PRD_000203
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.45Å | |
| C8 | C9 | sing | 1.50Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| CL1 | C14 | sing | 1.74Å | 1.73Å | |
| C10 | O3 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.50Å | 1.49Å | |
| C11 | C12 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C14 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | O4 | sing | 1.37Å | 1.39Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | C17 | sing | 1.45Å | 1.46Å | |
| N3 | H22 | sing | 0.98Å | 1.00Å | |
| C17 | C18 | sing | 1.50Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H23 | sing | 1.10Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | C21 | sing | 1.46Å | 1.46Å | |
| N5 | H28 | sing | 0.98Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | C23 | sing | 1.51Å | 1.52Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.22Å | |
| C23 | C24 | doub | 1.39Å | 1.43Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.46Å | Aromatic |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C26 | O8 | sing | 1.36Å | 1.38Å | |
| C26 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.46Å | Aromatic |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | C29 | sing | 1.46Å | 1.45Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.52Å | 1.54Å | |
| C29 | C31 | sing | 1.51Å | 1.50Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | doub | 1.39Å | 1.43Å | Aromatic |
| C31 | C36 | sing | 1.37Å | 1.44Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.41Å | 1.43Å | Aromatic |
| C34 | O10 | sing | 1.36Å | 1.38Å | |
| C34 | C35 | sing | 1.39Å | 1.45Å | Aromatic |
| O10 | H35 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| N7 | C37 | sing | 1.45Å | 1.46Å | |
| O11 | C40 | sing | 1.37Å | 1.40Å | |
| C40 | C38 | sing | 1.39Å | 1.44Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.43Å | Aromatic |
| C38 | C42 | doub | 1.37Å | 1.45Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.44Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.44Å | Aromatic |
| C41 | C44 | sing | 1.50Å | 1.51Å | |
| C43 | C39 | sing | 1.38Å | 1.43Å | Aromatic |
| C39 | CL2 | sing | 1.73Å | 1.73Å | |
| C45 | O12 | doub | 1.22Å | 1.23Å | |
| C45 | C37 | sing | 1.51Å | 1.54Å | |
| C37 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | O13 | sing | 1.43Å | 1.41Å | |
| N7 | H38 | sing | 0.99Å | 1.00Å | |
| C37 | H39 | sing | 1.11Å | 1.10Å | |
| C38 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H42 | sing | 1.08Å | 1.08Å | |
| C44 | H43 | sing | 1.10Å | 1.10Å | |
| N8 | C52 | sing | 1.44Å | 1.44Å | |
| O14 | C46 | sing | 1.36Å | 1.38Å | |
| C46 | C47 | sing | 1.40Å | 1.43Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.43Å | Aromatic |
| C47 | C51 | doub | 1.40Å | 1.45Å | Aromatic |
| C48 | C49 | sing | 1.39Å | 1.43Å | Aromatic |
| C49 | O15 | sing | 1.36Å | 1.38Å | |
| C49 | C50 | doub | 1.39Å | 1.43Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.45Å | Aromatic |
| C51 | C52 | sing | 1.50Å | 1.54Å | |
| C52 | C53 | sing | 1.51Å | 1.54Å | |
| C53 | O16 | doub | 1.21Å | 1.23Å | |
| C53 | O17 | sing | 1.34Å | 1.24Å | |
| N8 | H44 | sing | 0.99Å | 1.00Å | |
| C52 | H45 | sing | 1.11Å | 1.10Å | |
| O14 | H46 | sing | 0.97Å | 0.95Å | |
| C48 | H47 | sing | 1.08Å | 1.08Å | |
| O15 | H48 | sing | 0.97Å | 0.95Å | |
| C50 | H49 | sing | 1.08Å | 1.08Å | |
| O17 | H50 | sing | 0.97Å | 0.95Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C54 | C59 | sing | 1.53Å | 1.53Å | |
| C54 | O18 | sing | 1.43Å | 1.41Å | |
| C54 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | O19 | sing | 1.43Å | 1.41Å | |
| C55 | H52 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | O20 | sing | 1.43Å | 1.41Å | |
| C56 | H53 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | O21 | sing | 1.43Å | 1.41Å | |
| C57 | H54 | sing | 1.09Å | 1.10Å | |
| C58 | O22 | sing | 1.43Å | 1.40Å | |
| C58 | H55 | sing | 1.09Å | 1.10Å | |
| C58 | H56 | sing | 1.09Å | 1.10Å | |
| C59 | O21 | sing | 1.43Å | 1.41Å | |
| C59 | H57 | sing | 1.09Å | 1.10Å | |
| O19 | H58 | sing | 0.97Å | 0.95Å | |
| O20 | H59 | sing | 0.97Å | 0.95Å | |
| O22 | H60 | sing | 0.97Å | 0.95Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | O24 | sing | 1.43Å | 1.41Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C62 | N9 | sing | 1.47Å | 1.46Å | |
| C62 | C63 | sing | 1.53Å | 1.53Å | |
| C62 | C64 | sing | 1.53Å | 1.53Å | |
| C64 | O23 | sing | 1.43Å | 1.41Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C65 | O24 | sing | 1.43Å | 1.41Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C60 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å | |
| N9 | H64 | sing | 1.01Å | 1.00Å | |
| N9 | H65 | sing | 1.01Å | 1.00Å | |
| C63 | H66 | sing | 1.09Å | 1.10Å | |
| C63 | H67 | sing | 1.09Å | 1.10Å | |
| C63 | H68 | sing | 1.09Å | 1.10Å | |
| C64 | H69 | sing | 1.09Å | 1.10Å | |
| O23 | H70 | sing | 0.97Å | 0.95Å | |
| C65 | H71 | sing | 1.09Å | 1.10Å | |
| C66 | H72 | sing | 1.09Å | 1.10Å | |
| C66 | H73 | sing | 1.09Å | 1.10Å | |
| C66 | H74 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.53Å | 1.54Å | |
| C67 | O26 | sing | 1.43Å | 1.41Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C69 | N10 | sing | 1.47Å | 1.46Å | |
| C69 | C70 | sing | 1.53Å | 1.53Å | |
| C69 | C71 | sing | 1.53Å | 1.52Å | |
| C71 | O25 | sing | 1.43Å | 1.40Å | |
| C71 | C72 | sing | 1.53Å | 1.52Å | |
| C72 | O26 | sing | 1.43Å | 1.40Å | |
| C72 | C73 | sing | 1.53Å | 1.53Å | |
| C67 | H75 | sing | 1.09Å | 1.10Å | |
| C68 | H76 | sing | 1.09Å | 1.10Å | |
| C68 | H77 | sing | 1.09Å | 1.10Å | |
| N10 | H78 | sing | 1.01Å | 1.00Å | |
| N10 | H79 | sing | 1.01Å | 1.00Å | |
| C70 | H80 | sing | 1.09Å | 1.10Å | |
| C70 | H81 | sing | 1.09Å | 1.10Å | |
| C70 | H82 | sing | 1.09Å | 1.10Å | |
| C71 | H83 | sing | 1.09Å | 1.10Å | |
| O25 | H84 | sing | 0.97Å | 0.95Å | |
| C72 | H85 | sing | 1.09Å | 1.10Å | |
| C73 | H86 | sing | 1.09Å | 1.10Å | |
| C73 | H87 | sing | 1.09Å | 1.10Å | |
| C73 | H88 | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.34Å | 1.36Å | |
| O4 | C27 | sing | 1.37Å | 1.42Å | |
| C18 | N5 | sing | 1.35Å | 1.35Å | |
| C22 | N6 | sing | 1.34Å | 1.35Å | |
| C25 | O11 | sing | 1.37Å | 1.42Å | |
| C33 | C47 | sing | 1.48Å | 1.49Å | |
| C30 | N7 | sing | 1.34Å | 1.36Å | |
| C45 | N8 | sing | 1.34Å | 1.35Å | |
| O8 | C59 | sing | 1.43Å | 1.41Å | |
| O13 | C67 | sing | 1.43Å | 1.41Å | |
| O18 | C60 | sing | 1.43Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 110.3° | 111.0° |
| C1 | N1 | H1 | 109.3° | 111.0° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H4 | 109.5° | 109.4° |
| N1 | C2 | C3 | 110.6° | 109.5° |
| N1 | C2 | C4 | 112.0° | 109.5° |
| C2 | N1 | H1 | 109.3° | 111.0° |
| N1 | C2 | H5 | 109.2° | 109.5° |
| C3 | C2 | C4 | 108.2° | 109.5° |
| C2 | C3 | O1 | 121.5° | 120.0° |
| C3 | C2 | H5 | 108.3° | 109.4° |
| C2 | C3 | N2 | 113.8° | 120.0° |
| C2 | C4 | C5 | 112.7° | 109.4° |
| C4 | C2 | H5 | 108.4° | 109.5° |
| C2 | C4 | H6 | 108.7° | 109.5° |
| C2 | C4 | H7 | 108.7° | 109.5° |
| O1 | C3 | N2 | 124.7° | 120.0° |
| C4 | C5 | C6 | 111.2° | 109.5° |
| C4 | C5 | C7 | 110.1° | 109.5° |
| C5 | C4 | H6 | 108.7° | 109.5° |
| C5 | C4 | H7 | 108.7° | 109.5° |
| C4 | C5 | H8 | 108.4° | 109.5° |
| C6 | C5 | C7 | 110.4° | 109.4° |
| C6 | C5 | H8 | 108.3° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.5° | 109.4° |
| C7 | C5 | H8 | 108.3° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C5 | C7 | H14 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| N2 | C8 | C9 | 110.3° | 109.3° |
| N2 | C8 | C10 | 110.9° | 109.3° |
| C8 | N2 | H15 | 121.3° | 120.0° |
| N2 | C8 | H16 | 107.9° | 109.2° |
| C8 | N2 | C3 | 117.5° | 120.0° |
| C9 | C8 | C10 | 113.9° | 111.7° |
| C8 | C9 | O2 | 120.1° | 118.9° |
| C9 | C8 | H16 | 106.8° | 108.8° |
| C8 | C9 | N3 | 116.7° | 120.6° |
| C8 | C10 | O3 | 109.8° | 109.7° |
| C8 | C10 | C11 | 110.7° | 109.0° |
| C10 | C8 | H16 | 106.8° | 108.5° |
| C8 | C10 | H17 | 108.3° | 109.5° |
| O2 | C9 | N3 | 123.2° | 120.5° |
| CL1 | C14 | C12 | 119.5° | 119.0° |
| CL1 | C14 | C16 | 119.4° | 121.0° |
| O3 | C10 | C11 | 109.0° | 110.0° |
| O3 | C10 | H17 | 110.1° | 109.2° |
| C10 | O3 | H18 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C10 | C11 | C13 | 120.2° | 120.0° |
| C11 | C10 | H17 | 108.9° | 109.4° |
| C12 | C11 | C13 | 120.0° | 120.0° |
| C11 | C12 | C14 | 119.3° | 119.8° |
| C11 | C12 | H19 | 120.3° | 120.8° |
| C11 | C13 | C15 | 120.1° | 120.4° |
| C11 | C13 | H20 | 120.0° | 119.7° |
| C12 | C14 | C16 | 121.1° | 120.0° |
| C14 | C12 | H19 | 120.4° | 119.4° |
| C13 | C15 | C16 | 119.7° | 119.5° |
| C15 | C13 | H20 | 119.9° | 119.8° |
| C13 | C15 | H21 | 120.2° | 120.3° |
| C14 | C16 | C15 | 119.6° | 120.2° |
| C14 | C16 | O4 | 118.7° | 118.5° |
| C15 | C16 | O4 | 121.4° | 121.3° |
| C16 | C15 | H21 | 120.1° | 120.3° |
| C16 | O4 | C27 | 117.7° | 108.4° |
| H15 | N2 | C3 | 121.3° | 120.0° |
| C17 | N3 | H22 | 122.4° | 117.8° |
| N3 | C17 | C18 | 113.9° | 113.5° |
| N3 | C17 | C19 | 108.7° | 110.2° |
| N3 | C17 | H23 | 109.1° | 108.2° |
| C17 | N3 | C9 | 115.2° | 124.9° |
| H22 | N3 | C9 | 122.4° | 117.2° |
| C18 | C17 | C19 | 108.7° | 109.5° |
| C18 | C17 | H23 | 108.1° | 107.6° |
| C17 | C18 | O5 | 121.8° | 120.1° |
| C17 | C18 | N5 | 113.4° | 119.3° |
| C19 | C17 | H23 | 108.2° | 107.7° |
| C17 | C19 | C20 | 110.4° | 109.5° |
| C17 | C19 | H24 | 109.2° | 109.4° |
| C17 | C19 | H25 | 109.2° | 109.4° |
| O5 | C18 | N5 | 124.8° | 120.6° |
| C20 | C19 | H24 | 109.2° | 109.5° |
| C20 | C19 | H25 | 109.2° | 109.5° |
| C19 | C20 | O6 | 122.1° | 120.0° |
| C19 | C20 | N4 | 112.7° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| O6 | C20 | N4 | 125.3° | 120.0° |
| C20 | N4 | H26 | 120.0° | 120.0° |
| C20 | N4 | H27 | 120.0° | 120.1° |
| H26 | N4 | H27 | 120.0° | 120.0° |
| C21 | N5 | H28 | 121.2° | 119.3° |
| N5 | C21 | C22 | 110.3° | 108.6° |
| N5 | C21 | C23 | 114.5° | 110.0° |
| N5 | C21 | H29 | 107.9° | 109.5° |
| C21 | N5 | C18 | 117.7° | 122.0° |
| H28 | N5 | C18 | 121.2° | 118.7° |
| C22 | C21 | C23 | 109.5° | 109.6° |
| C22 | C21 | H29 | 107.0° | 109.2° |
| C21 | C22 | O7 | 122.6° | 119.2° |
| C21 | C22 | N6 | 111.8° | 122.4° |
| C23 | C21 | H29 | 107.3° | 109.9° |
| C21 | C23 | C24 | 121.1° | 119.6° |
| C21 | C23 | C28 | 121.0° | 121.0° |
| O7 | C22 | N6 | 125.7° | 118.5° |
| C24 | C23 | C28 | 117.9° | 119.3° |
| C23 | C24 | C25 | 122.7° | 119.9° |
| C23 | C24 | H30 | 118.6° | 119.8° |
| C23 | C28 | C27 | 122.2° | 120.4° |
| C23 | C28 | H31 | 118.9° | 120.0° |
| C25 | C24 | H30 | 118.7° | 120.3° |
| C24 | C25 | C26 | 117.4° | 121.2° |
| C24 | C25 | O11 | 125.0° | 118.8° |
| C25 | C26 | O8 | 121.3° | 120.7° |
| C25 | C26 | C27 | 121.8° | 118.2° |
| C26 | C25 | O11 | 117.7° | 119.9° |
| O8 | C26 | C27 | 116.8° | 121.1° |
| C26 | O8 | C59 | 113.1° | 117.0° |
| C26 | C27 | C28 | 118.0° | 120.7° |
| C26 | C27 | O4 | 115.3° | 120.0° |
| C27 | C28 | H31 | 118.9° | 119.6° |
| C28 | C27 | O4 | 126.7° | 119.3° |
| C29 | N6 | H32 | 120.3° | 120.2° |
| N6 | C29 | C30 | 111.3° | 110.9° |
| N6 | C29 | C31 | 118.0° | 111.3° |
| N6 | C29 | H33 | 106.6° | 110.9° |
| C29 | N6 | C22 | 119.4° | 120.3° |
| H32 | N6 | C22 | 120.3° | 119.5° |
| C30 | C29 | C31 | 108.4° | 104.1° |
| C30 | C29 | H33 | 105.6° | 109.4° |
| C29 | C30 | O9 | 119.1° | 118.7° |
| C29 | C30 | N7 | 118.7° | 118.7° |
| C31 | C29 | H33 | 106.1° | 109.9° |
| C29 | C31 | C32 | 116.6° | 117.4° |
| C29 | C31 | C36 | 124.2° | 122.2° |
| O9 | C30 | N7 | 122.2° | 122.6° |
| C32 | C31 | C36 | 118.9° | 120.4° |
| C31 | C32 | C33 | 122.4° | 121.3° |
| C31 | C32 | H34 | 118.8° | 118.0° |
| C31 | C36 | C35 | 119.8° | 119.3° |
| C31 | C36 | H37 | 120.1° | 120.8° |
| C33 | C32 | H34 | 118.8° | 120.5° |
| C32 | C33 | C34 | 119.0° | 117.6° |
| C32 | C33 | C47 | 117.8° | 123.4° |
| C33 | C34 | O10 | 119.9° | 121.2° |
| C33 | C34 | C35 | 120.3° | 120.4° |
| C34 | C33 | C47 | 123.2° | 118.9° |
| O10 | C34 | C35 | 119.8° | 118.3° |
| C34 | O10 | H35 | 109.5° | 114.1° |
| C34 | C35 | C36 | 119.6° | 120.5° |
| C34 | C35 | H36 | 120.2° | 119.6° |
| C36 | C35 | H36 | 120.2° | 119.9° |
| C35 | C36 | H37 | 120.1° | 119.9° |
| N7 | C37 | C45 | 110.8° | 111.3° |
| N7 | C37 | C44 | 108.0° | 112.7° |
| C37 | N7 | H38 | 115.8° | 116.3° |
| N7 | C37 | H39 | 107.8° | 108.4° |
| C37 | N7 | C30 | 128.4° | 128.2° |
| O11 | C40 | C38 | 122.0° | 118.3° |
| O11 | C40 | C39 | 118.6° | 122.1° |
| C40 | O11 | C25 | 118.2° | 109.0° |
| C38 | C40 | C39 | 119.2° | 119.5° |
| C40 | C38 | C42 | 120.1° | 120.5° |
| C40 | C38 | H40 | 120.0° | 120.5° |
| C40 | C39 | C43 | 121.0° | 119.2° |
| C40 | C39 | CL2 | 119.5° | 120.2° |
| C38 | C42 | C41 | 119.9° | 119.6° |
| C42 | C38 | H40 | 119.9° | 119.0° |
| C38 | C42 | H41 | 120.0° | 120.4° |
| C42 | C41 | C43 | 119.5° | 119.4° |
| C42 | C41 | C44 | 123.2° | 119.2° |
| C41 | C42 | H41 | 120.0° | 120.0° |
| C43 | C41 | C44 | 117.1° | 121.3° |
| C41 | C43 | C39 | 120.0° | 121.0° |
| C41 | C43 | H42 | 120.0° | 119.5° |
| C41 | C44 | C37 | 106.5° | 110.5° |
| C41 | C44 | O13 | 112.0° | 110.0° |
| C41 | C44 | H43 | 108.7° | 108.6° |
| C43 | C39 | CL2 | 119.5° | 120.7° |
| C39 | C43 | H42 | 120.0° | 119.6° |
| O12 | C45 | C37 | 123.0° | 117.7° |
| O12 | C45 | N8 | 126.2° | 121.6° |
| C45 | C37 | C44 | 116.0° | 110.2° |
| C45 | C37 | H39 | 106.9° | 106.5° |
| C37 | C45 | N8 | 110.9° | 120.7° |
| C37 | C44 | O13 | 111.1° | 110.4° |
| C44 | C37 | H39 | 107.0° | 107.5° |
| C37 | C44 | H43 | 108.4° | 108.9° |
| O13 | C44 | H43 | 110.0° | 108.3° |
| C44 | O13 | C67 | 111.8° | 114.0° |
| H38 | N7 | C30 | 115.8° | 115.6° |
| N8 | C52 | C51 | 113.5° | 115.6° |
| N8 | C52 | C53 | 105.6° | 111.5° |
| C52 | N8 | H44 | 117.9° | 116.6° |
| N8 | C52 | H45 | 108.6° | 108.0° |
| C52 | N8 | C45 | 124.3° | 127.9° |
| O14 | C46 | C47 | 119.5° | 120.9° |
| O14 | C46 | C48 | 119.6° | 117.8° |
| C46 | O14 | H46 | 109.5° | 114.0° |
| C47 | C46 | C48 | 120.9° | 121.3° |
| C46 | C47 | C51 | 120.2° | 118.0° |
| C46 | C47 | C33 | 115.2° | 119.3° |
| C46 | C48 | C49 | 120.0° | 119.3° |
| C46 | C48 | H47 | 120.0° | 120.3° |
| C47 | C51 | C50 | 118.2° | 119.2° |
| C47 | C51 | C52 | 122.2° | 121.9° |
| C51 | C47 | C33 | 124.6° | 122.6° |
| C48 | C49 | O15 | 120.2° | 120.4° |
| C48 | C49 | C50 | 119.5° | 119.7° |
| C49 | C48 | H47 | 120.0° | 120.5° |
| O15 | C49 | C50 | 120.3° | 119.8° |
| C49 | O15 | H48 | 109.5° | 114.0° |
| C49 | C50 | C51 | 121.2° | 121.1° |
| C49 | C50 | H49 | 119.4° | 115.9° |
| C50 | C51 | C52 | 119.6° | 118.6° |
| C51 | C50 | H49 | 119.4° | 122.9° |
| C51 | C52 | C53 | 114.1° | 109.9° |
| C51 | C52 | H45 | 107.4° | 106.3° |
| C52 | C53 | O16 | 118.7° | 120.0° |
| C52 | C53 | O17 | 118.1° | 120.0° |
| C53 | C52 | H45 | 107.3° | 104.9° |
| O16 | C53 | O17 | 123.2° | 120.0° |
| C53 | O17 | H50 | 109.5° | 117.1° |
| H44 | N8 | C45 | 117.9° | 115.5° |
| C55 | C54 | C59 | 111.5° | 109.2° |
| C55 | C54 | O18 | 109.7° | 109.5° |
| C55 | C54 | H51 | 108.0° | 109.5° |
| C54 | C55 | C56 | 110.0° | 109.1° |
| C54 | C55 | O19 | 108.6° | 109.5° |
| C54 | C55 | H52 | 108.9° | 109.5° |
| C59 | C54 | O18 | 110.1° | 109.5° |
| C59 | C54 | H51 | 108.0° | 109.5° |
| C54 | C59 | O21 | 108.7° | 109.4° |
| C54 | C59 | H57 | 109.8° | 109.5° |
| C54 | C59 | O8 | 106.7° | 109.5° |
| O18 | C54 | H51 | 109.5° | 109.6° |
| C54 | O18 | C60 | 111.9° | 114.0° |
| C56 | C55 | O19 | 109.8° | 109.5° |
| C56 | C55 | H52 | 108.9° | 109.6° |
| C55 | C56 | C57 | 110.7° | 109.1° |
| C55 | C56 | O20 | 109.3° | 109.6° |
| C55 | C56 | H53 | 109.0° | 109.6° |
| O19 | C55 | H52 | 110.6° | 109.6° |
| C55 | O19 | H58 | 109.5° | 114.0° |
| C57 | C56 | O20 | 108.2° | 109.5° |
| C57 | C56 | H53 | 108.9° | 109.5° |
| C56 | C57 | C58 | 110.5° | 109.5° |
| C56 | C57 | O21 | 109.9° | 109.5° |
| C56 | C57 | H54 | 108.8° | 109.5° |
| O20 | C56 | H53 | 110.7° | 109.6° |
| C56 | O20 | H59 | 109.5° | 114.0° |
| C58 | C57 | O21 | 108.2° | 109.5° |
| C58 | C57 | H54 | 108.8° | 109.4° |
| C57 | C58 | O22 | 110.1° | 109.5° |
| C57 | C58 | H55 | 109.3° | 109.5° |
| C57 | C58 | H56 | 109.3° | 109.4° |
| O21 | C57 | H54 | 110.5° | 109.5° |
| C57 | O21 | C59 | 114.1° | 114.1° |
| O22 | C58 | H55 | 109.3° | 109.5° |
| O22 | C58 | H56 | 109.3° | 109.5° |
| C58 | O22 | H60 | 109.5° | 114.0° |
| H55 | C58 | H56 | 109.5° | 109.5° |
| O21 | C59 | H57 | 111.5° | 109.5° |
| O21 | C59 | O8 | 108.4° | 109.5° |
| H57 | C59 | O8 | 111.6° | 109.5° |
| C61 | C60 | O24 | 109.8° | 109.4° |
| C60 | C61 | C62 | 112.3° | 109.2° |
| C61 | C60 | H61 | 107.9° | 109.5° |
| C60 | C61 | H62 | 108.7° | 109.6° |
| C60 | C61 | H63 | 108.8° | 109.6° |
| C61 | C60 | O18 | 110.9° | 109.4° |
| C60 | O24 | C65 | 112.4° | 114.1° |
| O24 | C60 | H61 | 109.6° | 109.5° |
| O24 | C60 | O18 | 109.1° | 109.5° |
| C61 | C62 | N9 | 109.2° | 109.6° |
| C61 | C62 | C63 | 110.4° | 109.6° |
| C61 | C62 | C64 | 109.2° | 109.0° |
| C62 | C61 | H62 | 108.8° | 109.5° |
| C62 | C61 | H63 | 108.7° | 109.5° |
| N9 | C62 | C63 | 108.5° | 109.5° |
| N9 | C62 | C64 | 109.3° | 109.5° |
| C62 | N9 | H64 | 109.5° | 111.0° |
| C62 | N9 | H65 | 109.4° | 111.0° |
| C63 | C62 | C64 | 110.2° | 109.6° |
| C62 | C63 | H66 | 109.5° | 109.5° |
| C62 | C63 | H67 | 109.5° | 109.5° |
| C62 | C63 | H68 | 109.5° | 109.5° |
| C62 | C64 | O23 | 109.6° | 109.5° |
| C62 | C64 | C65 | 110.0° | 109.2° |
| C62 | C64 | H69 | 108.5° | 109.5° |
| O23 | C64 | C65 | 110.1° | 109.5° |
| O23 | C64 | H69 | 110.1° | 109.5° |
| C64 | O23 | H70 | 109.5° | 114.0° |
| C64 | C65 | O24 | 108.0° | 109.4° |
| C64 | C65 | C66 | 112.4° | 109.4° |
| C65 | C64 | H69 | 108.5° | 109.6° |
| C64 | C65 | H71 | 108.5° | 109.5° |
| O24 | C65 | C66 | 109.4° | 109.5° |
| O24 | C65 | H71 | 110.1° | 109.5° |
| C66 | C65 | H71 | 108.4° | 109.5° |
| C65 | C66 | H72 | 109.5° | 109.5° |
| C65 | C66 | H73 | 109.5° | 109.5° |
| C65 | C66 | H74 | 109.5° | 109.5° |
| H61 | C60 | O18 | 109.5° | 109.5° |
| H62 | C61 | H63 | 109.4° | 109.5° |
| H64 | N9 | H65 | 109.5° | 111.0° |
| H66 | C63 | H67 | 109.4° | 109.5° |
| H66 | C63 | H68 | 109.5° | 109.4° |
| H67 | C63 | H68 | 109.5° | 109.5° |
| H72 | C66 | H73 | 109.5° | 109.5° |
| H72 | C66 | H74 | 109.5° | 109.5° |
| H73 | C66 | H74 | 109.4° | 109.5° |
| C68 | C67 | O26 | 110.8° | 109.4° |
| C67 | C68 | C69 | 113.0° | 109.2° |
| C68 | C67 | H75 | 107.6° | 109.4° |
| C67 | C68 | H76 | 108.6° | 109.6° |
| C67 | C68 | H77 | 108.6° | 109.5° |
| C68 | C67 | O13 | 111.5° | 109.5° |
| C67 | O26 | C72 | 112.4° | 114.1° |
| O26 | C67 | H75 | 109.3° | 109.5° |
| O26 | C67 | O13 | 108.4° | 109.5° |
| C68 | C69 | N10 | 109.2° | 109.5° |
| C68 | C69 | C70 | 110.9° | 109.6° |
| C68 | C69 | C71 | 108.7° | 109.0° |
| C69 | C68 | H76 | 108.6° | 109.5° |
| C69 | C68 | H77 | 108.6° | 109.5° |
| N10 | C69 | C70 | 108.5° | 109.6° |
| N10 | C69 | C71 | 109.2° | 109.5° |
| C69 | N10 | H78 | 109.5° | 111.0° |
| C69 | N10 | H79 | 109.5° | 111.0° |
| C70 | C69 | C71 | 110.3° | 109.7° |
| C69 | C70 | H80 | 109.5° | 109.5° |
| C69 | C70 | H81 | 109.5° | 109.4° |
| C69 | C70 | H82 | 109.5° | 109.5° |
| C69 | C71 | O25 | 110.3° | 109.5° |
| C69 | C71 | C72 | 109.3° | 109.2° |
| C69 | C71 | H83 | 108.2° | 109.5° |
| O25 | C71 | C72 | 110.9° | 109.5° |
| O25 | C71 | H83 | 109.8° | 109.5° |
| C71 | O25 | H84 | 109.5° | 114.0° |
| C71 | C72 | O26 | 105.7° | 109.4° |
| C71 | C72 | C73 | 112.1° | 109.5° |
| C72 | C71 | H83 | 108.3° | 109.6° |
| C71 | C72 | H85 | 109.2° | 109.5° |
| O26 | C72 | C73 | 109.8° | 109.5° |
| O26 | C72 | H85 | 110.9° | 109.5° |
| C73 | C72 | H85 | 109.0° | 109.5° |
| C72 | C73 | H86 | 109.5° | 109.5° |
| C72 | C73 | H87 | 109.5° | 109.5° |
| C72 | C73 | H88 | 109.5° | 109.5° |
| H75 | C67 | O13 | 109.3° | 109.5° |
| H76 | C68 | H77 | 109.5° | 109.5° |
| H78 | N10 | H79 | 109.5° | 111.0° |
| H80 | C70 | H81 | 109.5° | 109.4° |
| H80 | C70 | H82 | 109.5° | 109.5° |
| H81 | C70 | H82 | 109.4° | 109.5° |
| H86 | C73 | H87 | 109.5° | 109.4° |
| H86 | C73 | H88 | 109.4° | 109.5° |
| H87 | C73 | H88 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 120.1° | 123.9° |
| C1 | N1 | C2 | C3 | 59.4° | 86.7° |
| C1 | N1 | C2 | C4 | 179.9° | 153.3° |
| N1 | C1 | H2 | H3 | 120.0° | 120.1° |
| N1 | C1 | H2 | H4 | 120.0° | 120.0° |
| N1 | C1 | H3 | H4 | 120.0° | 119.9° |
| C1 | N1 | C2 | H5 | 59.8° | 33.2° |
| N1 | C2 | C3 | C4 | 123.0° | 120.0° |
| N1 | C2 | C3 | H5 | 119.7° | 120.0° |
| N1 | C2 | C4 | H5 | 120.6° | 120.0° |
| N1 | C2 | C3 | O1 | 63.4° | 26.0° |
| N1 | C2 | C4 | C5 | 54.7° | 65.0° |
| C2 | N1 | C1 | H2 | 180.0° | 64.9° |
| C2 | N1 | C1 | H3 | 60.0° | 55.2° |
| C2 | N1 | C1 | H4 | 60.0° | 175.1° |
| N1 | C2 | C4 | H6 | 175.2° | 175.0° |
| N1 | C2 | C4 | H7 | 65.8° | 55.0° |
| N1 | C2 | C3 | N2 | 116.7° | 154.1° |
| C3 | C2 | C4 | H5 | 117.2° | 120.0° |
| C2 | C3 | O1 | N2 | 179.9° | 180.0° |
| C3 | C2 | C4 | C5 | 176.9° | 175.0° |
| C3 | C2 | N1 | H1 | 60.8° | 37.2° |
| C3 | C2 | C4 | H6 | 62.6° | 55.0° |
| C3 | C2 | C4 | H7 | 56.4° | 65.0° |
| C2 | C3 | N2 | C8 | 179.6° | 180.0° |
| C2 | C3 | N2 | H15 | 0.4° | 0.1° |
| C4 | C2 | C3 | O1 | 59.6° | 94.1° |
| C2 | C4 | C5 | H6 | 120.5° | 120.0° |
| C2 | C4 | C5 | H7 | 120.5° | 120.0° |
| C2 | C4 | C5 | C6 | 65.2° | 65.0° |
| C2 | C4 | C5 | C7 | 172.0° | 175.0° |
| C4 | C2 | N1 | H1 | 60.0° | 82.8° |
| C2 | C4 | H6 | H7 | 118.5° | 120.0° |
| C2 | C4 | C5 | H8 | 53.8° | 55.0° |
| C4 | C2 | C3 | N2 | 120.3° | 85.9° |
| O1 | C3 | C2 | H5 | 176.9° | 145.9° |
| O1 | C3 | N2 | C8 | 0.3° | 0.0° |
| O1 | C3 | N2 | H15 | 179.7° | 179.9° |
| C4 | C5 | C6 | C7 | 122.6° | 120.0° |
| C4 | C5 | C6 | H8 | 119.0° | 120.0° |
| C4 | C5 | C7 | H8 | 118.3° | 120.0° |
| C5 | C4 | C2 | H5 | 65.9° | 55.0° |
| C5 | C4 | H6 | H7 | 118.5° | 120.0° |
| C4 | C5 | C6 | H9 | 180.0° | 60.0° |
| C4 | C5 | C6 | H10 | 60.0° | 180.0° |
| C4 | C5 | C6 | H11 | 60.0° | 60.0° |
| C4 | C5 | C7 | H12 | 180.0° | 60.0° |
| C4 | C5 | C7 | H13 | 60.0° | 180.0° |
| C4 | C5 | C7 | H14 | 60.0° | 60.0° |
| C6 | C5 | C7 | H8 | 118.5° | 120.0° |
| C6 | C5 | C4 | H6 | 55.3° | 55.0° |
| C6 | C5 | C4 | H7 | 174.3° | 175.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 119.9° |
| C5 | C6 | H10 | H11 | 120.0° | 119.9° |
| C6 | C5 | C7 | H12 | 56.8° | 180.0° |
| C6 | C5 | C7 | H13 | 63.2° | 60.0° |
| C6 | C5 | C7 | H14 | 176.8° | 60.0° |
| C7 | C5 | C4 | H6 | 67.5° | 65.0° |
| C7 | C5 | C4 | H7 | 51.6° | 55.0° |
| C7 | C5 | C6 | H9 | 57.4° | 60.0° |
| C7 | C5 | C6 | H10 | 177.4° | 60.0° |
| C7 | C5 | C6 | H11 | 62.6° | 180.0° |
| C5 | C7 | H12 | H13 | 120.0° | 120.1° |
| C5 | C7 | H12 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| H1 | N1 | C1 | H2 | 59.9° | 59.0° |
| H1 | N1 | C1 | H3 | 60.1° | 179.1° |
| H1 | N1 | C1 | H4 | 179.8° | 61.0° |
| H1 | N1 | C2 | H5 | 179.9° | 157.1° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H5 | C2 | C4 | H6 | 54.6° | 65.0° |
| H5 | C2 | C4 | H7 | 173.6° | 175.0° |
| H5 | C2 | C3 | N2 | 3.0° | 34.1° |
| H6 | C4 | C5 | H8 | 174.3° | 175.0° |
| H7 | C4 | C5 | H8 | 66.7° | 65.0° |
| H8 | C5 | C6 | H9 | 61.0° | 180.0° |
| H8 | C5 | C6 | H10 | 59.0° | 60.0° |
| H8 | C5 | C6 | H11 | 179.0° | 60.0° |
| H8 | C5 | C7 | H12 | 61.7° | 60.1° |
| H8 | C5 | C7 | H13 | 178.3° | 60.0° |
| H8 | C5 | C7 | H14 | 58.3° | 180.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.1° |
| H12 | C7 | H13 | H14 | 120.0° | 120.0° |
| N2 | C8 | C9 | C10 | 125.4° | 121.1° |
| N2 | C8 | C9 | H16 | 116.9° | 119.1° |
| N2 | C8 | C10 | H16 | 117.3° | 119.0° |
| N2 | C8 | C9 | O2 | 150.1° | 47.4° |
| N2 | C8 | C10 | O3 | 63.4° | 31.5° |
| N2 | C8 | C10 | C11 | 57.0° | 152.1° |
| C8 | N2 | H15 | C3 | 180.0° | 179.9° |
| N2 | C8 | C10 | H17 | 176.3° | 88.3° |
| N2 | C8 | C9 | N3 | 29.5° | 133.1° |
| C9 | C8 | C10 | H16 | 117.6° | 119.9° |
| C8 | C9 | O2 | N3 | 179.6° | 179.5° |
| C9 | C8 | C10 | O3 | 171.5° | 89.5° |
| C9 | C8 | C10 | C11 | 68.1° | 31.0° |
| C9 | C8 | N2 | H15 | 79.2° | 95.0° |
| C9 | C8 | C10 | H17 | 51.2° | 150.6° |
| C8 | C9 | N3 | C17 | 177.7° | 163.6° |
| C8 | C9 | N3 | H22 | 2.3° | 16.4° |
| C9 | C8 | N2 | C3 | 100.8° | 85.0° |
| C10 | C8 | C9 | O2 | 84.4° | 73.7° |
| C8 | C10 | O3 | C11 | 121.4° | 119.9° |
| C8 | C10 | O3 | H17 | 119.2° | 120.0° |
| C8 | C10 | C11 | H17 | 119.0° | 119.7° |
| C8 | C10 | C11 | C12 | 94.6° | 118.1° |
| C8 | C10 | C11 | C13 | 82.8° | 62.3° |
| C10 | C8 | N2 | H15 | 47.8° | 27.5° |
| C8 | C10 | O3 | H18 | 180.0° | 180.0° |
| C10 | C8 | N2 | C3 | 132.1° | 152.4° |
| C10 | C8 | C9 | N3 | 96.0° | 105.8° |
| O2 | C9 | C8 | H16 | 33.2° | 166.5° |
| O2 | C9 | N3 | C17 | 1.9° | 16.9° |
| O2 | C9 | N3 | H22 | 178.1° | 163.1° |
| CL1 | C14 | C12 | C11 | 179.0° | 177.4° |
| CL1 | C14 | C12 | C16 | 178.7° | 179.0° |
| CL1 | C14 | C16 | C15 | 177.1° | 175.4° |
| CL1 | C14 | C16 | O4 | 9.0° | 7.5° |
| CL1 | C14 | C12 | H19 | 0.9° | 3.3° |
| O3 | C10 | C11 | H17 | 120.2° | 119.9° |
| O3 | C10 | C11 | C12 | 144.5° | 2.3° |
| O3 | C10 | C11 | C13 | 38.0° | 177.4° |
| O3 | C10 | C8 | H16 | 53.9° | 150.6° |
| C10 | C11 | C12 | C13 | 177.5° | 179.7° |
| C10 | C11 | C12 | C14 | 174.1° | 178.9° |
| C10 | C11 | C13 | C15 | 174.3° | 177.8° |
| C11 | C10 | C8 | H16 | 174.3° | 88.9° |
| C11 | C10 | O3 | H18 | 58.6° | 60.0° |
| C10 | C11 | C12 | H19 | 5.9° | 0.4° |
| C10 | C11 | C13 | H20 | 5.7° | 2.3° |
| C11 | C12 | C14 | H19 | 180.0° | 179.3° |
| C12 | C11 | C13 | C15 | 3.1° | 2.5° |
| C11 | C12 | C14 | C16 | 0.3° | 1.6° |
| C12 | C11 | C10 | H17 | 24.4° | 122.2° |
| C12 | C11 | C13 | H20 | 176.9° | 177.3° |
| C13 | C11 | C12 | C14 | 3.4° | 1.4° |
| C11 | C13 | C15 | H20 | 180.0° | 179.8° |
| C11 | C13 | C15 | C16 | 0.8° | 0.6° |
| C13 | C11 | C10 | H17 | 158.2° | 57.5° |
| C13 | C11 | C12 | H19 | 176.7° | 179.3° |
| C11 | C13 | C15 | H21 | 179.3° | 179.4° |
| C12 | C14 | C16 | C15 | 4.2° | 3.6° |
| C12 | C14 | C16 | O4 | 169.7° | 173.6° |
| C13 | C15 | C16 | C14 | 4.4° | 2.5° |
| C13 | C15 | C16 | H21 | 180.0° | 180.0° |
| C13 | C15 | C16 | O4 | 169.3° | 174.6° |
| C14 | C16 | C15 | O4 | 173.7° | 177.0° |
| C16 | C14 | C12 | H19 | 179.6° | 177.7° |
| C14 | C16 | C15 | H21 | 175.6° | 177.6° |
| C14 | C16 | O4 | C27 | 65.2° | 61.4° |
| C16 | C15 | C13 | H20 | 179.2° | 179.3° |
| C15 | C16 | O4 | C27 | 108.6° | 115.6° |
| O4 | C16 | C15 | H21 | 10.7° | 5.4° |
| C16 | O4 | C27 | C26 | 173.5° | 116.2° |
| C16 | O4 | C27 | C28 | 5.4° | 64.0° |
| H15 | N2 | C8 | H16 | 164.5° | 146.1° |
| H16 | C8 | C10 | H17 | 66.4° | 30.7° |
| H16 | C8 | N2 | C3 | 15.5° | 33.8° |
| H16 | C8 | C9 | N3 | 146.4° | 13.9° |
| H17 | C10 | O3 | H18 | 60.8° | 60.0° |
| H20 | C13 | C15 | H21 | 0.8° | 0.8° |
| C17 | N3 | H22 | C9 | 180.0° | 180.0° |
| N3 | C17 | C18 | C19 | 121.4° | 123.6° |
| N3 | C17 | C18 | H23 | 121.4° | 119.6° |
| N3 | C17 | C19 | H23 | 118.4° | 117.8° |
| N3 | C17 | C18 | O5 | 108.3° | 37.8° |
| N3 | C17 | C19 | C20 | 51.4° | 65.0° |
| N3 | C17 | C19 | H24 | 68.7° | 55.1° |
| N3 | C17 | C19 | H25 | 171.6° | 175.0° |
| N3 | C17 | C18 | N5 | 73.5° | 142.2° |
| H22 | N3 | C17 | C18 | 38.2° | 109.0° |
| H22 | N3 | C17 | C19 | 83.1° | 127.7° |
| H22 | N3 | C17 | H23 | 159.1° | 10.2° |
| C18 | C17 | C19 | H23 | 117.1° | 116.7° |
| C17 | C18 | O5 | N5 | 178.0° | 179.9° |
| C18 | C17 | C19 | C20 | 175.9° | 169.5° |
| C18 | C17 | C19 | H24 | 55.8° | 70.4° |
| C18 | C17 | C19 | H25 | 63.9° | 49.5° |
| C17 | C18 | N5 | C21 | 177.9° | 172.8° |
| C17 | C18 | N5 | H28 | 2.1° | 7.4° |
| C18 | C17 | N3 | C9 | 141.8° | 70.9° |
| C19 | C17 | C18 | O5 | 130.3° | 85.8° |
| C17 | C19 | C20 | H24 | 120.1° | 120.0° |
| C17 | C19 | C20 | H25 | 120.2° | 120.0° |
| C17 | C19 | H24 | H25 | 119.6° | 119.9° |
| C17 | C19 | C20 | O6 | 67.5° | 0.0° |
| C17 | C19 | C20 | N4 | 112.6° | 180.0° |
| C19 | C17 | N3 | C9 | 96.8° | 52.3° |
| C19 | C17 | C18 | N5 | 47.9° | 94.2° |
| H23 | C17 | C18 | O5 | 13.1° | 157.4° |
| H23 | C17 | C19 | C20 | 67.0° | 52.8° |
| H23 | C17 | C19 | H24 | 172.9° | 172.8° |
| H23 | C17 | C19 | H25 | 53.2° | 67.2° |
| H23 | C17 | N3 | C9 | 21.0° | 169.8° |
| H23 | C17 | C18 | N5 | 165.1° | 22.6° |
| O5 | C18 | N5 | C21 | 0.2° | 7.2° |
| O5 | C18 | N5 | H28 | 179.8° | 172.7° |
| C20 | C19 | H24 | H25 | 119.6° | 120.0° |
| C19 | C20 | O6 | N4 | 179.9° | 180.0° |
| C19 | C20 | N4 | H26 | 179.8° | 0.0° |
| C19 | C20 | N4 | H27 | 0.2° | 180.0° |
| H24 | C19 | C20 | O6 | 172.3° | 120.0° |
| H24 | C19 | C20 | N4 | 7.5° | 60.0° |
| H25 | C19 | C20 | O6 | 52.6° | 120.0° |
| H25 | C19 | C20 | N4 | 127.3° | 60.0° |
| O6 | C20 | N4 | H26 | 0.0° | 180.0° |
| O6 | C20 | N4 | H27 | 180.0° | 0.0° |
| C20 | N4 | H26 | H27 | 180.0° | 180.0° |
| C21 | N5 | H28 | C18 | 180.0° | 179.8° |
| N5 | C21 | C22 | C23 | 126.9° | 120.2° |
| N5 | C21 | C22 | H29 | 117.2° | 119.4° |
| N5 | C21 | C23 | H29 | 119.8° | 120.7° |
| N5 | C21 | C22 | O7 | 36.2° | 39.6° |
| N5 | C21 | C23 | C24 | 160.0° | 157.0° |
| N5 | C21 | C23 | C28 | 20.0° | 22.7° |
| N5 | C21 | C22 | N6 | 144.1° | 140.3° |
| H28 | N5 | C21 | C22 | 33.7° | 114.8° |
| H28 | N5 | C21 | C23 | 90.3° | 125.3° |
| H28 | N5 | C21 | H29 | 150.3° | 4.4° |
| C22 | C21 | C23 | H29 | 115.8° | 120.0° |
| C21 | C22 | O7 | N6 | 179.6° | 180.0° |
| C22 | C21 | C23 | C24 | 35.5° | 37.7° |
| C22 | C21 | C23 | C28 | 144.5° | 141.9° |
| C21 | C22 | N6 | C29 | 176.3° | 179.1° |
| C21 | C22 | N6 | H32 | 3.7° | 1.1° |
| C22 | C21 | N5 | C18 | 146.3° | 65.3° |
| C23 | C21 | C22 | O7 | 90.7° | 80.6° |
| C21 | C23 | C24 | C28 | 180.0° | 179.6° |
| C21 | C23 | C24 | C25 | 179.3° | 178.3° |
| C21 | C23 | C24 | H30 | 0.7° | 2.4° |
| C21 | C23 | C28 | C27 | 179.1° | 179.7° |
| C21 | C23 | C28 | H31 | 1.0° | 0.5° |
| C23 | C21 | N5 | C18 | 89.6° | 54.6° |
| C23 | C21 | C22 | N6 | 89.0° | 99.5° |
| H29 | C21 | C22 | O7 | 153.4° | 159.0° |
| H29 | C21 | C23 | C24 | 80.2° | 82.3° |
| H29 | C21 | C23 | C28 | 99.8° | 98.0° |
| H29 | C21 | N5 | C18 | 29.7° | 175.5° |
| H29 | C21 | C22 | N6 | 27.0° | 21.0° |
| O7 | C22 | N6 | C29 | 3.3° | 0.9° |
| O7 | C22 | N6 | H32 | 176.7° | 179.0° |
| C23 | C24 | C25 | H30 | 180.0° | 179.3° |
| C23 | C24 | C25 | C26 | 2.0° | 5.2° |
| C24 | C23 | C28 | C27 | 0.9° | 0.1° |
| C24 | C23 | C28 | H31 | 179.1° | 179.8° |
| C23 | C24 | C25 | O11 | 177.7° | 170.1° |
| C28 | C23 | C24 | C25 | 0.8° | 1.3° |
| C28 | C23 | C24 | H30 | 179.3° | 177.9° |
| C23 | C28 | C27 | C26 | 1.3° | 2.3° |
| C23 | C28 | C27 | H31 | 180.0° | 179.7° |
| C23 | C28 | C27 | O4 | 177.5° | 177.8° |
| C24 | C25 | C26 | O11 | 179.7° | 175.2° |
| C24 | C25 | C26 | O8 | 176.1° | 173.7° |
| C24 | C25 | C26 | C27 | 1.5° | 7.4° |
| C24 | C25 | O11 | C40 | 18.2° | 49.9° |
| H30 | C24 | C25 | C26 | 178.1° | 174.1° |
| H30 | C24 | C25 | O11 | 2.3° | 10.6° |
| C25 | C26 | O8 | C27 | 177.8° | 178.9° |
| C25 | C26 | C27 | C28 | 0.0° | 6.0° |
| C26 | C25 | O11 | C40 | 162.1° | 125.4° |
| C25 | C26 | C27 | O4 | 179.0° | 174.2° |
| C25 | C26 | O8 | C59 | 64.6° | 89.6° |
| O8 | C26 | C27 | C28 | 177.8° | 175.1° |
| C26 | O8 | C59 | C54 | 176.7° | 172.3° |
| C26 | O8 | C59 | O21 | 66.3° | 67.7° |
| C26 | O8 | C59 | H57 | 56.9° | 52.3° |
| O8 | C26 | C27 | O4 | 1.2° | 4.7° |
| O8 | C26 | C25 | O11 | 4.2° | 11.1° |
| C26 | C27 | C28 | O4 | 178.8° | 179.9° |
| C26 | C27 | C28 | H31 | 178.7° | 177.4° |
| C27 | C26 | C25 | O11 | 178.2° | 167.8° |
| C27 | C26 | O8 | C59 | 117.6° | 91.6° |
| H31 | C28 | C27 | O4 | 2.5° | 2.5° |
| C29 | N6 | H32 | C22 | 180.0° | 179.8° |
| N6 | C29 | C30 | C31 | 131.4° | 119.9° |
| N6 | C29 | C30 | H33 | 115.3° | 122.7° |
| N6 | C29 | C31 | H33 | 119.4° | 123.3° |
| N6 | C29 | C30 | O9 | 39.3° | 20.9° |
| N6 | C29 | C31 | C32 | 122.4° | 78.8° |
| N6 | C29 | C31 | C36 | 64.0° | 101.4° |
| N6 | C29 | C30 | N7 | 141.2° | 161.2° |
| H32 | N6 | C29 | C30 | 6.5° | 105.8° |
| H32 | N6 | C29 | C31 | 119.7° | 9.7° |
| H32 | N6 | C29 | H33 | 121.2° | 132.4° |
| C30 | C29 | C31 | H33 | 113.0° | 117.1° |
| C29 | C30 | O9 | N7 | 179.5° | 177.9° |
| C30 | C29 | C31 | C32 | 110.0° | 40.8° |
| C30 | C29 | C31 | C36 | 63.6° | 139.0° |
| C29 | C30 | N7 | C37 | 0.4° | 167.8° |
| C29 | C30 | N7 | H38 | 179.6° | 12.5° |
| C30 | C29 | N6 | C22 | 173.5° | 74.1° |
| C31 | C29 | C30 | O9 | 92.1° | 99.0° |
| C29 | C31 | C32 | C36 | 174.0° | 179.9° |
| C29 | C31 | C32 | C33 | 172.1° | 171.8° |
| C29 | C31 | C32 | H34 | 7.9° | 11.5° |
| C29 | C31 | C36 | C35 | 173.0° | 175.1° |
| C29 | C31 | C36 | H37 | 7.0° | 4.8° |
| C31 | C29 | N6 | C22 | 60.3° | 170.5° |
| C31 | C29 | C30 | N7 | 87.5° | 79.0° |
| H33 | C29 | C30 | O9 | 154.6° | 143.6° |
| H33 | C29 | C31 | C32 | 3.0° | 157.9° |
| H33 | C29 | C31 | C36 | 176.7° | 21.9° |
| H33 | C29 | N6 | C22 | 58.8° | 47.8° |
| H33 | C29 | C30 | N7 | 25.9° | 38.5° |
| O9 | C30 | N7 | C37 | 179.9° | 10.1° |
| O9 | C30 | N7 | H38 | 0.1° | 169.6° |
| C31 | C32 | C33 | H34 | 180.0° | 176.6° |
| C31 | C32 | C33 | C34 | 2.2° | 5.0° |
| C32 | C31 | C36 | C35 | 0.5° | 4.8° |
| C32 | C31 | C36 | H37 | 179.5° | 175.3° |
| C31 | C32 | C33 | C47 | 178.4° | 170.0° |
| C36 | C31 | C32 | C33 | 1.8° | 8.1° |
| C36 | C31 | C32 | H34 | 178.1° | 168.6° |
| C31 | C36 | C35 | C34 | 0.4° | 1.4° |
| C31 | C36 | C35 | H37 | 180.0° | 179.9° |
| C31 | C36 | C35 | H36 | 179.6° | 178.2° |
| C32 | C33 | C34 | C47 | 179.4° | 175.2° |
| C32 | C33 | C34 | O10 | 179.0° | 177.0° |
| C32 | C33 | C34 | C35 | 1.2° | 1.2° |
| C32 | C33 | C47 | C46 | 109.8° | 141.6° |
| C32 | C33 | C47 | C51 | 67.5° | 36.1° |
| H34 | C32 | C33 | C34 | 177.8° | 171.7° |
| H34 | C32 | C33 | C47 | 1.6° | 13.3° |
| C33 | C34 | O10 | C35 | 179.8° | 178.2° |
| C33 | C34 | O10 | H35 | 180.0° | 96.2° |
| C33 | C34 | C35 | C36 | 0.1° | 4.4° |
| C33 | C34 | C35 | H36 | 179.9° | 175.2° |
| C34 | C33 | C47 | C46 | 69.6° | 43.5° |
| C34 | C33 | C47 | C51 | 113.1° | 138.9° |
| O10 | C34 | C35 | C36 | 179.7° | 173.9° |
| O10 | C34 | C35 | H36 | 0.3° | 6.6° |
| O10 | C34 | C33 | C47 | 0.3° | 1.8° |
| C35 | C34 | O10 | H35 | 0.2° | 85.6° |
| C34 | C35 | C36 | H36 | 180.0° | 179.6° |
| C34 | C35 | C36 | H37 | 179.6° | 178.6° |
| C35 | C34 | C33 | C47 | 179.4° | 176.4° |
| H36 | C35 | C36 | H37 | 0.4° | 1.9° |
| N7 | C37 | C44 | C41 | 72.2° | 60.8° |
| N7 | C37 | C45 | O12 | 50.3° | 172.5° |
| N7 | C37 | C45 | C44 | 123.5° | 125.8° |
| N7 | C37 | C45 | H39 | 117.3° | 118.0° |
| N7 | C37 | C44 | H39 | 115.8° | 119.4° |
| N7 | C37 | C44 | O13 | 50.1° | 177.2° |
| C37 | N7 | H38 | C30 | 180.0° | 179.8° |
| N7 | C37 | C44 | H43 | 171.1° | 58.4° |
| N7 | C37 | C45 | N8 | 129.0° | 8.5° |
| O11 | C40 | C38 | C39 | 174.5° | 177.5° |
| O11 | C40 | C38 | C42 | 170.4° | 173.1° |
| O11 | C40 | C39 | C43 | 170.9° | 174.1° |
| O11 | C40 | C39 | CL2 | 7.4° | 4.6° |
| O11 | C40 | C38 | H40 | 9.6° | 6.8° |
| C40 | C38 | C42 | H40 | 180.0° | 180.0° |
| C40 | C38 | C42 | C41 | 0.4° | 2.5° |
| C38 | C40 | C39 | C43 | 3.8° | 8.6° |
| C38 | C40 | C39 | CL2 | 177.9° | 172.8° |
| C40 | C38 | C42 | H41 | 179.7° | 177.0° |
| C38 | C40 | O11 | C25 | 111.3° | 19.8° |
| C39 | C40 | C38 | C42 | 4.1° | 9.4° |
| C40 | C39 | C43 | C41 | 0.4° | 1.0° |
| C40 | C39 | C43 | CL2 | 178.4° | 178.6° |
| C39 | C40 | C38 | H40 | 175.9° | 170.7° |
| C40 | C39 | C43 | H42 | 179.6° | 179.4° |
| C39 | C40 | O11 | C25 | 63.3° | 162.8° |
| C38 | C42 | C41 | H41 | 180.0° | 179.5° |
| C38 | C42 | C41 | C43 | 3.8° | 5.1° |
| C38 | C42 | C41 | C44 | 171.1° | 174.1° |
| C42 | C41 | C43 | C44 | 175.1° | 179.2° |
| C42 | C41 | C43 | C39 | 4.1° | 5.9° |
| C42 | C41 | C44 | C37 | 106.5° | 104.0° |
| C42 | C41 | C44 | O13 | 15.2° | 133.8° |
| C41 | C42 | C38 | H40 | 179.6° | 177.6° |
| C42 | C41 | C43 | H42 | 175.8° | 172.5° |
| C42 | C41 | C44 | H43 | 136.9° | 15.4° |
| C41 | C43 | C39 | H42 | 180.0° | 178.4° |
| C41 | C43 | C39 | CL2 | 178.0° | 179.6° |
| C43 | C41 | C44 | C37 | 68.4° | 75.2° |
| C43 | C41 | C44 | O13 | 169.9° | 47.0° |
| C43 | C41 | C42 | H41 | 176.2° | 175.4° |
| C43 | C41 | C44 | H43 | 48.1° | 165.4° |
| C44 | C41 | C43 | C39 | 171.0° | 173.3° |
| C41 | C44 | C37 | C45 | 162.9° | 64.2° |
| C41 | C44 | C37 | O13 | 122.2° | 122.0° |
| C41 | C44 | C37 | H43 | 116.7° | 119.2° |
| C41 | C44 | O13 | H43 | 121.0° | 118.5° |
| C41 | C44 | C37 | H39 | 43.7° | 179.8° |
| C44 | C41 | C42 | H41 | 9.0° | 5.4° |
| C44 | C41 | C43 | H42 | 9.0° | 8.3° |
| C41 | C44 | O13 | C67 | 72.0° | 87.7° |
| CL2 | C39 | C43 | H42 | 2.0° | 2.0° |
| O12 | C45 | C37 | N8 | 179.3° | 179.0° |
| O12 | C45 | C37 | C44 | 73.2° | 46.7° |
| O12 | C45 | C37 | H39 | 167.5° | 69.5° |
| O12 | C45 | N8 | C52 | 2.5° | 48.4° |
| O12 | C45 | N8 | H44 | 177.4° | 130.6° |
| C45 | C37 | C44 | H39 | 119.2° | 115.6° |
| C45 | C37 | C44 | O13 | 74.9° | 57.8° |
| C45 | C37 | N7 | H38 | 78.4° | 122.1° |
| C45 | C37 | C44 | H43 | 46.1° | 176.6° |
| C37 | C45 | N8 | C52 | 176.7° | 132.6° |
| C37 | C45 | N8 | H44 | 3.3° | 48.4° |
| C45 | C37 | N7 | C30 | 101.6° | 58.2° |
| C37 | C44 | O13 | H43 | 120.0° | 119.2° |
| C44 | C37 | N7 | H38 | 49.5° | 113.6° |
| C44 | C37 | N7 | C30 | 130.5° | 66.1° |
| C44 | C37 | C45 | N8 | 107.5° | 134.2° |
| C37 | C44 | O13 | C67 | 169.0° | 150.0° |
| O13 | C44 | C37 | H39 | 165.9° | 57.9° |
| C44 | O13 | C67 | C68 | 173.5° | 175.0° |
| C44 | O13 | C67 | O26 | 51.2° | 65.1° |
| C44 | O13 | C67 | H75 | 67.8° | 55.0° |
| H38 | N7 | C37 | H39 | 164.8° | 5.3° |
| H39 | C37 | C44 | H43 | 73.1° | 61.0° |
| H39 | C37 | N7 | C30 | 15.2° | 175.0° |
| H39 | C37 | C45 | N8 | 11.8° | 109.5° |
| H40 | C38 | C42 | H41 | 0.3° | 3.0° |
| H43 | C44 | O13 | C67 | 49.0° | 30.8° |
| N8 | C52 | C51 | C47 | 57.9° | 69.6° |
| N8 | C52 | C51 | C50 | 121.9° | 116.8° |
| N8 | C52 | C51 | C53 | 121.1° | 127.3° |
| N8 | C52 | C51 | H45 | 120.1° | 119.8° |
| N8 | C52 | C53 | H45 | 115.8° | 116.6° |
| N8 | C52 | C53 | O16 | 147.9° | 34.3° |
| N8 | C52 | C53 | O17 | 31.8° | 145.6° |
| C52 | N8 | H44 | C45 | 180.0° | 179.1° |
| O14 | C46 | C47 | C48 | 179.5° | 178.6° |
| O14 | C46 | C47 | C51 | 179.9° | 170.0° |
| O14 | C46 | C48 | C49 | 180.0° | 178.9° |
| O14 | C46 | C48 | H47 | 0.1° | 0.9° |
| O14 | C46 | C47 | C33 | 2.5° | 7.7° |
| C46 | C47 | C51 | C33 | 177.2° | 177.7° |
| C47 | C46 | C48 | C49 | 0.5° | 2.4° |
| C46 | C47 | C51 | C50 | 0.1° | 14.4° |
| C46 | C47 | C51 | C52 | 179.9° | 159.2° |
| C47 | C46 | O14 | H46 | 180.0° | 85.1° |
| C47 | C46 | C48 | H47 | 179.5° | 177.7° |
| C48 | C46 | C47 | C51 | 0.4° | 11.3° |
| C46 | C48 | C49 | H47 | 180.0° | 179.8° |
| C46 | C48 | C49 | O15 | 179.9° | 177.9° |
| C46 | C48 | C49 | C50 | 0.2° | 3.5° |
| C48 | C46 | O14 | H46 | 0.5° | 96.2° |
| C48 | C46 | C47 | C33 | 177.0° | 170.9° |
| C47 | C51 | C50 | C49 | 0.2° | 8.8° |
| C47 | C51 | C50 | C52 | 179.8° | 173.8° |
| C47 | C51 | C52 | C53 | 179.0° | 163.2° |
| C47 | C51 | C52 | H45 | 62.2° | 50.2° |
| C47 | C51 | C50 | H49 | 179.8° | 167.0° |
| C48 | C49 | O15 | C50 | 179.7° | 178.6° |
| C48 | C49 | C50 | C51 | 0.1° | 0.3° |
| C48 | C49 | O15 | H48 | 180.0° | 90.0° |
| C48 | C49 | C50 | H49 | 179.9° | 176.4° |
| O15 | C49 | C50 | C51 | 179.5° | 178.9° |
| O15 | C49 | C48 | H47 | 0.1° | 2.3° |
| O15 | C49 | C50 | H49 | 0.4° | 5.0° |
| C49 | C50 | C51 | H49 | 180.0° | 175.8° |
| C49 | C50 | C51 | C52 | 179.6° | 165.0° |
| C50 | C49 | C48 | H47 | 179.8° | 176.3° |
| C50 | C49 | O15 | H48 | 0.3° | 91.4° |
| C50 | C51 | C52 | C53 | 0.8° | 10.4° |
| C50 | C51 | C52 | H45 | 118.0° | 123.4° |
| C50 | C51 | C47 | C33 | 177.1° | 168.0° |
| C51 | C52 | C53 | H45 | 118.8° | 113.9° |
| C51 | C52 | C53 | O16 | 86.7° | 95.3° |
| C51 | C52 | C53 | O17 | 93.6° | 84.8° |
| C51 | C52 | N8 | H44 | 25.1° | 33.6° |
| C52 | C51 | C50 | H49 | 0.3° | 19.2° |
| C52 | C51 | C47 | C33 | 2.7° | 18.4° |
| C51 | C52 | N8 | C45 | 154.9° | 145.4° |
| C52 | C53 | O16 | O17 | 179.7° | 179.9° |
| C53 | C52 | N8 | H44 | 100.6° | 160.0° |
| C52 | C53 | O17 | H50 | 179.7° | 180.0° |
| C53 | C52 | N8 | C45 | 79.3° | 19.0° |
| O16 | C53 | C52 | H45 | 32.1° | 150.8° |
| O16 | C53 | O17 | H50 | 0.0° | 0.1° |
| O17 | C53 | C52 | H45 | 147.6° | 29.1° |
| H44 | N8 | C52 | H45 | 144.5° | 85.4° |
| H45 | C52 | N8 | C45 | 35.5° | 95.7° |
| C55 | C54 | C59 | O18 | 122.0° | 119.9° |
| C55 | C54 | C59 | H51 | 118.5° | 119.9° |
| C55 | C54 | O18 | H51 | 118.4° | 120.2° |
| C54 | C55 | C56 | O19 | 119.5° | 119.8° |
| C54 | C55 | C56 | H52 | 119.3° | 119.9° |
| C54 | C55 | O19 | H52 | 119.4° | 120.1° |
| C54 | C55 | C56 | C57 | 50.4° | 57.0° |
| C54 | C55 | C56 | O20 | 169.6° | 176.9° |
| C54 | C55 | C56 | H53 | 69.3° | 62.9° |
| C55 | C54 | C59 | O21 | 55.8° | 57.6° |
| C55 | C54 | C59 | H57 | 66.5° | 62.4° |
| C54 | C55 | O19 | H58 | 180.0° | 179.9° |
| C55 | C54 | C59 | O8 | 172.5° | 177.6° |
| C55 | C54 | O18 | C60 | 95.9° | 124.0° |
| C59 | C54 | O18 | H51 | 118.6° | 120.1° |
| C59 | C54 | C55 | C56 | 51.3° | 57.0° |
| C59 | C54 | C55 | O19 | 171.5° | 176.8° |
| C59 | C54 | C55 | H52 | 68.0° | 63.0° |
| C54 | C59 | O21 | C57 | 62.7° | 61.1° |
| C54 | C59 | O21 | H57 | 121.2° | 120.0° |
| C54 | C59 | O21 | O8 | 115.6° | 120.0° |
| C54 | C59 | H57 | O8 | 118.0° | 120.0° |
| C59 | C54 | O18 | C60 | 141.0° | 116.4° |
| O18 | C54 | C55 | C56 | 173.6° | 176.9° |
| O18 | C54 | C55 | O19 | 66.2° | 63.3° |
| O18 | C54 | C55 | H52 | 54.3° | 57.0° |
| O18 | C54 | C59 | O21 | 177.8° | 177.5° |
| O18 | C54 | C59 | H57 | 55.5° | 57.5° |
| C54 | O18 | C60 | C61 | 173.6° | 170.0° |
| C54 | O18 | C60 | O24 | 65.3° | 70.1° |
| C54 | O18 | C60 | H61 | 54.6° | 50.0° |
| O18 | C54 | C59 | O8 | 65.5° | 62.5° |
| H51 | C54 | C55 | C56 | 67.1° | 62.9° |
| H51 | C54 | C55 | O19 | 53.1° | 57.0° |
| H51 | C54 | C55 | H52 | 173.6° | 177.2° |
| H51 | C54 | C59 | O21 | 62.7° | 62.3° |
| H51 | C54 | C59 | H57 | 175.1° | 177.7° |
| H51 | C54 | C59 | O8 | 54.0° | 57.7° |
| H51 | C54 | O18 | C60 | 22.5° | 3.7° |
| C56 | C55 | O19 | H52 | 120.2° | 120.3° |
| C55 | C56 | C57 | O20 | 119.8° | 119.9° |
| C55 | C56 | C57 | H53 | 119.8° | 119.9° |
| C55 | C56 | O20 | H53 | 120.0° | 120.2° |
| C55 | C56 | C57 | C58 | 174.4° | 177.6° |
| C55 | C56 | C57 | O21 | 55.0° | 57.6° |
| C55 | C56 | C57 | H54 | 66.2° | 62.4° |
| C56 | C55 | O19 | H58 | 59.7° | 60.5° |
| C55 | C56 | O20 | H59 | 180.0° | 180.0° |
| O19 | C55 | C56 | C57 | 169.9° | 176.8° |
| O19 | C55 | C56 | O20 | 70.9° | 63.3° |
| O19 | C55 | C56 | H53 | 50.1° | 57.0° |
| H52 | C55 | C56 | C57 | 68.9° | 62.9° |
| H52 | C55 | C56 | O20 | 50.3° | 57.0° |
| H52 | C55 | C56 | H53 | 171.4° | 177.2° |
| H52 | C55 | O19 | H58 | 60.6° | 59.8° |
| C57 | C56 | O20 | H53 | 119.3° | 120.1° |
| C56 | C57 | C58 | O21 | 120.4° | 120.0° |
| C56 | C57 | C58 | H54 | 119.5° | 120.0° |
| C56 | C57 | O21 | H54 | 120.1° | 120.0° |
| C56 | C57 | C58 | O22 | 55.3° | 175.0° |
| C56 | C57 | C58 | H55 | 175.4° | 55.0° |
| C56 | C57 | C58 | H56 | 64.8° | 65.0° |
| C56 | C57 | O21 | C59 | 62.9° | 61.1° |
| C57 | C56 | O20 | H59 | 59.3° | 60.3° |
| O20 | C56 | C57 | C58 | 65.8° | 62.5° |
| O20 | C56 | C57 | O21 | 174.8° | 177.5° |
| O20 | C56 | C57 | H54 | 53.7° | 57.5° |
| H53 | C56 | C57 | C58 | 54.6° | 57.7° |
| H53 | C56 | C57 | O21 | 64.8° | 62.3° |
| H53 | C56 | C57 | H54 | 174.0° | 177.7° |
| H53 | C56 | O20 | H59 | 60.0° | 59.8° |
| C58 | C57 | O21 | H54 | 119.1° | 120.0° |
| C57 | C58 | O22 | H55 | 120.1° | 120.0° |
| C57 | C58 | O22 | H56 | 120.1° | 119.9° |
| C57 | C58 | H55 | H56 | 119.7° | 120.0° |
| C58 | C57 | O21 | C59 | 176.3° | 178.9° |
| C57 | C58 | O22 | H60 | 180.0° | 180.0° |
| O21 | C57 | C58 | O22 | 65.1° | 65.0° |
| O21 | C57 | C58 | H55 | 55.0° | 175.0° |
| O21 | C57 | C58 | H56 | 174.8° | 55.0° |
| C57 | O21 | C59 | H57 | 58.5° | 58.9° |
| C57 | O21 | C59 | O8 | 178.3° | 178.9° |
| H54 | C57 | C58 | O22 | 174.8° | 55.0° |
| H54 | C57 | C58 | H55 | 65.1° | 65.0° |
| H54 | C57 | C58 | H56 | 54.7° | 175.0° |
| H54 | C57 | O21 | C59 | 57.3° | 58.9° |
| O22 | C58 | H55 | H56 | 119.7° | 120.1° |
| H55 | C58 | O22 | H60 | 59.9° | 60.0° |
| H56 | C58 | O22 | H60 | 59.9° | 60.0° |
| O21 | C59 | H57 | O8 | 121.4° | 120.0° |
| C61 | C60 | O24 | H61 | 118.3° | 120.0° |
| C61 | C60 | O24 | O18 | 121.8° | 119.9° |
| C60 | C61 | C62 | H62 | 120.4° | 119.9° |
| C60 | C61 | C62 | H63 | 120.5° | 120.0° |
| C60 | C61 | C62 | N9 | 167.7° | 62.9° |
| C60 | C61 | C62 | C63 | 73.1° | 177.0° |
| C60 | C61 | C62 | C64 | 48.3° | 57.0° |
| C61 | C60 | O24 | C65 | 62.8° | 61.2° |
| C61 | C60 | H61 | O18 | 120.9° | 120.0° |
| C60 | C61 | H62 | H63 | 118.7° | 120.2° |
| O24 | C60 | C61 | C62 | 52.4° | 57.7° |
| C60 | O24 | C65 | C64 | 67.5° | 61.2° |
| C60 | O24 | C65 | C66 | 169.8° | 58.7° |
| O24 | C60 | H61 | O18 | 119.7° | 120.1° |
| O24 | C60 | C61 | H62 | 68.0° | 177.5° |
| O24 | C60 | C61 | H63 | 172.8° | 62.3° |
| C60 | O24 | C65 | H71 | 50.8° | 178.8° |
| C61 | C62 | N9 | C63 | 120.4° | 120.2° |
| C61 | C62 | N9 | C64 | 119.4° | 119.6° |
| C61 | C62 | C63 | C64 | 120.7° | 119.6° |
| C61 | C62 | C64 | O23 | 173.6° | 62.9° |
| C61 | C62 | C64 | C65 | 52.3° | 57.0° |
| C62 | C61 | C60 | H61 | 171.7° | 62.3° |
| C62 | C61 | H62 | H63 | 118.7° | 120.1° |
| C61 | C62 | N9 | H64 | 180.0° | 60.0° |
| C61 | C62 | N9 | H65 | 60.0° | 176.0° |
| C61 | C62 | C63 | H66 | 180.0° | 59.9° |
| C61 | C62 | C63 | H67 | 60.0° | 179.9° |
| C61 | C62 | C63 | H68 | 60.0° | 60.0° |
| C61 | C62 | C64 | H69 | 66.1° | 177.0° |
| C62 | C61 | C60 | O18 | 68.3° | 177.6° |
| N9 | C62 | C63 | C64 | 119.6° | 120.2° |
| N9 | C62 | C64 | O23 | 67.0° | 177.2° |
| N9 | C62 | C64 | C65 | 171.7° | 62.9° |
| N9 | C62 | C61 | H62 | 47.3° | 57.1° |
| N9 | C62 | C61 | H63 | 71.8° | 177.2° |
| C62 | N9 | H64 | H65 | 120.0° | 124.0° |
| N9 | C62 | C63 | H66 | 60.4° | 179.8° |
| N9 | C62 | C63 | H67 | 59.6° | 59.8° |
| N9 | C62 | C63 | H68 | 179.7° | 60.2° |
| N9 | C62 | C64 | H69 | 53.2° | 57.1° |
| C63 | C62 | C64 | O23 | 52.1° | 57.0° |
| C63 | C62 | C64 | C65 | 69.1° | 176.9° |
| C63 | C62 | C61 | H62 | 166.5° | 63.1° |
| C63 | C62 | C61 | H63 | 47.4° | 57.0° |
| C63 | C62 | N9 | H64 | 59.6° | 60.2° |
| C63 | C62 | N9 | H65 | 179.6° | 63.8° |
| C62 | C63 | H66 | H67 | 120.0° | 120.0° |
| C62 | C63 | H66 | H68 | 120.0° | 120.0° |
| C62 | C63 | H67 | H68 | 120.0° | 120.0° |
| C63 | C62 | C64 | H69 | 172.4° | 63.1° |
| C62 | C64 | O23 | C65 | 121.2° | 119.7° |
| C62 | C64 | O23 | H69 | 119.3° | 120.1° |
| C62 | C64 | C65 | H69 | 118.5° | 120.0° |
| C62 | C64 | C65 | O24 | 61.3° | 57.6° |
| C62 | C64 | C65 | C66 | 177.9° | 62.4° |
| C64 | C62 | C61 | H62 | 72.1° | 176.9° |
| C64 | C62 | C61 | H63 | 168.7° | 63.0° |
| C64 | C62 | N9 | H64 | 60.6° | 179.5° |
| C64 | C62 | N9 | H65 | 59.4° | 56.5° |
| C64 | C62 | C63 | H66 | 59.3° | 59.7° |
| C64 | C62 | C63 | H67 | 179.3° | 60.3° |
| C64 | C62 | C63 | H68 | 60.7° | 179.6° |
| C62 | C64 | O23 | H70 | 180.0° | 180.0° |
| C62 | C64 | C65 | H71 | 58.1° | 177.6° |
| O23 | C64 | C65 | H69 | 120.6° | 120.1° |
| O23 | C64 | C65 | O24 | 177.8° | 62.3° |
| O23 | C64 | C65 | C66 | 57.0° | 177.7° |
| O23 | C64 | C65 | H71 | 62.9° | 57.7° |
| C64 | C65 | O24 | C66 | 122.7° | 119.9° |
| C64 | C65 | O24 | H71 | 118.3° | 120.0° |
| C64 | C65 | C66 | H71 | 119.9° | 120.0° |
| C65 | C64 | O23 | H70 | 58.8° | 60.3° |
| C64 | C65 | C66 | H72 | 180.0° | 49.6° |
| C64 | C65 | C66 | H73 | 60.0° | 169.6° |
| C64 | C65 | C66 | H74 | 60.0° | 70.4° |
| O24 | C65 | C66 | H71 | 120.1° | 120.1° |
| C65 | O24 | C60 | H61 | 178.9° | 58.7° |
| O24 | C65 | C64 | H69 | 57.2° | 177.6° |
| O24 | C65 | C66 | H72 | 60.0° | 169.5° |
| O24 | C65 | C66 | H73 | 60.0° | 70.5° |
| O24 | C65 | C66 | H74 | 180.0° | 49.5° |
| C65 | O24 | C60 | O18 | 59.0° | 178.9° |
| C66 | C65 | C64 | H69 | 63.6° | 57.6° |
| C65 | C66 | H72 | H73 | 120.0° | 120.0° |
| C65 | C66 | H72 | H74 | 120.0° | 120.0° |
| C65 | C66 | H73 | H74 | 120.0° | 120.0° |
| H61 | C60 | C61 | H62 | 51.3° | 57.5° |
| H61 | C60 | C61 | H63 | 67.8° | 177.7° |
| H62 | C61 | C60 | O18 | 171.3° | 62.5° |
| H63 | C61 | C60 | O18 | 52.1° | 57.7° |
| H66 | C63 | H67 | H68 | 120.0° | 120.0° |
| H69 | C64 | O23 | H70 | 60.8° | 59.9° |
| H69 | C64 | C65 | H71 | 176.5° | 62.4° |
| H71 | C65 | C66 | H72 | 60.1° | 70.4° |
| H71 | C65 | C66 | H73 | 179.9° | 49.6° |
| H71 | C65 | C66 | H74 | 59.9° | 169.5° |
| H72 | C66 | H73 | H74 | 120.0° | 120.0° |
| C68 | C67 | O26 | H75 | 118.4° | 119.9° |
| C68 | C67 | O26 | O13 | 122.6° | 120.0° |
| C67 | C68 | C69 | H76 | 120.5° | 120.0° |
| C67 | C68 | C69 | H77 | 120.5° | 119.9° |
| C67 | C68 | C69 | N10 | 164.2° | 62.9° |
| C67 | C68 | C69 | C70 | 76.2° | 176.9° |
| C67 | C68 | C69 | C71 | 45.1° | 56.9° |
| C68 | C67 | O26 | C72 | 60.7° | 61.2° |
| C68 | C67 | H75 | O13 | 121.2° | 120.0° |
| C67 | C68 | H76 | H77 | 118.4° | 120.1° |
| O26 | C67 | C68 | C69 | 46.9° | 57.6° |
| C67 | O26 | C72 | C71 | 70.5° | 61.2° |
| C67 | O26 | C72 | C73 | 168.3° | 58.8° |
| O26 | C67 | H75 | O13 | 118.4° | 120.1° |
| O26 | C67 | C68 | H76 | 73.6° | 177.5° |
| O26 | C67 | C68 | H77 | 167.5° | 62.3° |
| C67 | O26 | C72 | H85 | 47.8° | 178.8° |
| C68 | C69 | N10 | C70 | 121.0° | 120.2° |
| C68 | C69 | N10 | C71 | 118.8° | 119.5° |
| C68 | C69 | C70 | C71 | 120.5° | 119.6° |
| C68 | C69 | C71 | O25 | 177.2° | 63.0° |
| C68 | C69 | C71 | C72 | 55.1° | 56.9° |
| C69 | C68 | C67 | H75 | 166.3° | 62.4° |
| C69 | C68 | H76 | H77 | 118.4° | 120.1° |
| C68 | C69 | N10 | H78 | 180.0° | 60.0° |
| C68 | C69 | N10 | H79 | 60.0° | 176.1° |
| C68 | C69 | C70 | H80 | 180.0° | 60.1° |
| C68 | C69 | C70 | H81 | 60.0° | 180.0° |
| C68 | C69 | C70 | H82 | 60.0° | 60.0° |
| C68 | C69 | C71 | H83 | 62.6° | 176.9° |
| C69 | C68 | C67 | O13 | 73.9° | 177.5° |
| N10 | C69 | C70 | C71 | 119.5° | 120.2° |
| N10 | C69 | C71 | O25 | 63.7° | 177.2° |
| N10 | C69 | C71 | C72 | 174.1° | 62.9° |
| N10 | C69 | C68 | H76 | 43.7° | 57.1° |
| N10 | C69 | C68 | H77 | 75.3° | 177.2° |
| C69 | N10 | H78 | H79 | 120.0° | 123.9° |
| N10 | C69 | C70 | H80 | 60.0° | 179.8° |
| N10 | C69 | C70 | H81 | 60.0° | 59.9° |
| N10 | C69 | C70 | H82 | 180.0° | 60.1° |
| N10 | C69 | C71 | H83 | 56.5° | 57.1° |
| C70 | C69 | C71 | O25 | 55.4° | 57.0° |
| C70 | C69 | C71 | C72 | 66.7° | 176.9° |
| C70 | C69 | C68 | H76 | 163.3° | 63.1° |
| C70 | C69 | C68 | H77 | 44.3° | 57.0° |
| C70 | C69 | N10 | H78 | 59.0° | 60.1° |
| C70 | C69 | N10 | H79 | 179.0° | 63.8° |
| C69 | C70 | H80 | H81 | 120.0° | 119.9° |
| C69 | C70 | H80 | H82 | 120.0° | 120.1° |
| C69 | C70 | H81 | H82 | 120.0° | 120.0° |
| C70 | C69 | C71 | H83 | 175.6° | 63.1° |
| C69 | C71 | O25 | C72 | 121.2° | 119.7° |
| C69 | C71 | O25 | H83 | 119.2° | 120.1° |
| C69 | C71 | C72 | H83 | 117.6° | 120.0° |
| C69 | C71 | C72 | O26 | 66.9° | 57.6° |
| C69 | C71 | C72 | C73 | 173.4° | 62.4° |
| C71 | C69 | C68 | H76 | 75.4° | 176.9° |
| C71 | C69 | C68 | H77 | 165.7° | 63.0° |
| C71 | C69 | N10 | H78 | 61.2° | 179.6° |
| C71 | C69 | N10 | H79 | 58.8° | 56.5° |
| C71 | C69 | C70 | H80 | 59.5° | 59.6° |
| C71 | C69 | C70 | H81 | 179.6° | 60.3° |
| C71 | C69 | C70 | H82 | 60.5° | 179.7° |
| C69 | C71 | O25 | H84 | 180.0° | 180.0° |
| C69 | C71 | C72 | H85 | 52.4° | 177.6° |
| O25 | C71 | C72 | H83 | 120.5° | 120.1° |
| O25 | C71 | C72 | O26 | 171.3° | 62.3° |
| O25 | C71 | C72 | C73 | 51.6° | 177.7° |
| O25 | C71 | C72 | H85 | 69.4° | 57.7° |
| C71 | C72 | O26 | C73 | 121.2° | 119.9° |
| C71 | C72 | O26 | H85 | 118.2° | 120.0° |
| C71 | C72 | C73 | H85 | 121.1° | 120.0° |
| C72 | C71 | O25 | H84 | 58.8° | 60.3° |
| C71 | C72 | C73 | H86 | 180.0° | 50.9° |
| C71 | C72 | C73 | H87 | 60.0° | 170.9° |
| C71 | C72 | C73 | H88 | 60.0° | 69.1° |
| O26 | C72 | C73 | H85 | 121.7° | 120.1° |
| C72 | O26 | C67 | H75 | 179.0° | 58.8° |
| O26 | C72 | C71 | H83 | 50.7° | 177.6° |
| O26 | C72 | C73 | H86 | 62.8° | 170.8° |
| O26 | C72 | C73 | H87 | 57.2° | 69.2° |
| O26 | C72 | C73 | H88 | 177.3° | 50.8° |
| C72 | O26 | C67 | O13 | 62.0° | 178.9° |
| C73 | C72 | C71 | H83 | 69.0° | 57.6° |
| C72 | C73 | H86 | H87 | 120.0° | 120.0° |
| C72 | C73 | H86 | H88 | 120.0° | 120.1° |
| C72 | C73 | H87 | H88 | 120.0° | 120.0° |
| H75 | C67 | C68 | H76 | 45.8° | 57.5° |
| H75 | C67 | C68 | H77 | 73.1° | 177.7° |
| H76 | C68 | C67 | O13 | 165.6° | 62.5° |
| H77 | C68 | C67 | O13 | 46.7° | 57.6° |
| H80 | C70 | H81 | H82 | 120.0° | 120.0° |
| H83 | C71 | O25 | H84 | 60.8° | 59.9° |
| H83 | C71 | C72 | H85 | 170.1° | 62.4° |
| H85 | C72 | C73 | H86 | 58.9° | 69.1° |
| H85 | C72 | C73 | H87 | 178.9° | 50.9° |
| H85 | C72 | C73 | H88 | 61.1° | 170.9° |
| H86 | C73 | H87 | H88 | 120.0° | 120.0° |
