PRD_000204
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | O1 | doub | 1.21Å | 1.21Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.48Å | |
| 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 | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.57Å | |
| C9 | O2 | doub | 1.21Å | 1.22Å | |
| CL1 | C14 | sing | 1.74Å | 1.73Å | |
| C10 | O3 | sing | 1.43Å | 1.41Å | |
| C10 | C11 | sing | 1.50Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | O4 | sing | 1.37Å | 1.38Å | |
| 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 | 1.47Å | |
| N3 | H22 | sing | 0.98Å | 1.00Å | |
| C17 | C18 | sing | 1.50Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H23 | sing | 1.10Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.25Å | |
| 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 | 1.24Å | |
| C20 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | C21 | sing | 1.47Å | 1.47Å | |
| N5 | H28 | sing | 0.98Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C23 | sing | 1.51Å | 1.53Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.22Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | O8 | sing | 1.36Å | 1.40Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | C29 | sing | 1.46Å | 1.43Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.52Å | 1.55Å | |
| C29 | C31 | sing | 1.51Å | 1.53Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.41Å | 1.40Å | Aromatic |
| C34 | O10 | sing | 1.36Å | 1.37Å | |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| O10 | H35 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| N7 | C37 | sing | 1.45Å | 1.41Å | |
| O11 | C40 | sing | 1.37Å | 1.39Å | |
| C40 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C44 | sing | 1.50Å | 1.52Å | |
| C43 | C39 | sing | 1.39Å | 1.36Å | Aromatic |
| C39 | CL2 | sing | 1.74Å | 1.76Å | |
| C45 | O12 | doub | 1.22Å | 1.23Å | |
| C45 | C37 | sing | 1.51Å | 1.54Å | |
| C37 | C44 | sing | 1.53Å | 1.59Å | |
| C44 | O13 | sing | 1.43Å | 1.39Å | |
| 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 | |
| O13 | H44 | sing | 0.97Å | 0.95Å | |
| N8 | C52 | sing | 1.44Å | 1.45Å | |
| O14 | C46 | sing | 1.36Å | 1.36Å | |
| C46 | C47 | sing | 1.40Å | 1.40Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C47 | C51 | doub | 1.40Å | 1.40Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.37Å | Aromatic |
| C49 | O15 | sing | 1.36Å | 1.35Å | |
| C49 | C50 | doub | 1.39Å | 1.41Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.50Å | 1.53Å | |
| C52 | C53 | sing | 1.51Å | 1.57Å | |
| C53 | O16 | doub | 1.21Å | 1.27Å | |
| C53 | O17 | sing | 1.34Å | 1.21Å | |
| N8 | H45 | sing | 0.99Å | 1.00Å | |
| C52 | H46 | sing | 1.11Å | 1.10Å | |
| O14 | H47 | sing | 0.97Å | 0.95Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| O15 | H49 | sing | 0.97Å | 0.95Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| O17 | H51 | sing | 0.97Å | 0.95Å | |
| C54 | C55 | sing | 1.53Å | 1.50Å | |
| C54 | C59 | sing | 1.53Å | 1.48Å | |
| C54 | O18 | sing | 1.43Å | 1.44Å | |
| C54 | H52 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.56Å | |
| C55 | O19 | sing | 1.43Å | 1.41Å | |
| C55 | H53 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.54Å | |
| C56 | O20 | sing | 1.43Å | 1.43Å | |
| C56 | H54 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.58Å | |
| C57 | O21 | sing | 1.43Å | 1.41Å | |
| C57 | H55 | sing | 1.09Å | 1.10Å | |
| C58 | O22 | sing | 1.43Å | 1.37Å | |
| C58 | H56 | sing | 1.09Å | 1.10Å | |
| C58 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | O21 | sing | 1.43Å | 1.40Å | |
| C59 | H58 | sing | 1.09Å | 1.10Å | |
| O19 | H59 | sing | 0.97Å | 0.95Å | |
| O20 | H60 | sing | 0.97Å | 0.95Å | |
| O22 | H61 | sing | 0.97Å | 0.95Å | |
| C60 | C61 | sing | 1.53Å | 1.50Å | |
| C60 | O24 | sing | 1.43Å | 1.41Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C62 | N9 | sing | 1.47Å | 1.51Å | |
| C62 | C63 | sing | 1.53Å | 1.50Å | |
| C62 | C64 | sing | 1.53Å | 1.54Å | |
| C64 | O23 | sing | 1.43Å | 1.50Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| C65 | O24 | sing | 1.43Å | 1.42Å | |
| C65 | C66 | sing | 1.53Å | 1.54Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å | |
| C61 | H64 | sing | 1.09Å | 1.10Å | |
| N9 | H65 | sing | 1.01Å | 1.00Å | |
| N9 | H66 | sing | 1.01Å | 1.00Å | |
| C63 | H67 | sing | 1.09Å | 1.10Å | |
| C63 | H68 | sing | 1.09Å | 1.10Å | |
| C63 | H69 | sing | 1.09Å | 1.10Å | |
| C64 | H70 | sing | 1.09Å | 1.10Å | |
| O23 | H71 | sing | 0.97Å | 0.95Å | |
| C65 | H72 | sing | 1.09Å | 1.10Å | |
| C66 | H73 | sing | 1.09Å | 1.10Å | |
| C66 | H74 | sing | 1.09Å | 1.10Å | |
| C66 | H75 | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.34Å | 1.33Å | |
| O4 | C27 | sing | 1.37Å | 1.39Å | |
| C18 | N5 | sing | 1.35Å | 1.32Å | |
| C22 | N6 | sing | 1.34Å | 1.35Å | |
| C25 | O11 | sing | 1.37Å | 1.39Å | |
| C30 | N7 | sing | 1.34Å | 1.33Å | |
| C33 | C47 | sing | 1.48Å | 1.50Å | |
| C45 | N8 | sing | 1.33Å | 1.34Å | |
| O18 | C60 | sing | 1.43Å | 1.41Å | |
| O8 | C59 | sing | 1.43Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 114.0° | 111.0° |
| C1 | N1 | H1 | 108.3° | 111.0° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| N1 | C2 | C3 | 107.7° | 109.5° |
| N1 | C2 | C4 | 111.2° | 109.5° |
| C2 | N1 | H1 | 108.3° | 111.0° |
| N1 | C2 | H5 | 110.1° | 109.5° |
| C3 | C2 | C4 | 108.5° | 109.4° |
| C2 | C3 | O1 | 120.6° | 120.0° |
| C3 | C2 | H5 | 109.4° | 109.5° |
| C2 | C3 | N2 | 116.7° | 120.0° |
| C2 | C4 | C5 | 117.0° | 109.5° |
| C4 | C2 | H5 | 109.9° | 109.5° |
| C2 | C4 | H6 | 107.5° | 109.5° |
| C2 | C4 | H7 | 107.6° | 109.5° |
| O1 | C3 | N2 | 122.6° | 120.0° |
| C4 | C5 | C6 | 109.4° | 109.5° |
| C4 | C5 | C7 | 112.1° | 109.5° |
| C5 | C4 | H6 | 107.6° | 109.4° |
| C5 | C4 | H7 | 107.5° | 109.5° |
| C4 | C5 | H8 | 107.7° | 109.5° |
| C6 | C5 | C7 | 111.1° | 109.4° |
| C6 | C5 | H8 | 107.9° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C7 | C5 | H8 | 108.4° | 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 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H12 | C7 | H13 | 109.4° | 109.4° |
| H12 | C7 | H14 | 109.4° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| N2 | C8 | C9 | 114.7° | 109.3° |
| N2 | C8 | C10 | 112.9° | 109.3° |
| C8 | N2 | H15 | 119.9° | 120.0° |
| N2 | C8 | H16 | 107.5° | 109.0° |
| C8 | N2 | C3 | 120.3° | 120.0° |
| C9 | C8 | C10 | 108.4° | 111.4° |
| C8 | C9 | O2 | 119.2° | 118.6° |
| C9 | C8 | H16 | 106.5° | 108.9° |
| C8 | C9 | N3 | 117.0° | 120.6° |
| C8 | C10 | O3 | 110.9° | 109.6° |
| C8 | C10 | C11 | 112.3° | 109.3° |
| C10 | C8 | H16 | 106.2° | 109.0° |
| C8 | C10 | H17 | 106.5° | 109.4° |
| O2 | C9 | N3 | 123.8° | 120.8° |
| CL1 | C14 | C12 | 119.0° | 119.2° |
| CL1 | C14 | C16 | 120.5° | 120.8° |
| O3 | C10 | C11 | 111.1° | 110.1° |
| O3 | C10 | H17 | 108.4° | 109.3° |
| C10 | O3 | H18 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.5° | 120.2° |
| C10 | C11 | C13 | 121.9° | 120.0° |
| C11 | C10 | H17 | 107.3° | 109.1° |
| C12 | C11 | C13 | 118.6° | 119.8° |
| C11 | C12 | C14 | 120.2° | 120.0° |
| C11 | C12 | H19 | 119.9° | 121.0° |
| C11 | C13 | C15 | 120.1° | 120.4° |
| C11 | C13 | H20 | 120.0° | 119.6° |
| C12 | C14 | C16 | 120.5° | 120.0° |
| C14 | C12 | H19 | 119.9° | 119.0° |
| C13 | C15 | C16 | 120.4° | 119.7° |
| C15 | C13 | H20 | 120.0° | 120.0° |
| C13 | C15 | H21 | 119.8° | 120.2° |
| C14 | C16 | C15 | 119.9° | 120.0° |
| C14 | C16 | O4 | 121.0° | 118.4° |
| C15 | C16 | O4 | 119.1° | 121.5° |
| C16 | C15 | H21 | 119.8° | 120.1° |
| C16 | O4 | C27 | 116.0° | 108.4° |
| H15 | N2 | C3 | 119.9° | 120.0° |
| C17 | N3 | H22 | 119.3° | 118.2° |
| N3 | C17 | C18 | 113.5° | 113.5° |
| N3 | C17 | C19 | 111.0° | 110.3° |
| N3 | C17 | H23 | 105.7° | 107.9° |
| C17 | N3 | C9 | 121.4° | 124.9° |
| H22 | N3 | C9 | 119.3° | 116.9° |
| C18 | C17 | C19 | 115.4° | 109.5° |
| C18 | C17 | H23 | 105.0° | 107.6° |
| C17 | C18 | O5 | 118.5° | 120.2° |
| C17 | C18 | N5 | 117.7° | 119.2° |
| C19 | C17 | H23 | 105.1° | 107.8° |
| C17 | C19 | C20 | 115.4° | 109.5° |
| C17 | C19 | H24 | 108.0° | 109.5° |
| C17 | C19 | H25 | 108.0° | 109.5° |
| O5 | C18 | N5 | 123.8° | 120.6° |
| C20 | C19 | H24 | 108.0° | 109.5° |
| C20 | C19 | H25 | 108.0° | 109.4° |
| C19 | C20 | O6 | 121.7° | 120.0° |
| C19 | C20 | N4 | 114.8° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| O6 | C20 | N4 | 123.5° | 120.0° |
| C20 | N4 | H26 | 120.0° | 120.0° |
| C20 | N4 | H27 | 120.0° | 120.0° |
| H26 | N4 | H27 | 120.0° | 120.0° |
| C21 | N5 | H28 | 119.1° | 119.3° |
| N5 | C21 | C22 | 109.1° | 108.7° |
| N5 | C21 | C23 | 114.2° | 109.8° |
| N5 | C21 | H29 | 107.5° | 109.3° |
| C21 | N5 | C18 | 121.7° | 121.8° |
| H28 | N5 | C18 | 119.2° | 118.8° |
| C22 | C21 | C23 | 111.9° | 109.6° |
| C22 | C21 | H29 | 107.0° | 109.4° |
| C21 | C22 | O7 | 122.4° | 119.2° |
| C21 | C22 | N6 | 114.3° | 122.7° |
| C23 | C21 | H29 | 106.8° | 109.9° |
| C21 | C23 | C24 | 120.9° | 119.7° |
| C21 | C23 | C28 | 120.7° | 120.9° |
| O7 | C22 | N6 | 123.2° | 118.1° |
| C24 | C23 | C28 | 118.4° | 119.4° |
| C23 | C24 | C25 | 120.8° | 119.9° |
| C23 | C24 | H30 | 119.6° | 119.9° |
| C23 | C28 | C27 | 121.3° | 120.2° |
| C23 | C28 | H31 | 119.3° | 119.9° |
| C25 | C24 | H30 | 119.6° | 120.2° |
| C24 | C25 | C26 | 120.4° | 121.3° |
| C24 | C25 | O11 | 122.7° | 118.3° |
| C25 | C26 | O8 | 121.8° | 120.9° |
| C25 | C26 | C27 | 118.8° | 118.0° |
| C26 | C25 | O11 | 116.9° | 120.2° |
| O8 | C26 | C27 | 119.1° | 121.1° |
| C26 | O8 | C59 | 114.9° | 117.0° |
| C26 | C27 | C28 | 120.3° | 120.9° |
| C26 | C27 | O4 | 115.8° | 120.1° |
| C27 | C28 | H31 | 119.3° | 119.9° |
| C28 | C27 | O4 | 123.8° | 119.0° |
| C29 | N6 | H32 | 119.3° | 119.7° |
| N6 | C29 | C30 | 106.7° | 111.0° |
| N6 | C29 | C31 | 119.9° | 111.4° |
| N6 | C29 | H33 | 109.1° | 110.6° |
| C29 | N6 | C22 | 121.4° | 121.0° |
| H32 | N6 | C22 | 119.3° | 119.3° |
| C30 | C29 | C31 | 105.2° | 104.4° |
| C30 | C29 | H33 | 107.5° | 109.5° |
| C29 | C30 | O9 | 118.5° | 118.9° |
| C29 | C30 | N7 | 118.9° | 118.0° |
| C31 | C29 | H33 | 107.8° | 109.8° |
| C29 | C31 | C32 | 119.2° | 118.0° |
| C29 | C31 | C36 | 121.5° | 121.7° |
| O9 | C30 | N7 | 122.4° | 123.0° |
| C32 | C31 | C36 | 118.6° | 120.3° |
| C31 | C32 | C33 | 122.3° | 121.5° |
| C31 | C32 | H34 | 118.8° | 118.0° |
| C31 | C36 | C35 | 119.7° | 119.3° |
| C31 | C36 | H37 | 120.2° | 120.6° |
| C33 | C32 | H34 | 118.9° | 120.4° |
| C32 | C33 | C34 | 117.7° | 117.6° |
| C32 | C33 | C47 | 119.8° | 123.0° |
| C33 | C34 | O10 | 117.8° | 121.5° |
| C33 | C34 | C35 | 120.0° | 120.1° |
| C34 | C33 | C47 | 122.2° | 119.2° |
| O10 | C34 | C35 | 122.2° | 118.4° |
| C34 | O10 | H35 | 109.5° | 114.0° |
| C34 | C35 | C36 | 121.6° | 120.8° |
| C34 | C35 | H36 | 119.2° | 119.4° |
| C36 | C35 | H36 | 119.2° | 119.8° |
| C35 | C36 | H37 | 120.1° | 120.2° |
| N7 | C37 | C45 | 111.3° | 110.9° |
| N7 | C37 | C44 | 110.2° | 112.9° |
| C37 | N7 | H38 | 115.9° | 116.5° |
| N7 | C37 | H39 | 108.6° | 107.6° |
| C37 | N7 | C30 | 128.2° | 127.6° |
| O11 | C40 | C38 | 119.2° | 118.5° |
| O11 | C40 | C39 | 122.3° | 122.0° |
| C40 | O11 | C25 | 116.6° | 109.2° |
| C38 | C40 | C39 | 118.5° | 119.5° |
| C40 | C38 | C42 | 120.3° | 120.6° |
| C40 | C38 | H40 | 119.9° | 120.6° |
| C40 | C39 | C43 | 121.9° | 119.2° |
| C40 | C39 | CL2 | 120.0° | 120.3° |
| C38 | C42 | C41 | 120.5° | 119.4° |
| C42 | C38 | H40 | 119.8° | 118.8° |
| C38 | C42 | H41 | 119.7° | 120.4° |
| C42 | C41 | C43 | 118.9° | 119.6° |
| C42 | C41 | C44 | 122.3° | 118.8° |
| C41 | C42 | H41 | 119.8° | 120.2° |
| C43 | C41 | C44 | 118.4° | 121.6° |
| C41 | C43 | C39 | 119.6° | 120.9° |
| C41 | C43 | H42 | 120.2° | 119.4° |
| C41 | C44 | C37 | 105.0° | 110.3° |
| C41 | C44 | O13 | 111.5° | 110.1° |
| C41 | C44 | H43 | 109.8° | 108.8° |
| C43 | C39 | CL2 | 118.1° | 120.5° |
| C39 | C43 | H42 | 120.2° | 119.6° |
| O12 | C45 | C37 | 120.4° | 117.4° |
| O12 | C45 | N8 | 123.7° | 121.8° |
| C45 | C37 | C44 | 112.9° | 110.5° |
| C45 | C37 | H39 | 107.1° | 107.0° |
| C37 | C45 | N8 | 115.8° | 120.8° |
| C37 | C44 | O13 | 109.5° | 110.0° |
| C44 | C37 | H39 | 106.5° | 107.6° |
| C37 | C44 | H43 | 109.0° | 108.7° |
| O13 | C44 | H43 | 111.7° | 108.8° |
| C44 | O13 | H44 | 109.5° | 114.0° |
| H38 | N7 | C30 | 115.9° | 116.0° |
| N8 | C52 | C51 | 108.9° | 115.8° |
| N8 | C52 | C53 | 111.8° | 111.4° |
| C52 | N8 | H45 | 119.7° | 116.5° |
| N8 | C52 | H46 | 108.6° | 107.7° |
| C52 | N8 | C45 | 120.7° | 128.1° |
| O14 | C46 | C47 | 122.4° | 121.3° |
| O14 | C46 | C48 | 116.9° | 117.9° |
| C46 | O14 | H47 | 109.5° | 114.0° |
| C47 | C46 | C48 | 120.6° | 120.8° |
| C46 | C47 | C51 | 118.8° | 118.3° |
| C46 | C47 | C33 | 119.9° | 118.9° |
| C46 | C48 | C49 | 120.2° | 119.8° |
| C46 | C48 | H48 | 119.9° | 119.9° |
| C47 | C51 | C50 | 120.2° | 119.1° |
| C47 | C51 | C52 | 119.4° | 122.3° |
| C51 | C47 | C33 | 121.2° | 122.7° |
| C48 | C49 | O15 | 124.3° | 120.6° |
| C48 | C49 | C50 | 119.3° | 119.5° |
| C49 | C48 | H48 | 119.9° | 120.3° |
| O15 | C49 | C50 | 116.4° | 119.9° |
| C49 | O15 | H49 | 109.5° | 113.9° |
| C49 | C50 | C51 | 120.7° | 121.2° |
| C49 | C50 | H50 | 119.6° | 115.8° |
| C50 | C51 | C52 | 120.4° | 118.3° |
| C51 | C50 | H50 | 119.7° | 122.9° |
| C51 | C52 | C53 | 112.5° | 110.1° |
| C51 | C52 | H46 | 107.7° | 106.2° |
| C52 | C53 | O16 | 113.1° | 120.0° |
| C52 | C53 | O17 | 119.0° | 120.0° |
| C53 | C52 | H46 | 107.2° | 104.8° |
| O16 | C53 | O17 | 127.9° | 120.0° |
| C53 | O17 | H51 | 109.5° | 117.0° |
| H45 | N8 | C45 | 119.7° | 115.3° |
| C55 | C54 | C59 | 112.7° | 109.2° |
| C55 | C54 | O18 | 107.5° | 109.6° |
| C55 | C54 | H52 | 108.2° | 109.5° |
| C54 | C55 | C56 | 107.6° | 109.0° |
| C54 | C55 | O19 | 112.4° | 109.5° |
| C54 | C55 | H53 | 108.7° | 109.5° |
| C59 | C54 | O18 | 110.9° | 109.5° |
| C59 | C54 | H52 | 108.5° | 109.5° |
| C54 | C59 | O21 | 108.9° | 109.5° |
| C54 | C59 | H58 | 109.5° | 109.4° |
| C54 | C59 | O8 | 109.2° | 109.5° |
| O18 | C54 | H52 | 109.0° | 109.6° |
| C54 | O18 | C60 | 116.0° | 114.0° |
| C56 | C55 | O19 | 110.0° | 109.5° |
| C56 | C55 | H53 | 108.0° | 109.6° |
| C55 | C56 | C57 | 109.4° | 109.1° |
| C55 | C56 | O20 | 110.0° | 109.5° |
| C55 | C56 | H54 | 109.4° | 109.5° |
| O19 | C55 | H53 | 109.9° | 109.6° |
| C55 | O19 | H59 | 109.5° | 113.9° |
| C57 | C56 | O20 | 107.2° | 109.5° |
| C57 | C56 | H54 | 109.6° | 109.6° |
| C56 | C57 | C58 | 113.8° | 109.5° |
| C56 | C57 | O21 | 110.5° | 109.4° |
| C56 | C57 | H55 | 108.7° | 109.5° |
| O20 | C56 | H54 | 111.3° | 109.6° |
| C56 | O20 | H60 | 109.5° | 114.0° |
| C58 | C57 | O21 | 105.2° | 109.5° |
| C58 | C57 | H55 | 108.2° | 109.4° |
| C57 | C58 | O22 | 112.9° | 109.5° |
| C57 | C58 | H56 | 108.6° | 109.5° |
| C57 | C58 | H57 | 108.6° | 109.5° |
| O21 | C57 | H55 | 110.4° | 109.4° |
| C57 | O21 | C59 | 113.1° | 114.1° |
| O22 | C58 | H56 | 108.6° | 109.5° |
| O22 | C58 | H57 | 108.6° | 109.4° |
| C58 | O22 | H61 | 109.5° | 114.0° |
| H56 | C58 | H57 | 109.5° | 109.4° |
| O21 | C59 | H58 | 110.6° | 109.5° |
| O21 | C59 | O8 | 108.3° | 109.5° |
| H58 | C59 | O8 | 110.3° | 109.5° |
| C61 | C60 | O24 | 116.7° | 109.4° |
| C60 | C61 | C62 | 112.2° | 109.2° |
| C61 | C60 | H62 | 107.5° | 109.5° |
| C60 | C61 | H63 | 108.8° | 109.5° |
| C60 | C61 | H64 | 108.8° | 109.5° |
| C61 | C60 | O18 | 105.5° | 109.5° |
| C60 | O24 | C65 | 114.5° | 114.1° |
| O24 | C60 | H62 | 108.7° | 109.5° |
| O24 | C60 | O18 | 109.4° | 109.5° |
| C61 | C62 | N9 | 107.2° | 109.6° |
| C61 | C62 | C63 | 113.6° | 109.6° |
| C61 | C62 | C64 | 111.6° | 109.1° |
| C62 | C61 | H63 | 108.8° | 109.5° |
| C62 | C61 | H64 | 108.8° | 109.5° |
| N9 | C62 | C63 | 105.2° | 109.5° |
| N9 | C62 | C64 | 108.2° | 109.5° |
| C62 | N9 | H65 | 109.5° | 111.0° |
| C62 | N9 | H66 | 109.5° | 111.0° |
| C63 | C62 | C64 | 110.6° | 109.6° |
| C62 | C63 | H67 | 109.5° | 109.5° |
| C62 | C63 | H68 | 109.5° | 109.5° |
| C62 | C63 | H69 | 109.5° | 109.4° |
| C62 | C64 | O23 | 100.5° | 109.5° |
| C62 | C64 | C65 | 109.1° | 109.1° |
| C62 | C64 | H70 | 111.8° | 109.5° |
| O23 | C64 | C65 | 110.5° | 109.5° |
| O23 | C64 | H70 | 112.4° | 109.6° |
| C64 | O23 | H71 | 109.5° | 114.0° |
| C64 | C65 | O24 | 109.5° | 109.4° |
| C64 | C65 | C66 | 113.1° | 109.5° |
| C65 | C64 | H70 | 112.0° | 109.6° |
| C64 | C65 | H72 | 108.7° | 109.5° |
| O24 | C65 | C66 | 106.9° | 109.5° |
| O24 | C65 | H72 | 110.1° | 109.5° |
| C66 | C65 | H72 | 108.6° | 109.5° |
| C65 | C66 | H73 | 109.5° | 109.5° |
| C65 | C66 | H74 | 109.4° | 109.5° |
| C65 | C66 | H75 | 109.5° | 109.5° |
| H62 | C60 | O18 | 108.8° | 109.5° |
| H63 | C61 | H64 | 109.5° | 109.6° |
| H65 | N9 | H66 | 109.5° | 111.0° |
| H67 | C63 | H68 | 109.5° | 109.5° |
| H67 | C63 | H69 | 109.5° | 109.5° |
| H68 | C63 | H69 | 109.5° | 109.5° |
| H73 | C66 | H74 | 109.5° | 109.4° |
| H73 | C66 | H75 | 109.4° | 109.4° |
| H74 | C66 | H75 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 120.7° | 124.0° |
| C1 | N1 | C2 | C3 | 57.7° | 87.3° |
| C1 | N1 | C2 | C4 | 176.5° | 152.7° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H4 | 120.0° | 120.0° |
| N1 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | N1 | C2 | H5 | 61.5° | 32.7° |
| N1 | C2 | C3 | C4 | 120.5° | 120.0° |
| N1 | C2 | C3 | H5 | 119.7° | 120.0° |
| N1 | C2 | C4 | H5 | 122.1° | 120.0° |
| N1 | C2 | C3 | O1 | 52.9° | 25.7° |
| N1 | C2 | C4 | C5 | 60.6° | 64.1° |
| C2 | N1 | C1 | H2 | 180.0° | 175.1° |
| C2 | N1 | C1 | H3 | 60.0° | 64.9° |
| C2 | N1 | C1 | H4 | 60.0° | 55.1° |
| N1 | C2 | C4 | H6 | 178.3° | 176.0° |
| N1 | C2 | C4 | H7 | 60.5° | 55.9° |
| N1 | C2 | C3 | N2 | 130.0° | 154.2° |
| C3 | C2 | C4 | H5 | 119.6° | 120.0° |
| C2 | C3 | O1 | N2 | 177.0° | 180.0° |
| C3 | C2 | C4 | C5 | 178.9° | 176.0° |
| C3 | C2 | N1 | H1 | 63.0° | 36.7° |
| C3 | C2 | C4 | H6 | 60.1° | 56.0° |
| C3 | C2 | C4 | H7 | 57.8° | 64.1° |
| C2 | C3 | N2 | C8 | 177.7° | 180.0° |
| C2 | C3 | N2 | H15 | 2.3° | 0.0° |
| C4 | C2 | C3 | O1 | 67.6° | 94.2° |
| C2 | C4 | C5 | H6 | 121.1° | 120.0° |
| C2 | C4 | C5 | H7 | 121.1° | 120.0° |
| C2 | C4 | C5 | C6 | 178.8° | 65.2° |
| C2 | C4 | C5 | C7 | 57.5° | 174.8° |
| C4 | C2 | N1 | H1 | 55.8° | 83.3° |
| C2 | C4 | H6 | H7 | 116.6° | 120.0° |
| C2 | C4 | C5 | H8 | 61.7° | 54.8° |
| C4 | C2 | C3 | N2 | 109.6° | 85.8° |
| O1 | C3 | C2 | H5 | 172.5° | 145.8° |
| O1 | C3 | N2 | C8 | 5.2° | 0.1° |
| O1 | C3 | N2 | H15 | 174.8° | 180.0° |
| C4 | C5 | C6 | C7 | 124.4° | 120.0° |
| C4 | C5 | C6 | H8 | 116.9° | 120.0° |
| C4 | C5 | C7 | H8 | 118.7° | 120.0° |
| C5 | C4 | C2 | H5 | 61.6° | 55.9° |
| C5 | C4 | H6 | H7 | 116.6° | 120.0° |
| C4 | C5 | C6 | H9 | 180.0° | 59.9° |
| C4 | C5 | C6 | H10 | 60.0° | 180.0° |
| C4 | C5 | C6 | H11 | 60.0° | 60.0° |
| C4 | C5 | C7 | H12 | 180.0° | 64.9° |
| C4 | C5 | C7 | H13 | 60.0° | 175.1° |
| C4 | C5 | C7 | H14 | 60.0° | 55.1° |
| C6 | C5 | C7 | H8 | 118.5° | 120.0° |
| C6 | C5 | C4 | H6 | 60.2° | 54.8° |
| C6 | C5 | C4 | H7 | 57.6° | 174.8° |
| C5 | C6 | H9 | H10 | 120.0° | 120.1° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H12 | 57.2° | 175.1° |
| C6 | C5 | C7 | H13 | 177.2° | 55.1° |
| C6 | C5 | C7 | H14 | 62.8° | 64.9° |
| C7 | C5 | C4 | H6 | 63.6° | 65.2° |
| C7 | C5 | C4 | H7 | 178.6° | 54.8° |
| C7 | C5 | C6 | H9 | 55.6° | 60.0° |
| C7 | C5 | C6 | H10 | 64.4° | 60.0° |
| C7 | C5 | C6 | H11 | 175.6° | 180.0° |
| C5 | C7 | H12 | H13 | 120.0° | 120.0° |
| C5 | C7 | H12 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| H1 | N1 | C1 | H2 | 59.3° | 61.0° |
| H1 | N1 | C1 | H3 | 60.7° | 59.0° |
| H1 | N1 | C1 | H4 | 179.3° | 179.0° |
| H1 | N1 | C2 | H5 | 177.8° | 156.7° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H5 | C2 | C4 | H6 | 59.5° | 64.0° |
| H5 | C2 | C4 | H7 | 177.3° | 175.9° |
| H5 | C2 | C3 | N2 | 10.3° | 34.2° |
| H6 | C4 | C5 | H8 | 177.2° | 174.8° |
| H7 | C4 | C5 | H8 | 59.4° | 65.2° |
| H8 | C5 | C6 | H9 | 63.1° | 180.0° |
| H8 | C5 | C6 | H10 | 176.9° | 60.0° |
| H8 | C5 | C6 | H11 | 56.9° | 60.0° |
| H8 | C5 | C7 | H12 | 61.3° | 55.1° |
| H8 | C5 | C7 | H13 | 58.7° | 64.9° |
| H8 | C5 | C7 | H14 | 178.8° | 175.1° |
| H9 | C6 | H10 | H11 | 120.0° | 119.9° |
| H12 | C7 | H13 | H14 | 120.0° | 119.9° |
| N2 | C8 | C9 | C10 | 127.2° | 120.8° |
| N2 | C8 | C9 | H16 | 118.8° | 119.0° |
| N2 | C8 | C10 | H16 | 117.6° | 119.0° |
| N2 | C8 | C9 | O2 | 177.9° | 47.0° |
| N2 | C8 | C10 | O3 | 52.7° | 29.6° |
| N2 | C8 | C10 | C11 | 72.2° | 150.3° |
| C8 | N2 | H15 | C3 | 180.0° | 179.9° |
| N2 | C8 | C10 | H17 | 170.6° | 90.2° |
| N2 | C8 | C9 | N3 | 1.4° | 133.7° |
| C9 | C8 | C10 | H16 | 114.2° | 120.2° |
| C8 | C9 | O2 | N3 | 179.2° | 179.4° |
| C9 | C8 | C10 | O3 | 179.1° | 91.2° |
| C9 | C8 | C10 | C11 | 56.0° | 29.5° |
| C9 | C8 | N2 | H15 | 91.1° | 95.0° |
| C9 | C8 | C10 | H17 | 61.2° | 148.9° |
| C8 | C9 | N3 | C17 | 167.8° | 163.3° |
| C8 | C9 | N3 | H22 | 12.3° | 15.9° |
| C9 | C8 | N2 | C3 | 88.9° | 85.0° |
| C10 | C8 | C9 | O2 | 54.9° | 73.9° |
| C8 | C10 | O3 | C11 | 125.6° | 120.2° |
| C8 | C10 | O3 | H17 | 116.7° | 119.9° |
| C8 | C10 | C11 | H17 | 116.7° | 119.6° |
| C8 | C10 | C11 | C12 | 100.8° | 118.8° |
| C8 | C10 | C11 | C13 | 78.8° | 61.8° |
| C10 | C8 | N2 | H15 | 33.8° | 27.1° |
| C8 | C10 | O3 | H18 | 180.0° | 180.0° |
| C10 | C8 | N2 | C3 | 146.2° | 153.0° |
| C10 | C8 | C9 | N3 | 125.8° | 105.5° |
| O2 | C9 | C8 | H16 | 59.1° | 165.9° |
| O2 | C9 | N3 | C17 | 11.5° | 17.3° |
| O2 | C9 | N3 | H22 | 168.5° | 163.5° |
| CL1 | C14 | C12 | C11 | 178.8° | 177.4° |
| CL1 | C14 | C12 | C16 | 179.7° | 179.3° |
| CL1 | C14 | C16 | C15 | 175.2° | 175.6° |
| CL1 | C14 | C16 | O4 | 5.7° | 7.3° |
| CL1 | C14 | C12 | H19 | 1.2° | 3.4° |
| O3 | C10 | C11 | H17 | 118.4° | 120.0° |
| O3 | C10 | C11 | C12 | 134.3° | 1.6° |
| O3 | C10 | C11 | C13 | 46.0° | 177.8° |
| O3 | C10 | C8 | H16 | 64.9° | 148.6° |
| C10 | C11 | C12 | C13 | 179.7° | 179.4° |
| C10 | C11 | C12 | C14 | 175.4° | 179.4° |
| C10 | C11 | C13 | C15 | 173.8° | 178.0° |
| C11 | C10 | C8 | H16 | 170.1° | 90.7° |
| C11 | C10 | O3 | H18 | 54.4° | 59.8° |
| C10 | C11 | C12 | H19 | 4.6° | 0.2° |
| C10 | C11 | C13 | H20 | 6.2° | 2.8° |
| C11 | C12 | C14 | H19 | 180.0° | 179.2° |
| C12 | C11 | C13 | C15 | 5.9° | 2.6° |
| C11 | C12 | C14 | C16 | 0.9° | 1.9° |
| C12 | C11 | C10 | H17 | 15.9° | 121.5° |
| C12 | C11 | C13 | H20 | 174.1° | 176.6° |
| C13 | C11 | C12 | C14 | 4.3° | 1.2° |
| C11 | C13 | C15 | H20 | 180.0° | 179.1° |
| C11 | C13 | C15 | C16 | 2.3° | 0.8° |
| C13 | C11 | C10 | H17 | 164.4° | 57.9° |
| C13 | C11 | C12 | H19 | 175.7° | 179.6° |
| C11 | C13 | C15 | H21 | 177.7° | 179.5° |
| C12 | C14 | C16 | C15 | 4.6° | 3.7° |
| C12 | C14 | C16 | O4 | 174.5° | 173.4° |
| C13 | C15 | C16 | C14 | 2.9° | 2.4° |
| C13 | C15 | C16 | H21 | 180.0° | 179.7° |
| C13 | C15 | C16 | O4 | 176.2° | 174.7° |
| C14 | C16 | C15 | O4 | 179.1° | 177.1° |
| C16 | C14 | C12 | H19 | 179.1° | 177.3° |
| C14 | C16 | C15 | H21 | 177.1° | 177.4° |
| C14 | C16 | O4 | C27 | 80.2° | 63.2° |
| C16 | C15 | C13 | H20 | 177.6° | 178.3° |
| C15 | C16 | O4 | C27 | 98.9° | 113.9° |
| O4 | C16 | C15 | H21 | 3.8° | 5.5° |
| C16 | O4 | C27 | C26 | 175.9° | 116.2° |
| C16 | O4 | C27 | C28 | 1.7° | 63.7° |
| H15 | N2 | C8 | H16 | 150.6° | 146.1° |
| H16 | C8 | C10 | H17 | 52.9° | 28.8° |
| H16 | C8 | N2 | C3 | 29.3° | 34.0° |
| H16 | C8 | C9 | N3 | 120.2° | 14.7° |
| H17 | C10 | O3 | H18 | 63.4° | 60.1° |
| H20 | C13 | C15 | H21 | 2.4° | 1.4° |
| C17 | N3 | H22 | C9 | 180.0° | 179.3° |
| N3 | C17 | C18 | C19 | 129.8° | 123.7° |
| N3 | C17 | C18 | H23 | 115.0° | 119.3° |
| N3 | C17 | C19 | H23 | 113.8° | 117.5° |
| N3 | C17 | C18 | O5 | 111.1° | 37.9° |
| N3 | C17 | C19 | C20 | 49.7° | 65.0° |
| N3 | C17 | C19 | H24 | 170.5° | 55.0° |
| N3 | C17 | C19 | H25 | 71.2° | 175.0° |
| N3 | C17 | C18 | N5 | 69.1° | 142.2° |
| H22 | N3 | C17 | C18 | 79.3° | 110.5° |
| H22 | N3 | C17 | C19 | 52.6° | 126.2° |
| H22 | N3 | C17 | H23 | 166.1° | 8.6° |
| C18 | C17 | C19 | H23 | 115.2° | 116.9° |
| C17 | C18 | O5 | N5 | 179.8° | 179.9° |
| C18 | C17 | C19 | C20 | 81.3° | 169.4° |
| C18 | C17 | C19 | H24 | 39.5° | 70.6° |
| C18 | C17 | C19 | H25 | 157.8° | 49.4° |
| C17 | C18 | N5 | C21 | 168.7° | 171.8° |
| C17 | C18 | N5 | H28 | 11.3° | 8.5° |
| C18 | C17 | N3 | C9 | 100.7° | 70.2° |
| C19 | C17 | C18 | O5 | 119.1° | 85.8° |
| C17 | C19 | C20 | H24 | 120.9° | 120.0° |
| C17 | C19 | C20 | H25 | 120.9° | 120.0° |
| C17 | C19 | H24 | H25 | 117.3° | 120.0° |
| C17 | C19 | C20 | O6 | 12.7° | 0.0° |
| C17 | C19 | C20 | N4 | 167.5° | 180.0° |
| C19 | C17 | N3 | C9 | 127.4° | 53.1° |
| C19 | C17 | C18 | N5 | 60.7° | 94.1° |
| H23 | C17 | C18 | O5 | 3.9° | 157.2° |
| H23 | C17 | C19 | C20 | 163.5° | 52.5° |
| H23 | C17 | C19 | H24 | 75.6° | 172.5° |
| H23 | C17 | C19 | H25 | 42.6° | 67.5° |
| H23 | C17 | N3 | C9 | 13.9° | 170.6° |
| H23 | C17 | C18 | N5 | 175.9° | 22.8° |
| O5 | C18 | N5 | C21 | 11.1° | 8.1° |
| O5 | C18 | N5 | H28 | 168.9° | 171.6° |
| C20 | C19 | H24 | H25 | 117.3° | 120.0° |
| C19 | C20 | O6 | N4 | 179.9° | 180.0° |
| C19 | C20 | N4 | H26 | 179.9° | 0.0° |
| C19 | C20 | N4 | H27 | 0.2° | 180.0° |
| H24 | C19 | C20 | O6 | 108.2° | 120.0° |
| H24 | C19 | C20 | N4 | 71.7° | 60.0° |
| H25 | C19 | C20 | O6 | 133.5° | 120.0° |
| H25 | C19 | C20 | N4 | 46.6° | 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° | 179.7° |
| N5 | C21 | C22 | C23 | 127.3° | 120.0° |
| N5 | C21 | C22 | H29 | 116.0° | 119.3° |
| N5 | C21 | C23 | H29 | 118.7° | 120.3° |
| N5 | C21 | C22 | O7 | 43.4° | 41.2° |
| N5 | C21 | C23 | C24 | 163.2° | 157.2° |
| N5 | C21 | C23 | C28 | 19.4° | 22.4° |
| N5 | C21 | C22 | N6 | 140.4° | 138.8° |
| H28 | N5 | C21 | C22 | 50.6° | 115.6° |
| H28 | N5 | C21 | C23 | 75.4° | 124.5° |
| H28 | N5 | C21 | H29 | 166.3° | 3.8° |
| C22 | C21 | C23 | H29 | 116.8° | 120.3° |
| C21 | C22 | O7 | N6 | 175.9° | 180.0° |
| C22 | C21 | C23 | C24 | 38.6° | 37.9° |
| C22 | C21 | C23 | C28 | 143.9° | 141.8° |
| C21 | C22 | N6 | C29 | 161.8° | 179.5° |
| C21 | C22 | N6 | H32 | 18.2° | 0.2° |
| C22 | C21 | N5 | C18 | 129.4° | 64.7° |
| C23 | C21 | C22 | O7 | 84.0° | 78.8° |
| C21 | C23 | C24 | C28 | 177.5° | 179.6° |
| C21 | C23 | C24 | C25 | 179.0° | 178.1° |
| C21 | C23 | C24 | H30 | 1.0° | 2.6° |
| C21 | C23 | C28 | C27 | 177.5° | 179.6° |
| C21 | C23 | C28 | H31 | 2.5° | 0.7° |
| C23 | C21 | N5 | C18 | 104.6° | 55.2° |
| C23 | C21 | C22 | N6 | 92.3° | 101.2° |
| H29 | C21 | C22 | O7 | 159.4° | 160.6° |
| H29 | C21 | C23 | C24 | 78.2° | 82.4° |
| H29 | C21 | C23 | C28 | 99.3° | 97.9° |
| H29 | C21 | N5 | C18 | 13.7° | 175.9° |
| H29 | C21 | C22 | N6 | 24.4° | 19.4° |
| O7 | C22 | N6 | C29 | 14.4° | 0.5° |
| O7 | C22 | N6 | H32 | 165.6° | 179.8° |
| C23 | C24 | C25 | H30 | 180.0° | 179.3° |
| C23 | C24 | C25 | C26 | 2.6° | 5.1° |
| C24 | C23 | C28 | C27 | 0.0° | 0.0° |
| C24 | C23 | C28 | H31 | 180.0° | 179.7° |
| C23 | C24 | C25 | O11 | 175.6° | 170.3° |
| C28 | C23 | C24 | C25 | 1.5° | 1.5° |
| C28 | C23 | C24 | H30 | 178.5° | 177.8° |
| C23 | C28 | C27 | C26 | 0.3° | 2.1° |
| C23 | C28 | C27 | H31 | 180.0° | 179.7° |
| C23 | C28 | C27 | O4 | 177.8° | 177.8° |
| C24 | C25 | C26 | O11 | 178.3° | 175.4° |
| C24 | C25 | C26 | O8 | 175.8° | 174.1° |
| C24 | C25 | C26 | C27 | 2.2° | 7.1° |
| C24 | C25 | O11 | C40 | 19.5° | 49.5° |
| H30 | C24 | C25 | C26 | 177.3° | 174.1° |
| H30 | C24 | C25 | O11 | 4.4° | 10.4° |
| C25 | C26 | O8 | C27 | 173.5° | 178.8° |
| C25 | C26 | C27 | C28 | 0.8° | 5.6° |
| C26 | C25 | O11 | C40 | 158.8° | 126.1° |
| C25 | C26 | C27 | O4 | 176.9° | 174.4° |
| C25 | C26 | O8 | C59 | 73.1° | 85.2° |
| O8 | C26 | C27 | C28 | 174.5° | 175.6° |
| C26 | O8 | C59 | C54 | 167.6° | 176.0° |
| C26 | O8 | C59 | O21 | 73.9° | 64.0° |
| C26 | O8 | C59 | H58 | 47.3° | 56.1° |
| O8 | C26 | C27 | O4 | 3.2° | 4.5° |
| O8 | C26 | C25 | O11 | 2.6° | 10.6° |
| C26 | C27 | C28 | O4 | 177.5° | 179.9° |
| C26 | C27 | C28 | H31 | 179.6° | 177.6° |
| C27 | C26 | C25 | O11 | 176.1° | 168.3° |
| C27 | C26 | O8 | C59 | 113.4° | 95.9° |
| H31 | C28 | C27 | O4 | 2.1° | 2.5° |
| C29 | N6 | H32 | C22 | 180.0° | 179.7° |
| N6 | C29 | C30 | C31 | 128.4° | 120.1° |
| N6 | C29 | C30 | H33 | 116.9° | 122.4° |
| N6 | C29 | C31 | H33 | 125.4° | 122.8° |
| N6 | C29 | C30 | O9 | 25.6° | 20.3° |
| N6 | C29 | C31 | C32 | 124.8° | 79.1° |
| N6 | C29 | C31 | C36 | 65.0° | 101.1° |
| N6 | C29 | C30 | N7 | 158.2° | 161.8° |
| H32 | N6 | C29 | C30 | 27.5° | 107.5° |
| H32 | N6 | C29 | C31 | 91.8° | 8.4° |
| H32 | N6 | C29 | H33 | 143.4° | 130.7° |
| C30 | C29 | C31 | H33 | 114.5° | 117.3° |
| C29 | C30 | O9 | N7 | 176.1° | 177.8° |
| C30 | C29 | C31 | C32 | 115.2° | 40.7° |
| C30 | C29 | C31 | C36 | 55.0° | 139.0° |
| C29 | C30 | N7 | C37 | 6.0° | 168.3° |
| C29 | C30 | N7 | H38 | 174.0° | 12.1° |
| C30 | C29 | N6 | C22 | 152.5° | 72.8° |
| C31 | C29 | C30 | O9 | 102.8° | 99.9° |
| C29 | C31 | C32 | C36 | 170.5° | 179.8° |
| C29 | C31 | C32 | C33 | 166.1° | 171.8° |
| C29 | C31 | C32 | H34 | 13.9° | 11.2° |
| C29 | C31 | C36 | C35 | 165.9° | 175.3° |
| C29 | C31 | C36 | H37 | 14.1° | 4.7° |
| C31 | C29 | N6 | C22 | 88.2° | 171.3° |
| C31 | C29 | C30 | N7 | 73.4° | 78.1° |
| H33 | C29 | C30 | O9 | 142.5° | 142.7° |
| H33 | C29 | C31 | C32 | 0.7° | 158.0° |
| H33 | C29 | C31 | C36 | 169.5° | 21.7° |
| H33 | C29 | N6 | C22 | 36.6° | 49.0° |
| H33 | C29 | C30 | N7 | 41.3° | 39.4° |
| O9 | C30 | N7 | C37 | 177.9° | 9.6° |
| O9 | C30 | N7 | H38 | 2.1° | 170.0° |
| C31 | C32 | C33 | H34 | 180.0° | 176.9° |
| C31 | C32 | C33 | C34 | 0.9° | 5.2° |
| C32 | C31 | C36 | C35 | 4.4° | 4.5° |
| C32 | C31 | C36 | H37 | 175.6° | 175.5° |
| C31 | C32 | C33 | C47 | 173.3° | 169.6° |
| C36 | C31 | C32 | C33 | 4.3° | 8.0° |
| C36 | C31 | C32 | H34 | 175.7° | 169.0° |
| C31 | C36 | C35 | C34 | 1.1° | 1.5° |
| C31 | C36 | C35 | H37 | 180.0° | 180.0° |
| C31 | C36 | C35 | H36 | 178.9° | 177.5° |
| C32 | C33 | C34 | C47 | 174.1° | 175.0° |
| C32 | C33 | C34 | O10 | 177.6° | 177.3° |
| C32 | C33 | C34 | C35 | 2.5° | 0.8° |
| C32 | C33 | C47 | C46 | 86.6° | 142.2° |
| C32 | C33 | C47 | C51 | 91.5° | 35.7° |
| H34 | C32 | C33 | C34 | 179.1° | 171.7° |
| H34 | C32 | C33 | C47 | 6.7° | 13.5° |
| C33 | C34 | O10 | C35 | 179.9° | 178.2° |
| C33 | C34 | O10 | H35 | 180.0° | 96.7° |
| C33 | C34 | C35 | C36 | 2.4° | 4.1° |
| C33 | C34 | C35 | H36 | 177.6° | 174.9° |
| C34 | C33 | C47 | C46 | 99.4° | 43.1° |
| C34 | C33 | C47 | C51 | 82.5° | 139.1° |
| O10 | C34 | C35 | C36 | 177.6° | 174.1° |
| O10 | C34 | C35 | H36 | 2.3° | 6.9° |
| O10 | C34 | C33 | C47 | 3.5° | 2.3° |
| C35 | C34 | O10 | H35 | 0.0° | 85.1° |
| C34 | C35 | C36 | H36 | 180.0° | 179.0° |
| C34 | C35 | C36 | H37 | 178.9° | 178.5° |
| C35 | C34 | C33 | C47 | 176.6° | 175.8° |
| H36 | C35 | C36 | H37 | 1.1° | 2.5° |
| N7 | C37 | C44 | C41 | 56.5° | 61.2° |
| N7 | C37 | C45 | O12 | 26.6° | 172.0° |
| N7 | C37 | C45 | C44 | 124.6° | 126.0° |
| N7 | C37 | C45 | H39 | 118.6° | 117.1° |
| N7 | C37 | C44 | H39 | 117.6° | 118.7° |
| N7 | C37 | C44 | O13 | 63.4° | 177.1° |
| C37 | N7 | H38 | C30 | 180.0° | 179.6° |
| N7 | C37 | C44 | H43 | 174.1° | 58.1° |
| N7 | C37 | C45 | N8 | 149.0° | 8.9° |
| O11 | C40 | C38 | C39 | 178.8° | 177.9° |
| O11 | C40 | C38 | C42 | 178.9° | 173.9° |
| O11 | C40 | C39 | C43 | 177.2° | 174.6° |
| O11 | C40 | C39 | CL2 | 1.7° | 4.4° |
| O11 | C40 | C38 | H40 | 1.1° | 6.1° |
| C40 | C38 | C42 | H40 | 180.0° | 180.0° |
| C40 | C38 | C42 | C41 | 2.3° | 1.8° |
| C38 | C40 | C39 | C43 | 4.1° | 7.6° |
| C38 | C40 | C39 | CL2 | 177.1° | 173.4° |
| C40 | C38 | C42 | H41 | 177.7° | 177.8° |
| C38 | C40 | O11 | C25 | 115.4° | 20.6° |
| C39 | C40 | C38 | C42 | 2.3° | 8.2° |
| C40 | C39 | C43 | C41 | 1.2° | 0.6° |
| C40 | C39 | C43 | CL2 | 178.9° | 179.1° |
| C39 | C40 | C38 | H40 | 177.7° | 171.8° |
| C40 | C39 | C43 | H42 | 178.8° | 178.7° |
| C39 | C40 | O11 | C25 | 65.8° | 161.5° |
| C38 | C42 | C41 | H41 | 180.0° | 179.6° |
| C38 | C42 | C41 | C43 | 5.2° | 5.1° |
| C38 | C42 | C41 | C44 | 167.5° | 174.4° |
| C42 | C41 | C43 | C44 | 173.0° | 179.5° |
| C42 | C41 | C43 | C39 | 3.5° | 5.7° |
| C42 | C41 | C44 | C37 | 94.0° | 105.2° |
| C42 | C41 | C44 | O13 | 24.6° | 133.2° |
| C41 | C42 | C38 | H40 | 177.7° | 178.1° |
| C42 | C41 | C43 | H42 | 176.5° | 172.4° |
| C42 | C41 | C44 | H43 | 149.0° | 14.0° |
| C41 | C43 | C39 | H42 | 180.0° | 178.1° |
| C41 | C43 | C39 | CL2 | 180.0° | 179.7° |
| C43 | C41 | C44 | C37 | 78.7° | 74.3° |
| C43 | C41 | C44 | O13 | 162.7° | 47.4° |
| C43 | C41 | C42 | H41 | 174.8° | 175.3° |
| C43 | C41 | C44 | H43 | 38.3° | 166.5° |
| C44 | C41 | C43 | C39 | 169.5° | 173.8° |
| C41 | C44 | C37 | C45 | 178.3° | 63.7° |
| C41 | C44 | C37 | O13 | 119.9° | 121.7° |
| C41 | C44 | C37 | H43 | 117.6° | 119.3° |
| C41 | C44 | O13 | H43 | 123.3° | 119.2° |
| C41 | C44 | C37 | H39 | 61.2° | 179.8° |
| C44 | C41 | C42 | H41 | 12.5° | 5.2° |
| C44 | C41 | C43 | H42 | 10.5° | 8.1° |
| C41 | C44 | O13 | H44 | 180.0° | 58.2° |
| CL2 | C39 | C43 | H42 | 0.0° | 2.2° |
| O12 | C45 | C37 | N8 | 175.6° | 179.1° |
| O12 | C45 | C37 | C44 | 98.0° | 46.0° |
| O12 | C45 | C37 | H39 | 145.2° | 70.9° |
| O12 | C45 | N8 | C52 | 14.3° | 47.5° |
| O12 | C45 | N8 | H45 | 165.7° | 132.3° |
| C45 | C37 | C44 | H39 | 117.2° | 116.5° |
| C45 | C37 | C44 | O13 | 61.7° | 58.0° |
| C45 | C37 | N7 | H38 | 71.4° | 121.1° |
| C45 | C37 | C44 | H43 | 60.8° | 177.1° |
| C37 | C45 | N8 | C52 | 161.2° | 133.4° |
| C37 | C45 | N8 | H45 | 18.9° | 46.8° |
| C45 | C37 | N7 | C30 | 108.6° | 59.3° |
| C37 | C44 | O13 | H43 | 120.8° | 119.0° |
| C44 | C37 | N7 | H38 | 54.7° | 114.3° |
| C37 | C44 | O13 | H44 | 64.1° | 180.0° |
| C44 | C37 | N7 | C30 | 125.3° | 65.3° |
| C44 | C37 | C45 | N8 | 86.4° | 134.9° |
| O13 | C44 | C37 | H39 | 178.9° | 58.5° |
| H38 | N7 | C37 | H39 | 171.0° | 4.3° |
| H39 | C37 | C44 | H43 | 56.4° | 60.6° |
| H39 | C37 | N7 | C30 | 9.0° | 176.1° |
| H39 | C37 | C45 | N8 | 30.4° | 108.2° |
| H40 | C38 | C42 | H41 | 2.3° | 2.2° |
| H43 | C44 | O13 | H44 | 56.7° | 61.0° |
| N8 | C52 | C51 | C47 | 67.8° | 69.6° |
| N8 | C52 | C51 | C50 | 110.9° | 117.1° |
| N8 | C52 | C51 | C53 | 124.5° | 127.5° |
| N8 | C52 | C51 | H46 | 117.6° | 119.6° |
| N8 | C52 | C53 | H46 | 119.0° | 116.2° |
| N8 | C52 | C53 | O16 | 162.0° | 139.4° |
| N8 | C52 | C53 | O17 | 19.4° | 40.6° |
| C52 | N8 | H45 | C45 | 180.0° | 179.8° |
| O14 | C46 | C47 | C48 | 179.9° | 178.8° |
| O14 | C46 | C47 | C51 | 177.7° | 170.5° |
| O14 | C46 | C48 | C49 | 178.3° | 178.8° |
| O14 | C46 | C48 | H48 | 1.7° | 0.6° |
| O14 | C46 | C47 | C33 | 0.5° | 7.4° |
| C46 | C47 | C51 | C33 | 178.1° | 177.8° |
| C47 | C46 | C48 | C49 | 1.6° | 2.4° |
| C46 | C47 | C51 | C50 | 2.3° | 13.8° |
| C46 | C47 | C51 | C52 | 176.4° | 159.4° |
| C47 | C46 | O14 | H47 | 180.0° | 85.0° |
| C47 | C46 | C48 | H48 | 178.4° | 178.2° |
| C48 | C46 | C47 | C51 | 2.2° | 10.7° |
| C46 | C48 | C49 | H48 | 180.0° | 179.4° |
| C46 | C48 | C49 | O15 | 177.9° | 178.3° |
| C46 | C48 | C49 | C50 | 1.1° | 2.8° |
| C48 | C46 | O14 | H47 | 0.2° | 96.1° |
| C48 | C46 | C47 | C33 | 179.6° | 171.4° |
| C47 | C51 | C50 | C49 | 1.8° | 9.0° |
| C47 | C51 | C50 | C52 | 178.7° | 173.5° |
| C47 | C51 | C52 | C53 | 167.6° | 162.9° |
| C47 | C51 | C52 | H46 | 49.8° | 49.9° |
| C47 | C51 | C50 | H50 | 178.2° | 166.1° |
| C48 | C49 | O15 | C50 | 179.0° | 178.9° |
| C48 | C49 | C50 | C51 | 1.2° | 0.5° |
| C48 | C49 | O15 | H49 | 180.0° | 90.0° |
| C48 | C49 | C50 | H50 | 178.9° | 174.9° |
| O15 | C49 | C50 | C51 | 177.9° | 178.3° |
| O15 | C49 | C48 | H48 | 2.1° | 2.3° |
| O15 | C49 | C50 | H50 | 2.1° | 6.2° |
| C49 | C50 | C51 | H50 | 180.0° | 175.1° |
| C49 | C50 | C51 | C52 | 176.9° | 164.5° |
| C50 | C49 | C48 | H48 | 179.0° | 176.6° |
| C50 | C49 | O15 | H49 | 1.0° | 91.1° |
| C50 | C51 | C52 | C53 | 13.6° | 10.4° |
| C50 | C51 | C52 | H46 | 131.5° | 123.3° |
| C50 | C51 | C47 | C33 | 179.6° | 168.4° |
| C51 | C52 | C53 | H46 | 118.1° | 113.9° |
| C51 | C52 | C53 | O16 | 75.1° | 90.7° |
| C51 | C52 | C53 | O17 | 103.5° | 89.3° |
| C51 | C52 | N8 | H45 | 38.9° | 33.9° |
| C52 | C51 | C50 | H50 | 3.1° | 20.3° |
| C52 | C51 | C47 | C33 | 1.7° | 18.4° |
| C51 | C52 | N8 | C45 | 141.2° | 145.9° |
| C52 | C53 | O16 | O17 | 178.4° | 180.0° |
| C53 | C52 | N8 | H45 | 86.0° | 160.7° |
| C52 | C53 | O17 | H51 | 178.4° | 180.0° |
| C53 | C52 | N8 | C45 | 93.9° | 19.1° |
| O16 | C53 | C52 | H46 | 43.1° | 23.2° |
| O16 | C53 | O17 | H51 | 0.0° | 0.0° |
| O17 | C53 | C52 | H46 | 138.3° | 156.9° |
| H45 | N8 | C52 | H46 | 155.9° | 84.9° |
| H46 | C52 | N8 | C45 | 24.2° | 95.3° |
| C55 | C54 | C59 | O18 | 120.6° | 120.0° |
| C55 | C54 | C59 | H52 | 119.7° | 119.9° |
| C55 | C54 | O18 | H52 | 117.0° | 120.2° |
| C54 | C55 | C56 | O19 | 122.8° | 119.9° |
| C54 | C55 | C56 | H53 | 117.2° | 119.9° |
| C54 | C55 | O19 | H53 | 121.2° | 120.2° |
| C54 | C55 | C56 | C57 | 50.9° | 57.0° |
| C54 | C55 | C56 | O20 | 168.4° | 176.9° |
| C54 | C55 | C56 | H54 | 69.1° | 62.9° |
| C55 | C54 | C59 | O21 | 60.4° | 57.5° |
| C55 | C54 | C59 | H58 | 60.7° | 62.4° |
| C54 | C55 | O19 | H59 | 180.0° | 180.0° |
| C55 | C54 | O18 | C60 | 102.6° | 82.8° |
| C55 | C54 | C59 | O8 | 178.5° | 177.6° |
| C59 | C54 | O18 | H52 | 119.4° | 120.1° |
| C59 | C54 | C55 | C56 | 55.0° | 56.9° |
| C59 | C54 | C55 | O19 | 176.3° | 176.8° |
| C59 | C54 | C55 | H53 | 61.8° | 62.9° |
| C54 | C59 | O21 | C57 | 63.3° | 61.1° |
| C54 | C59 | O21 | H58 | 120.3° | 119.9° |
| C54 | C59 | O21 | O8 | 118.7° | 120.1° |
| C54 | C59 | H58 | O8 | 120.2° | 120.0° |
| C59 | C54 | O18 | C60 | 133.8° | 157.5° |
| O18 | C54 | C55 | C56 | 177.6° | 176.9° |
| O18 | C54 | C55 | O19 | 61.2° | 63.2° |
| O18 | C54 | C55 | H53 | 60.8° | 57.0° |
| O18 | C54 | C59 | O21 | 179.1° | 177.5° |
| O18 | C54 | C59 | H58 | 59.9° | 57.5° |
| C54 | O18 | C60 | C61 | 165.1° | 168.7° |
| C54 | O18 | C60 | O24 | 68.6° | 71.4° |
| C54 | O18 | C60 | H62 | 50.0° | 48.7° |
| O18 | C54 | C59 | O8 | 60.9° | 62.4° |
| H52 | C54 | C55 | C56 | 64.9° | 62.9° |
| H52 | C54 | C55 | O19 | 56.4° | 57.0° |
| H52 | C54 | C55 | H53 | 178.3° | 177.2° |
| H52 | C54 | C59 | O21 | 59.4° | 62.3° |
| H52 | C54 | C59 | H58 | 179.6° | 177.7° |
| H52 | C54 | O18 | C60 | 14.4° | 37.4° |
| H52 | C54 | C59 | O8 | 58.8° | 57.7° |
| C56 | C55 | O19 | H53 | 118.9° | 120.2° |
| C55 | C56 | C57 | O20 | 119.2° | 119.8° |
| C55 | C56 | C57 | H54 | 119.9° | 119.9° |
| C55 | C56 | O20 | H54 | 121.3° | 120.2° |
| C55 | C56 | C57 | C58 | 172.7° | 177.6° |
| C55 | C56 | C57 | O21 | 54.6° | 57.6° |
| C55 | C56 | C57 | H55 | 66.7° | 62.4° |
| C56 | C55 | O19 | H59 | 60.1° | 60.4° |
| C55 | C56 | O20 | H60 | 180.0° | 180.0° |
| O19 | C55 | C56 | C57 | 173.7° | 176.9° |
| O19 | C55 | C56 | O20 | 68.8° | 63.3° |
| O19 | C55 | C56 | H54 | 53.6° | 56.9° |
| H53 | C55 | C56 | C57 | 66.3° | 62.9° |
| H53 | C55 | C56 | O20 | 51.2° | 57.0° |
| H53 | C55 | C56 | H54 | 173.6° | 177.2° |
| H53 | C55 | O19 | H59 | 58.8° | 59.8° |
| C57 | C56 | O20 | H54 | 119.9° | 120.2° |
| C56 | C57 | C58 | O21 | 121.1° | 120.0° |
| C56 | C57 | C58 | H55 | 120.8° | 120.1° |
| C56 | C57 | O21 | H55 | 120.3° | 120.0° |
| C56 | C57 | C58 | O22 | 51.6° | 175.0° |
| C56 | C57 | C58 | H56 | 172.1° | 54.9° |
| C56 | C57 | C58 | H57 | 68.9° | 65.0° |
| C56 | C57 | O21 | C59 | 61.8° | 61.1° |
| C57 | C56 | O20 | H60 | 61.2° | 60.4° |
| O20 | C56 | C57 | C58 | 68.1° | 62.5° |
| O20 | C56 | C57 | O21 | 173.8° | 177.5° |
| O20 | C56 | C57 | H55 | 52.5° | 57.5° |
| H54 | C56 | C57 | C58 | 52.8° | 57.7° |
| H54 | C56 | C57 | O21 | 65.3° | 62.3° |
| H54 | C56 | C57 | H55 | 173.4° | 177.7° |
| H54 | C56 | O20 | H60 | 58.7° | 59.8° |
| C58 | C57 | O21 | H55 | 116.5° | 120.0° |
| C57 | C58 | O22 | H56 | 120.5° | 120.0° |
| C57 | C58 | O22 | H57 | 120.5° | 120.0° |
| C57 | C58 | H56 | H57 | 118.4° | 120.0° |
| C58 | C57 | O21 | C59 | 175.0° | 178.9° |
| C57 | C58 | O22 | H61 | 180.0° | 180.0° |
| O21 | C57 | C58 | O22 | 69.5° | 65.0° |
| O21 | C57 | C58 | H56 | 51.0° | 174.9° |
| O21 | C57 | C58 | H57 | 170.0° | 55.0° |
| C57 | O21 | C59 | H58 | 57.1° | 58.9° |
| C57 | O21 | C59 | O8 | 178.1° | 178.9° |
| H55 | C57 | C58 | O22 | 172.4° | 55.0° |
| H55 | C57 | C58 | H56 | 67.1° | 65.1° |
| H55 | C57 | C58 | H57 | 51.9° | 174.9° |
| H55 | C57 | O21 | C59 | 58.5° | 58.9° |
| O22 | C58 | H56 | H57 | 118.5° | 120.0° |
| H56 | C58 | O22 | H61 | 59.5° | 59.9° |
| H57 | C58 | O22 | H61 | 59.4° | 60.0° |
| O21 | C59 | H58 | O8 | 119.8° | 120.1° |
| C61 | C60 | O24 | H62 | 121.7° | 120.0° |
| C61 | C60 | O24 | O18 | 119.6° | 120.0° |
| C60 | C61 | C62 | H63 | 120.4° | 119.9° |
| C60 | C61 | C62 | H64 | 120.4° | 119.9° |
| C60 | C61 | C62 | N9 | 162.4° | 176.8° |
| C60 | C61 | C62 | C63 | 81.9° | 63.0° |
| C60 | C61 | C62 | C64 | 44.0° | 57.0° |
| C61 | C60 | O24 | C65 | 49.8° | 61.2° |
| C61 | C60 | H62 | O18 | 113.7° | 120.0° |
| C60 | C61 | H63 | H64 | 118.8° | 120.2° |
| O24 | C60 | C61 | C62 | 41.4° | 57.6° |
| C60 | O24 | C65 | C64 | 58.7° | 61.2° |
| C60 | O24 | C65 | C66 | 178.5° | 178.9° |
| O24 | C60 | H62 | O18 | 119.1° | 120.1° |
| O24 | C60 | C61 | H63 | 78.9° | 62.3° |
| O24 | C60 | C61 | H64 | 161.9° | 177.5° |
| C60 | O24 | C65 | H72 | 60.7° | 58.8° |
| C61 | C62 | N9 | C63 | 121.2° | 120.2° |
| C61 | C62 | N9 | C64 | 120.5° | 119.6° |
| C61 | C62 | C63 | C64 | 126.4° | 119.6° |
| C61 | C62 | C64 | O23 | 62.0° | 62.9° |
| C61 | C62 | C64 | C65 | 54.2° | 57.0° |
| C62 | C61 | C60 | H62 | 163.8° | 177.6° |
| C62 | C61 | H63 | H64 | 118.8° | 120.1° |
| C61 | C62 | N9 | H65 | 180.0° | 60.0° |
| C61 | C62 | N9 | H66 | 60.0° | 176.1° |
| C61 | C62 | C63 | H67 | 180.0° | 70.3° |
| C61 | C62 | C63 | H68 | 60.0° | 169.6° |
| C61 | C62 | C63 | H69 | 60.0° | 49.6° |
| C61 | C62 | C64 | H70 | 178.6° | 176.9° |
| C62 | C61 | C60 | O18 | 80.3° | 62.3° |
| N9 | C62 | C63 | C64 | 116.7° | 120.2° |
| N9 | C62 | C64 | O23 | 55.7° | 57.0° |
| N9 | C62 | C64 | C65 | 171.9° | 176.8° |
| N9 | C62 | C61 | H63 | 42.0° | 56.9° |
| N9 | C62 | C61 | H64 | 77.2° | 63.2° |
| C62 | N9 | H65 | H66 | 120.0° | 123.9° |
| N9 | C62 | C63 | H67 | 63.1° | 169.5° |
| N9 | C62 | C63 | H68 | 56.9° | 49.4° |
| N9 | C62 | C63 | H69 | 176.9° | 70.6° |
| N9 | C62 | C64 | H70 | 63.7° | 63.2° |
| C63 | C62 | C64 | O23 | 170.5° | 177.2° |
| C63 | C62 | C64 | C65 | 73.3° | 63.0° |
| C63 | C62 | C61 | H63 | 157.7° | 177.1° |
| C63 | C62 | C61 | H64 | 38.5° | 57.0° |
| C63 | C62 | N9 | H65 | 58.7° | 60.2° |
| C63 | C62 | N9 | H66 | 178.8° | 63.7° |
| C62 | C63 | H67 | H68 | 120.0° | 120.0° |
| C62 | C63 | H67 | H69 | 120.0° | 119.9° |
| C62 | C63 | H68 | H69 | 120.0° | 120.0° |
| C63 | C62 | C64 | H70 | 51.1° | 57.0° |
| C62 | C64 | O23 | C65 | 115.1° | 119.6° |
| C62 | C64 | O23 | H70 | 119.0° | 120.2° |
| C62 | C64 | C65 | H70 | 124.3° | 119.9° |
| C62 | C64 | C65 | O24 | 60.6° | 57.6° |
| C62 | C64 | C65 | C66 | 179.7° | 177.6° |
| C64 | C62 | C61 | H63 | 76.4° | 62.9° |
| C64 | C62 | C61 | H64 | 164.5° | 176.9° |
| C64 | C62 | N9 | H65 | 59.5° | 179.6° |
| C64 | C62 | N9 | H66 | 60.5° | 56.5° |
| C64 | C62 | C63 | H67 | 53.6° | 49.3° |
| C64 | C62 | C63 | H68 | 173.6° | 70.8° |
| C64 | C62 | C63 | H69 | 66.4° | 169.2° |
| C62 | C64 | O23 | H71 | 180.0° | 180.0° |
| C62 | C64 | C65 | H72 | 59.7° | 62.4° |
| O23 | C64 | C65 | H70 | 126.1° | 120.2° |
| O23 | C64 | C65 | O24 | 49.0° | 62.3° |
| O23 | C64 | C65 | C66 | 70.1° | 57.7° |
| O23 | C64 | C65 | H72 | 169.3° | 177.8° |
| C64 | C65 | O24 | C66 | 122.8° | 120.0° |
| C64 | C65 | O24 | H72 | 119.4° | 120.0° |
| C64 | C65 | C66 | H72 | 120.7° | 120.0° |
| C65 | C64 | O23 | H71 | 64.9° | 60.4° |
| C64 | C65 | C66 | H73 | 180.0° | 54.1° |
| C64 | C65 | C66 | H74 | 60.0° | 174.0° |
| C64 | C65 | C66 | H75 | 60.0° | 65.9° |
| O24 | C65 | C66 | H72 | 118.7° | 120.0° |
| C65 | O24 | C60 | H62 | 171.5° | 178.9° |
| O24 | C65 | C64 | H70 | 175.1° | 177.5° |
| O24 | C65 | C66 | H73 | 59.4° | 174.0° |
| O24 | C65 | C66 | H74 | 60.6° | 66.0° |
| O24 | C65 | C66 | H75 | 179.4° | 54.0° |
| C65 | O24 | C60 | O18 | 69.8° | 58.8° |
| C66 | C65 | C64 | H70 | 56.0° | 62.5° |
| C65 | C66 | H73 | H74 | 120.0° | 120.0° |
| C65 | C66 | H73 | H75 | 120.0° | 120.0° |
| C65 | C66 | H74 | H75 | 120.0° | 120.1° |
| H62 | C60 | C61 | H63 | 43.4° | 57.7° |
| H62 | C60 | C61 | H64 | 75.8° | 62.5° |
| H63 | C61 | C60 | O18 | 159.3° | 177.7° |
| H64 | C61 | C60 | O18 | 40.2° | 57.6° |
| H67 | C63 | H68 | H69 | 120.0° | 120.0° |
| H70 | C64 | O23 | H71 | 61.0° | 59.8° |
| H70 | C64 | C65 | H72 | 64.6° | 57.6° |
| H72 | C65 | C66 | H73 | 59.3° | 66.0° |
| H72 | C65 | C66 | H74 | 179.3° | 54.0° |
| H72 | C65 | C66 | H75 | 60.7° | 174.1° |
| H73 | C66 | H74 | H75 | 120.0° | 119.9° |
