | 161.5° |
| C41 | O11 | C44 | O12 | 6.7° | 18.5° |
| O11 | C41 | C34 | H39 | 75.6° | 61.3° |
| O11 | C41 | C40 | H44 | 174.8° | 160.2° |
| O11 | C44 | C45 | C47 | 68.2° | 147.9° |
| O11 | C44 | C45 | O12 | 177.6° | 180.0° |
| O11 | C44 | C45 | N8 | 175.3° | 91.2° |
| C44 | O11 | C41 | H45 | 15.5° | 130.8° |
| O11 | C44 | C45 | H47 | 52.3° | 27.8° |
| N12 | C6 | C7 | H8 | 119.7° | 119.8° |
| N12 | C6 | C7 | H7 | 119.6° | 119.8° |
| C6 | N12 | C3 | C12 | 166.4° | 179.8° |
| C6 | N12 | C3 | C9 | 58.3° | 12.5° |
| C6 | N12 | C12 | O2 | 11.9° | 178.1° |
| C6 | N12 | C12 | C69 | 168.5° | 1.8° |
| N12 | C6 | C7 | C8 | 58.3° | 55.4° |
| N12 | C6 | H8 | H7 | 121.1° | 120.4° |
| N12 | C6 | C7 | H9 | 62.2° | 65.2° |
| N12 | C6 | C7 | H10 | 178.8° | 176.3° |
| C6 | N12 | C3 | H5 | 174.5° | 107.3° |
| C6 | C7 | C8 | O4 | 70.6° | 109.7° |
| C7 | C6 | N12 | C3 | 64.2° | 43.7° |
| C7 | C6 | N12 | C12 | 103.3° | 136.5° |
| C6 | C7 | C8 | H9 | 120.5° | 120.7° |
| C6 | C7 | C8 | H10 | 120.5° | 120.9° |
| C6 | C7 | C8 | C9 | 50.8° | 11.1° |
| C7 | C6 | H8 | H7 | 121.1° | 120.3° |
| C6 | C7 | H9 | H10 | 118.5° | 118.6° |
| C6 | C7 | C8 | H11 | 169.2° | 132.1° |
| O4 | C8 | C9 | C3 | 73.4° | 166.9° |
| O4 | C8 | C7 | C9 | 121.4° | 120.8° |
| O4 | C8 | C7 | H11 | 120.2° | 118.2° |
| O4 | C8 | C9 | H11 | 121.2° | 118.1° |
| O4 | C8 | C7 | H9 | 168.9° | 129.6° |
| O4 | C8 | C7 | H10 | 49.9° | 11.2° |
| O4 | C8 | C9 | H12 | 47.6° | 72.9° |
| O4 | C8 | C9 | H13 | 165.6° | 46.6° |
| N3 | C25 | C30 | O9 | 178.9° | 180.0° |
| N3 | C25 | C30 | C29 | 0.3° | 0.0° |
| C25 | N3 | C26 | C28 | 0.2° | 0.0° |
| C25 | N3 | C26 | H32 | 179.8° | 180.0° |
| C25 | C30 | O9 | C29 | 179.2° | 180.0° |
| C30 | C25 | N3 | C26 | 0.4° | 0.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.0° |
| C25 | C30 | O9 | H15 | 2.4° | 95.0° |
| C25 | C30 | C29 | H35 | 179.9° | 180.0° |
| N12 | C3 | C9 | H5 | 116.8° | 119.8° |
| C3 | N12 | C12 | O2 | 178.0° | 2.0° |
| C3 | N12 | C12 | C69 | 2.4° | 178.0° |
| N12 | C3 | C9 | C8 | 48.7° | 58.3° |
| C3 | N12 | C6 | H8 | 176.2° | 76.1° |
| C3 | N12 | C6 | H7 | 55.5° | 163.5° |
| N12 | C3 | C9 | H12 | 169.7° | 178.6° |
| N12 | C3 | C9 | H13 | 72.3° | 61.9° |
| C12 | N12 | C3 | C9 | 108.1° | 167.4° |
| N12 | C12 | C69 | N11 | 118.3° | 160.7° |
| N12 | C12 | O2 | C69 | 179.6° | 180.0° |
| N12 | C12 | C69 | C32 | 115.5° | 79.5° |
| C12 | N12 | C6 | H8 | 16.4° | 103.7° |
| C12 | N12 | C6 | H7 | 137.1° | 16.7° |
| C12 | N12 | C3 | H5 | 8.1° | 72.9° |
| N12 | C12 | C69 | H82 | 0.5° | 40.7° |
| C3 | C9 | C8 | C7 | 46.9° | 46.0° |
| C3 | C9 | C8 | H12 | 121.0° | 120.3° |
| C3 | C9 | C8 | H13 | 121.0° | 120.3° |
| C3 | C9 | C8 | H11 | 165.4° | 75.0° |
| C3 | C9 | H12 | H13 | 116.8° | 119.6° |
| O9 | C30 | C29 | C28 | 179.2° | 180.0° |
| O9 | C30 | C29 | H35 | 0.8° | 0.1° |
| C36 | C35 | C37 | H40 | 180.0° | 178.8° |
| C36 | C35 | C37 | N9 | 23.6° | 173.9° |
| C36 | C35 | C37 | O10 | 156.6° | 6.2° |
| C35 | C36 | C40 | H44 | 11.1° | 40.2° |
| C45 | C47 | C48 | H49 | 119.2° | 119.1° |
| C45 | C47 | C48 | H50 | 119.2° | 119.1° |
| C47 | C45 | C44 | N8 | 116.5° | 120.9° |
| C47 | C45 | C44 | H47 | 120.5° | 120.2° |
| C47 | C45 | N8 | H47 | 115.0° | 118.1° |
| C47 | C45 | C44 | O12 | 109.4° | 32.1° |
| C45 | C47 | C48 | C49 | 35.2° | 9.2° |
| C47 | C45 | N8 | C52 | 158.1° | 165.5° |
| C47 | C45 | N8 | C49 | 22.4° | 18.2° |
| C45 | C47 | H49 | H50 | 122.4° | 121.8° |
| C45 | C47 | C48 | H51 | 154.2° | 109.9° |
| C45 | C47 | C48 | H52 | 83.8° | 128.2° |
| C48 | C47 | C45 | C44 | 88.1° | 140.6° |
| C48 | C47 | C45 | N8 | 35.5° | 16.8° |
| C47 | C48 | C49 | H51 | 119.0° | 119.1° |
| C47 | C48 | C49 | H52 | 119.0° | 119.1° |
| C47 | C48 | C49 | N8 | 21.5° | 1.5° |
| C48 | C47 | C45 | H47 | 151.2° | 100.1° |
| C48 | C47 | H49 | H50 | 122.4° | 121.8° |
| C47 | C48 | H51 | H52 | 122.9° | 121.9° |
| C47 | C48 | C49 | H54 | 98.0° | 121.4° |
| C47 | C48 | C49 | H53 | 141.1° | 118.3° |
| N11 | C69 | C12 | O2 | 61.3° | 19.3° |
| N11 | C69 | C12 | C32 | 126.2° | 119.8° |
| N11 | C69 | C12 | H82 | 117.9° | 119.9° |
| N11 | C69 | C32 | H82 | 118.7° | 120.2° |
| N11 | C69 | C32 | C43 | 173.9° | 177.9° |
| C69 | N11 | C22 | H27 | 0.9° | 4.8° |
| C69 | N11 | C22 | H26 | 119.1° | 124.8° |
| C69 | N11 | C22 | H28 | 120.9° | 115.2° |
| N11 | C69 | C32 | H38 | 52.9° | 62.1° |
| N11 | C69 | C32 | H37 | 65.0° | 57.9° |
| C22 | N11 | C69 | C12 | 113.5° | 59.4° |
| C22 | N11 | C69 | C32 | 10.8° | 179.3° |
| N11 | C22 | H27 | H26 | 120.0° | 120.0° |
| N11 | C22 | H27 | H28 | 120.0° | 120.0° |
| N11 | C22 | H26 | H28 | 120.0° | 120.0° |
| C22 | N11 | C69 | H82 | 129.0° | 60.5° |
| N3 | C26 | C28 | H32 | 180.0° | 180.0° |
| N3 | C26 | C28 | C29 | 0.0° | 0.0° |
| N3 | C26 | C28 | H34 | 179.9° | 179.9° |
| O2 | C12 | C69 | C32 | 64.9° | 100.5° |
| O2 | C12 | C69 | H82 | 179.2° | 139.3° |
| C12 | C69 | C32 | H82 | 116.0° | 120.2° |
| C12 | C69 | C32 | C43 | 60.7° | 62.5° |
| C12 | C69 | C32 | H38 | 178.3° | 57.5° |
| C12 | C69 | C32 | H37 | 60.3° | 177.5° |
| C30 | C29 | C28 | C26 | 0.1° | 0.0° |
| C30 | C29 | C28 | H35 | 180.0° | 179.9° |
| C30 | C29 | C28 | H34 | 179.9° | 179.9° |
| C29 | C30 | O9 | H15 | 178.4° | 85.0° |
| C44 | C45 | N8 | H47 | 122.7° | 119.2° |
| C44 | C45 | N8 | C52 | 79.6° | 42.7° |
| C44 | C45 | N8 | C49 | 99.9° | 141.0° |
| C44 | C45 | C47 | H49 | 152.7° | 100.2° |
| C44 | C45 | C47 | H50 | 31.1° | 21.5° |
| N8 | C45 | C44 | O12 | 7.1° | 88.8° |
| C45 | N8 | C49 | C48 | 0.8° | 12.3° |
| C45 | N8 | C52 | O13 | 6.2° | 31.1° |
| C45 | N8 | C52 | C49 | 179.4° | 175.7° |
| C45 | N8 | C52 | C61 | 173.4° | 148.9° |
| N8 | C45 | C47 | H49 | 83.6° | 136.0° |
| N8 | C45 | C47 | H50 | 154.7° | 102.3° |
| C45 | N8 | C49 | H54 | 120.4° | 132.2° |
| C45 | N8 | C49 | H53 | 118.7° | 107.6° |
| C7 | C8 | C9 | H11 | 118.5° | 121.0° |
| C8 | C7 | C6 | H8 | 178.0° | 64.4° |
| C8 | C7 | C6 | H7 | 61.3° | 175.2° |
| C8 | C7 | H9 | H10 | 118.4° | 118.6° |
| C7 | C8 | O4 | H6 | 102.8° | 60.0° |
| C7 | C8 | C9 | H12 | 167.9° | 166.3° |
| C7 | C8 | C9 | H13 | 74.1° | 74.3° |
| O12 | C44 | C45 | H47 | 130.1° | 152.2° |
| C9 | C8 | C7 | H9 | 69.7° | 109.6° |
| C9 | C8 | C7 | H10 | 171.3° | 132.0° |
| C8 | C9 | C3 | H5 | 165.5° | 61.4° |
| C9 | C8 | O4 | H6 | 18.0° | 176.5° |
| C8 | C9 | H12 | H13 | 116.8° | 119.6° |
| C35 | C37 | N9 | O10 | 179.8° | 180.0° |
| C35 | C37 | N9 | C55 | 176.5° | 160.0° |
| C35 | C37 | N9 | H14 | 3.5° | 19.9° |
| C37 | C35 | C36 | H41 | 5.3° | 4.6° |
| C69 | C32 | C43 | H38 | 121.0° | 120.0° |
| C69 | C32 | C43 | H37 | 121.0° | 120.0° |
| C69 | C32 | C43 | C54 | 91.2° | 80.8° |
| C69 | C32 | C43 | C2 | 82.4° | 99.2° |
| C69 | C32 | H38 | H37 | 116.8° | 120.0° |
| C48 | C49 | N8 | C52 | 179.7° | 171.5° |
| C48 | C49 | N8 | H54 | 119.6° | 119.9° |
| C48 | C49 | N8 | H53 | 119.6° | 119.8° |
| C49 | C48 | C47 | H49 | 84.0° | 128.4° |
| C49 | C48 | C47 | H50 | 154.4° | 109.9° |
| C49 | C48 | H51 | H52 | 123.0° | 121.7° |
| C48 | C49 | H54 | H53 | 121.3° | 120.4° |
| C26 | C28 | C29 | H34 | 180.0° | 180.0° |
| C26 | C28 | C29 | H35 | 179.9° | 180.0° |
| O13 | C52 | N8 | C61 | 179.6° | 180.0° |
| O13 | C52 | N8 | C49 | 174.5° | 153.2° |
| O13 | C52 | C61 | C64 | 13.9° | 173.4° |
| O13 | C52 | C61 | N7 | 159.1° | 8.1° |
| N8 | C52 | C61 | C64 | 166.5° | 6.7° |
| N8 | C52 | C61 | N7 | 20.5° | 171.8° |
| C52 | N8 | C45 | H47 | 43.1° | 76.5° |
| C52 | N8 | C49 | H54 | 60.2° | 51.5° |
| C52 | N8 | C49 | H53 | 60.7° | 68.7° |
| C49 | N8 | C52 | C61 | 5.9° | 26.8° |
| C49 | N8 | C45 | H47 | 137.4° | 99.8° |
| N8 | C49 | C48 | H51 | 140.5° | 120.6° |
| N8 | C49 | C48 | H52 | 97.4° | 117.6° |
| N8 | C49 | H54 | H53 | 121.3° | 120.3° |
| C29 | C28 | C26 | H32 | 180.0° | 180.0° |
| C37 | N9 | C55 | H14 | 180.0° | 179.9° |
| C37 | N9 | C55 | C56 | 118.8° | 64.3° |
| N9 | C37 | C35 | H40 | 156.4° | 5.0° |
| C37 | N9 | C55 | H63 | 120.6° | 176.2° |
| C37 | N9 | C55 | H64 | 1.9° | 55.0° |
| C55 | N9 | C37 | O10 | 3.3° | 20.1° |
| N9 | C55 | C56 | H63 | 120.6° | 119.4° |
| N9 | C55 | C56 | H64 | 120.7° | 119.3° |
| N9 | C55 | C56 | C46 | 118.9° | 179.6° |
| N9 | C55 | H63 | H64 | 118.0° | 121.1° |
| N9 | C55 | C56 | H65 | 61.0° | 0.2° |
| O10 | C37 | N9 | H14 | 176.8° | 160.0° |
| O10 | C37 | C35 | H40 | 23.4° | 175.0° |
| C52 | C61 | C64 | N7 | 174.0° | 178.7° |
| C52 | C61 | C64 | O15 | 176.1° | 178.7° |
| C52 | C61 | N7 | C67 | 176.9° | 178.5° |
| C52 | C61 | C64 | H76 | 3.9° | 1.3° |
| C32 | C43 | C54 | C2 | 173.6° | 180.0° |
| C32 | C43 | C54 | C65 | 176.2° | 180.0° |
| C32 | C43 | C2 | C71 | 176.5° | 179.9° |
| C32 | C43 | C2 | H3 | 3.6° | 0.3° |
| C43 | C32 | H38 | H37 | 116.8° | 120.0° |
| C32 | C43 | C54 | H62 | 3.8° | 0.0° |
| C43 | C32 | C69 | H82 | 55.3° | 57.7° |
| C55 | C56 | C46 | H65 | 180.0° | 179.4° |
| C55 | C56 | C46 | C58 | 174.6° | 179.9° |
| C56 | C55 | N9 | H14 | 61.3° | 115.6° |
| C55 | C56 | C46 | H48 | 5.4° | 4.1° |
| C56 | C55 | H63 | H64 | 118.0° | 121.2° |
| C43 | C54 | C65 | H62 | 180.0° | 180.0° |
| C54 | C43 | C2 | C71 | 2.8° | 0.0° |
| C43 | C54 | C65 | C70 | 1.0° | 0.0° |
| C54 | C43 | C2 | H3 | 177.2° | 179.7° |
| C54 | C43 | C32 | H38 | 147.8° | 159.2° |
| C54 | C43 | C32 | H37 | 29.8° | 39.2° |
| C43 | C54 | C65 | H77 | 179.0° | 179.9° |
| C2 | C43 | C54 | C65 | 2.6° | 0.0° |
| C43 | C2 | C71 | H3 | 180.0° | 179.7° |
| C43 | C2 | C71 | C70 | 1.4° | 0.1° |
| C2 | C43 | C32 | H38 | 38.6° | 20.8° |
| C2 | C43 | C32 | H37 | 156.6° | 140.8° |
| C2 | C43 | C54 | H62 | 177.4° | 180.0° |
| C43 | C2 | C71 | H84 | 178.6° | 179.7° |
| C54 | C65 | C70 | H77 | 180.0° | 179.9° |
| C54 | C65 | C70 | C71 | 0.4° | 0.0° |
| C54 | C65 | C70 | H83 | 179.6° | 179.9° |
| C61 | C64 | O15 | H76 | 180.0° | 180.0° |
| C64 | C61 | N7 | C67 | 2.9° | 0.3° |
| C61 | C64 | O15 | C67 | 0.5° | 0.2° |
| N7 | C61 | C64 | O15 | 2.1° | 0.0° |
| C61 | N7 | C67 | O15 | 2.8° | 0.5° |
| C61 | N7 | C67 | C39 | 179.8° | 179.3° |
| N7 | C61 | C64 | H76 | 177.9° | 180.0° |
| C56 | C46 | C58 | C63 | 1.9° | 135.3° |
| C56 | C46 | C58 | H48 | 180.0° | 175.9° |
| C56 | C46 | C58 | C59 | 177.9° | 43.6° |
| C46 | C56 | C55 | H63 | 120.4° | 60.1° |
| C46 | C56 | C55 | H64 | 1.7° | 61.1° |
| C2 | C71 | C70 | C65 | 0.2° | 0.0° |
| C2 | C71 | C70 | H84 | 180.0° | 179.8° |
| C2 | C71 | C70 | H83 | 179.8° | 179.9° |
| C65 | C70 | C71 | H83 | 180.0° | 179.9° |
| C70 | C65 | C54 | H62 | 179.0° | 180.0° |
| C65 | C70 | C71 | H84 | 179.8° | 179.7° |
| C64 | O15 | C67 | N7 | 1.4° | 0.5° |
| C64 | O15 | C67 | C39 | 179.0° | 179.3° |
| C70 | C71 | C2 | H3 | 178.6° | 179.7° |
| C71 | C70 | C65 | H77 | 179.6° | 179.9° |
| N7 | C67 | O15 | C39 | 177.6° | 179.8° |
| N7 | C67 | C39 | C42 | 24.1° | 13.2° |
| N7 | C67 | C39 | H43 | 96.3° | 133.5° |
| N7 | C67 | C39 | H42 | 144.5° | 107.0° |
| C63 | C58 | C46 | C59 | 179.8° | 178.9° |
| C63 | C58 | C59 | C60 | 1.3° | 0.6° |
| C63 | C58 | C46 | H48 | 178.1° | 40.6° |
| C63 | C58 | C59 | H69 | 178.7° | 179.8° |
| C58 | C63 | H74 | H73 | 120.0° | 120.0° |
| C58 | C63 | H74 | H75 | 120.0° | 120.0° |
| C58 | C63 | H73 | H75 | 120.0° | 120.1° |
| C46 | C58 | C59 | C60 | 178.9° | 179.5° |
| C58 | C46 | C56 | H65 | 5.4° | 0.7° |
| C46 | C58 | C59 | H69 | 1.0° | 0.9° |
| C46 | C58 | C63 | H74 | 180.0° | 2.4° |
| C46 | C58 | C63 | H73 | 60.0° | 122.4° |
| C46 | C58 | C63 | H75 | 60.0° | 117.5° |
| O15 | C67 | C39 | C42 | 158.6° | 167.0° |
| O15 | C67 | C39 | H43 | 81.0° | 46.8° |
| O15 | C67 | C39 | H42 | 38.2° | 72.8° |
| C67 | O15 | C64 | H76 | 179.5° | 179.8° |
| C58 | C59 | C60 | H69 | 180.0° | 179.7° |
| C58 | C59 | C60 | C51 | 101.7° | 171.9° |
| C58 | C59 | C60 | O14 | 139.7° | 51.7° |
| C59 | C58 | C46 | H48 | 2.1° | 140.5° |
| C58 | C59 | C60 | H70 | 20.1° | 67.8° |
| C59 | C58 | C63 | H74 | 0.3° | 178.6° |
| C59 | C58 | C63 | H73 | 119.8° | 58.6° |
| C59 | C58 | C63 | H75 | 120.3° | 61.4° |
| C67 | C39 | C42 | F1 | 80.2° | 148.1° |
| C67 | C39 | C42 | H43 | 120.4° | 120.3° |
| C67 | C39 | C42 | H42 | 120.4° | 120.2° |
| C67 | C39 | C42 | C51 | 154.2° | 91.7° |
| C67 | C39 | H43 | H42 | 118.8° | 119.5° |
| C67 | C39 | C42 | H46 | 37.5° | 28.5° |
| F1 | C42 | C39 | C51 | 125.6° | 120.2° |
| F1 | C42 | C39 | H46 | 117.7° | 119.5° |
| F1 | C42 | C51 | H46 | 117.9° | 119.5° |
| F1 | C42 | C51 | C60 | 64.2° | 38.0° |
| F1 | C42 | C39 | H43 | 159.4° | 27.8° |
| F1 | C42 | C39 | H42 | 40.2° | 91.7° |
| F1 | C42 | C51 | H57 | 175.4° | 157.9° |
| F1 | C42 | C51 | H58 | 56.2° | 81.9° |
| C39 | C42 | C51 | H46 | 116.6° | 120.2° |
| C39 | C42 | C51 | C60 | 170.3° | 158.3° |
| C42 | C39 | H43 | H42 | 118.8° | 119.4° |
| C39 | C42 | C51 | H57 | 49.8° | 81.8° |
| C39 | C42 | C51 | H58 | 69.3° | 38.3° |
| C42 | C51 | C60 | C59 | 68.5° | 130.8° |
| C42 | C51 | C60 | H57 | 120.4° | 119.9° |
| C42 | C51 | C60 | H58 | 120.4° | 119.9° |
| C42 | C51 | C60 | O14 | 173.1° | 108.9° |
| C51 | C42 | C39 | H43 | 33.8° | 148.0° |
| C51 | C42 | C39 | H42 | 85.5° | 28.6° |
| C42 | C51 | H57 | H58 | 118.7° | 120.2° |
| C42 | C51 | C60 | H70 | 53.4° | 10.6° |
| C59 | C60 | C51 | O14 | 118.4° | 120.2° |
| C59 | C60 | C51 | H70 | 121.9° | 120.3° |
| C59 | C60 | O14 | H70 | 118.5° | 119.5° |
| C59 | C60 | O14 | H19 | 180.0° | 174.9° |
| C59 | C60 | C51 | H57 | 52.0° | 11.0° |
| C59 | C60 | C51 | H58 | 171.1° | 109.3° |
| C51 | C60 | O14 | H70 | 118.5° | 119.5° |
| C51 | C60 | O14 | H19 | 57.0° | 64.1° |
| C60 | C51 | C42 | H46 | 53.7° | 81.5° |
| C60 | C51 | H57 | H58 | 118.7° | 120.4° |
| C51 | C60 | C59 | H69 | 78.3° | 7.7° |
| O14 | C60 | C51 | H57 | 66.5° | 131.2° |
| O14 | C60 | C51 | H58 | 52.7° | 10.9° |
| O14 | C60 | C59 | H69 | 40.3° | 128.0° |
| H2 | N1 | C1 | H1 | 165.3° | 16.9° |
| H8 | C6 | C7 | H9 | 57.5° | 175.0° |
| H8 | C6 | C7 | H10 | 61.5° | 56.5° |
| H7 | C6 | C7 | H9 | 178.2° | 54.6° |
| H7 | C6 | C7 | H10 | 59.2° | 63.8° |
| H9 | C7 | C8 | H11 | 48.7° | 11.4° |
| H10 | C7 | C8 | H11 | 70.3° | 107.0° |
| H11 | C8 | O4 | H6 | 138.1° | 58.3° |
| H11 | C8 | C9 | H12 | 73.6° | 45.3° |
| H11 | C8 | C9 | H13 | 44.4° | 164.8° |
| H16 | C10 | N13 | H17 | 133.6° | 58.6° |
| H20 | C15 | C14 | H18 | 0.6° | 0.4° |
| H20 | C15 | C16 | H21 | 0.1° | 0.3° |
| H22 | C17 | C16 | H21 | 0.6° | 0.4° |
| H22 | C17 | C18 | H23 | 0.4° | 0.1° |
| H25 | C20 | N2 | H4 | 159.8° | 144.4° |
| H25 | C20 | C19 | H24 | 54.8° | 58.2° |
| H27 | C22 | H26 | H28 | 119.9° | 120.1° |
| H32 | C26 | C28 | H34 | 0.0° | 0.1° |
| H34 | C28 | C29 | H35 | 0.1° | 0.0° |
| H1 | C1 | C72 | H86 | 177.4° | 174.1° |
| H1 | C1 | C72 | H85 | 58.8° | 66.0° |
| H3 | C2 | C71 | H84 | 1.4° | 0.0° |
| H5 | C3 | C9 | H12 | 73.5° | 58.8° |
| H5 | C3 | C9 | H13 | 44.5° | 178.3° |
| H14 | N9 | C55 | H63 | 59.4° | 3.9° |
| H14 | N9 | C55 | H64 | 178.1° | 125.1° |
| H19 | O14 | C60 | H70 | 61.5° | 55.4° |
| H24 | C19 | C23 | H30 | 60.5° | 158.0° |
| H24 | C19 | C23 | H29 | 59.5° | 38.0° |
| H24 | C19 | C23 | H31 | 179.5° | 82.0° |
| H30 | C23 | H29 | H31 | 119.9° | 120.0° |
| H33 | C27 | C50 | H56 | 27.2° | 118.0° |
| H33 | C27 | C50 | H55 | 148.6° | 3.6° |
| H38 | C32 | C69 | H82 | 65.7° | 177.7° |
| H37 | C32 | C69 | H82 | 176.3° | 62.3° |
| H39 | C34 | C41 | H45 | 38.8° | 179.0° |
| H39 | C34 | C53 | H61 | 67.3° | 175.7° |
| H39 | C34 | C53 | H60 | 172.7° | 64.3° |
| H39 | C34 | C53 | H59 | 52.7° | 55.7° |
| H39 | C34 | C57 | H67 | 67.3° | 60.0° |
| H39 | C34 | C57 | H66 | 52.8° | 59.9° |
| H39 | C34 | C57 | H68 | 172.7° | 180.0° |
| H40 | C35 | C36 | H41 | 174.7° | 176.6° |
| H41 | C36 | C40 | H44 | 168.9° | 143.5° |
| H43 | C39 | C42 | H46 | 82.9° | 91.7° |
| H42 | C39 | C42 | H46 | 157.9° | 148.8° |
| H44 | C40 | C41 | H45 | 59.9° | 79.6° |
| H44 | C40 | C66 | H78 | 62.9° | 67.3° |
| H44 | C40 | C66 | H79 | 179.0° | 172.7° |
| H46 | C42 | C51 | H57 | 66.7° | 38.4° |
| H46 | C42 | C51 | H58 | 174.1° | 158.6° |
| H47 | C45 | C47 | H49 | 32.0° | 19.1° |
| H47 | C45 | C47 | H50 | 89.6° | 140.8° |
| H48 | C46 | C56 | H65 | 174.6° | 175.3° |
| H49 | C47 | C48 | H51 | 35.0° | 9.3° |
| H49 | C47 | C48 | H52 | 157.0° | 112.6° |
| H50 | C47 | C48 | H51 | 86.6° | 131.0° |
| H50 | C47 | C48 | H52 | 35.4° | 9.1° |
| H51 | C48 | C49 | H54 | 21.0° | 119.5° |
| H51 | C48 | C49 | H53 | 99.9° | 0.8° |
| H52 | C48 | C49 | H54 | 143.0° | 2.3° |
| H52 | C48 | C49 | H53 | 22.1° | 122.6° |
| H56 | C50 | C62 | H72 | 35.5° | 13.8° |
| H56 | C50 | C62 | H71 | 86.7° | 108.4° |
| H55 | C50 | C62 | H72 | 156.9° | 135.4° |
| H55 | C50 | C62 | H71 | 34.8° | 13.2° |
| H57 | C51 | C60 | H70 | 173.9° | 109.3° |
| H58 | C51 | C60 | H70 | 67.0° | 130.4° |
| H61 | C53 | H60 | H59 | 120.0° | 120.0° |
| H62 | C54 | C65 | H77 | 1.0° | 0.1° |
| H63 | C55 | C56 | H65 | 59.6° | 119.3° |
| H64 | C55 | C56 | H65 | 178.3° | 119.5° |
| H67 | C57 | H66 | H68 | 120.0° | 120.0° |
| H69 | C59 | C60 | H70 | 159.9° | 112.5° |
| H72 | C62 | C68 | H81 | 153.6° | 140.8° |
| H72 | C62 | C68 | H80 | 32.2° | 19.9° |
| H71 | C62 | C68 | H81 | 31.5° | 18.6° |
| H71 | C62 | C68 | H80 | 89.9° | 102.3° |
| H74 | C63 | H73 | H75 | 120.0° | 119.9° |
| H77 | C65 | C70 | H83 | 0.4° | 0.0° |
| H83 | C70 | C71 | H84 | 0.2° | 0.4° |
| H86 | C72 | C73 | H88 | 101.8° | 177.6° |
| H86 | C72 | C73 | H87 | 139.7° | 57.6° |
| H85 | C72 | C73 | H88 | 16.8° | 62.4° |
| H85 | C72 | C73 | H87 | 101.7° | 177.6° |
| H88 | C73 | C74 | H90 | 177.1° | 65.8° |
| H88 | C73 | C74 | H89 | 63.9° | 174.2° |
| H87 | C73 | C74 | H90 | 64.4° | 174.1° |
| H87 | C73 | C74 | H89 | 54.6° | 54.1° |
