PRD_000484
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.51Å | |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O1 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| 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 | 1.43Å | |
| C8 | C9 | sing | 1.50Å | 1.52Å | |
| C8 | C10 | sing | 1.54Å | 1.58Å | |
| C9 | O2 | doub | 1.22Å | 1.22Å | |
| CL1 | C14 | sing | 1.73Å | 1.70Å | |
| C10 | O3 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | O4 | sing | 1.38Å | 1.40Å | |
| 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 | 1.46Å | 1.45Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.48Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H23 | sing | 1.10Å | 1.10Å | |
| C18 | O5 | doub | 1.23Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.21Å | |
| C20 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | C21 | sing | 1.44Å | 1.45Å | |
| N5 | H28 | sing | 0.99Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| C21 | C23 | sing | 1.51Å | 1.54Å | |
| C21 | H29 | sing | 1.10Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.24Å | |
| C23 | C24 | doub | 1.38Å | 1.36Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | O8 | sing | 1.36Å | 1.39Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | C29 | sing | 1.46Å | 1.40Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.56Å | |
| C29 | C31 | sing | 1.51Å | 1.53Å | |
| C29 | H33 | sing | 1.08Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | O10 | sing | 1.36Å | 1.37Å | |
| C34 | C35 | sing | 1.41Å | 1.38Å | Aromatic |
| O10 | H36 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | H37 | sing | 1.07Å | 1.08Å | |
| N7 | C37 | sing | 1.46Å | 1.48Å | |
| O11 | C40 | sing | 1.38Å | 1.39Å | |
| C40 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C42 | doub | 1.38Å | 1.36Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.44Å | Aromatic |
| C41 | C44 | sing | 1.50Å | 1.49Å | |
| C43 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | CL2 | sing | 1.74Å | 1.73Å | |
| C45 | O12 | doub | 1.21Å | 1.23Å | |
| C45 | C37 | sing | 1.52Å | 1.51Å | |
| C37 | C44 | sing | 1.51Å | 1.56Å | |
| C44 | O13 | sing | 1.43Å | 1.42Å | |
| N7 | H38 | sing | 0.98Å | 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 | 1.45Å | 1.44Å | |
| O14 | C46 | sing | 1.36Å | 1.37Å | |
| C46 | C47 | sing | 1.41Å | 1.41Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C51 | doub | 1.41Å | 1.39Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.36Å | Aromatic |
| C49 | O15 | sing | 1.36Å | 1.37Å | |
| C49 | C50 | doub | 1.39Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.51Å | 1.53Å | |
| C52 | C53 | sing | 1.50Å | 1.55Å | |
| C53 | O16 | doub | 1.21Å | 1.27Å | |
| C53 | O17 | sing | 1.34Å | 1.26Å | |
| N8 | H44 | sing | 0.99Å | 1.00Å | |
| C52 | H45 | sing | 1.10Å | 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 | 1.51Å | |
| C54 | C59 | sing | 1.53Å | 1.52Å | |
| C54 | O18 | sing | 1.43Å | 1.41Å | |
| C54 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.51Å | |
| C55 | O19 | sing | 1.43Å | 1.44Å | |
| C55 | H52 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.50Å | |
| C56 | O20 | sing | 1.43Å | 1.42Å | |
| C56 | H53 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.58Å | |
| C57 | O21 | sing | 1.43Å | 1.45Å | |
| C57 | H54 | sing | 1.09Å | 1.10Å | |
| C58 | O22 | sing | 1.43Å | 1.37Å | |
| C58 | H55 | sing | 1.09Å | 1.10Å | |
| C58 | H56 | sing | 1.09Å | 1.10Å | |
| C59 | O21 | sing | 1.43Å | 1.38Å | |
| C59 | H57 | sing | 1.09Å | 1.10Å | |
| O18 | H58 | sing | 0.97Å | 0.95Å | |
| O19 | H59 | sing | 0.97Å | 0.95Å | |
| O20 | H60 | sing | 0.97Å | 0.95Å | |
| O22 | H61 | sing | 0.97Å | 0.95Å | |
| O24 | C60 | sing | 1.43Å | 1.42Å | |
| C61 | C60 | sing | 1.53Å | 1.48Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | C61 | sing | 1.53Å | 1.52Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å | |
| C61 | H64 | sing | 1.09Å | 1.10Å | |
| C63 | C62 | sing | 1.53Å | 1.54Å | |
| N9 | C62 | sing | 1.47Å | 1.50Å | |
| C62 | C66 | sing | 1.53Å | 1.50Å | |
| N9 | H65 | sing | 1.01Å | 1.00Å | |
| N9 | H66 | sing | 1.01Å | 1.00Å | |
| O25 | C63 | sing | 1.43Å | 1.41Å | |
| O23 | C63 | sing | 1.43Å | 1.42Å | |
| C63 | C64 | sing | 1.53Å | 1.56Å | |
| O23 | H67 | sing | 0.97Å | 0.95Å | |
| C65 | C64 | sing | 1.53Å | 1.55Å | |
| C64 | O24 | sing | 1.43Å | 1.39Å | |
| C64 | H68 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C65 | H70 | sing | 1.09Å | 1.10Å | |
| 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 | |
| O25 | H75 | sing | 0.97Å | 0.95Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.35Å | 1.32Å | |
| O4 | C25 | sing | 1.38Å | 1.37Å | |
| C18 | N5 | sing | 1.32Å | 1.33Å | |
| C27 | O11 | sing | 1.38Å | 1.38Å | |
| C22 | N6 | sing | 1.34Å | 1.34Å | |
| C30 | N7 | sing | 1.33Å | 1.33Å | |
| C35 | C47 | sing | 1.48Å | 1.49Å | |
| C45 | N8 | sing | 1.33Å | 1.33Å | |
| O8 | C59 | sing | 1.43Å | 1.43Å | |
| O13 | C60 | sing | 1.43Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 113.2° | 111.0° |
| C1 | N1 | H1 | 108.5° | 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 | 106.5° | 109.4° |
| N1 | C2 | C4 | 109.1° | 109.4° |
| C2 | N1 | H1 | 108.5° | 111.0° |
| N1 | C2 | H5 | 110.3° | 109.5° |
| C3 | C2 | C4 | 110.7° | 109.4° |
| C2 | C3 | O1 | 120.0° | 120.1° |
| C3 | C2 | H5 | 110.1° | 109.5° |
| C2 | C3 | N2 | 116.1° | 120.0° |
| C2 | C4 | C5 | 114.4° | 109.5° |
| C4 | C2 | H5 | 110.1° | 109.5° |
| C2 | C4 | H6 | 108.2° | 109.5° |
| C2 | C4 | H7 | 108.2° | 109.5° |
| O1 | C3 | N2 | 123.9° | 120.0° |
| C4 | C5 | C6 | 112.9° | 109.5° |
| C4 | C5 | C7 | 108.5° | 109.4° |
| C5 | C4 | H6 | 108.2° | 109.5° |
| C5 | C4 | H7 | 108.2° | 109.4° |
| C4 | C5 | H8 | 107.7° | 109.4° |
| C6 | C5 | C7 | 111.7° | 109.5° |
| C6 | C5 | H8 | 108.0° | 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 | 107.9° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.4° | 109.4° |
| C5 | C7 | H14 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H4 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.4° | 109.4° |
| H10 | C6 | H11 | 109.4° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H14 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| N2 | C8 | C9 | 114.9° | 109.6° |
| N2 | C8 | C10 | 113.8° | 109.5° |
| C8 | N2 | H15 | 120.3° | 119.9° |
| N2 | C8 | H16 | 106.0° | 109.9° |
| C8 | N2 | C3 | 119.4° | 120.0° |
| C9 | C8 | C10 | 111.5° | 108.9° |
| C8 | C9 | O2 | 118.6° | 117.9° |
| C9 | C8 | H16 | 105.1° | 109.8° |
| C8 | C9 | N3 | 118.7° | 123.8° |
| C8 | C10 | O3 | 105.7° | 110.1° |
| C8 | C10 | C11 | 113.1° | 107.0° |
| C10 | C8 | H16 | 104.4° | 109.2° |
| C8 | C10 | H17 | 108.1° | 109.9° |
| O2 | C9 | N3 | 122.6° | 118.3° |
| CL1 | C14 | C12 | 121.2° | 119.9° |
| CL1 | C14 | C16 | 119.3° | 120.4° |
| O3 | C10 | C11 | 110.8° | 110.2° |
| O3 | C10 | H17 | 110.2° | 109.8° |
| C10 | O3 | H18 | 109.5° | 114.0° |
| C10 | C11 | C12 | 117.6° | 119.2° |
| C10 | C11 | C13 | 123.7° | 120.8° |
| C11 | C10 | H17 | 109.0° | 109.8° |
| C12 | C11 | C13 | 118.7° | 120.0° |
| C11 | C12 | C14 | 120.6° | 119.9° |
| C11 | C12 | H19 | 119.7° | 120.2° |
| C11 | C13 | C15 | 121.8° | 120.3° |
| C11 | C13 | H20 | 119.1° | 120.4° |
| C12 | C14 | C16 | 119.5° | 119.7° |
| C14 | C12 | H19 | 119.7° | 119.9° |
| C13 | C15 | C16 | 118.4° | 119.5° |
| C15 | C13 | H20 | 119.1° | 119.3° |
| C13 | C15 | H21 | 120.8° | 120.3° |
| C14 | C16 | C15 | 120.9° | 120.3° |
| C14 | C16 | O4 | 120.8° | 117.9° |
| C15 | C16 | O4 | 118.3° | 121.6° |
| C16 | C15 | H21 | 120.8° | 120.1° |
| C16 | O4 | C25 | 115.0° | 106.7° |
| H15 | N2 | C3 | 120.3° | 120.0° |
| C17 | N3 | H22 | 118.9° | 121.2° |
| N3 | C17 | C18 | 113.1° | 116.1° |
| N3 | C17 | C19 | 111.4° | 109.1° |
| N3 | C17 | H23 | 108.3° | 107.6° |
| C17 | N3 | C9 | 122.2° | 118.3° |
| H22 | N3 | C9 | 118.9° | 120.5° |
| C18 | C17 | C19 | 108.9° | 108.8° |
| C18 | C17 | H23 | 107.4° | 107.5° |
| C17 | C18 | O5 | 119.0° | 115.3° |
| C17 | C18 | N5 | 117.5° | 129.7° |
| C19 | C17 | H23 | 107.6° | 107.3° |
| C17 | C19 | C20 | 112.7° | 109.5° |
| C17 | C19 | H24 | 108.7° | 109.5° |
| C17 | C19 | H25 | 108.6° | 109.4° |
| O5 | C18 | N5 | 123.4° | 114.9° |
| C20 | C19 | H24 | 108.6° | 109.5° |
| C20 | C19 | H25 | 108.7° | 109.5° |
| C19 | C20 | O6 | 122.3° | 120.0° |
| C19 | C20 | N4 | 116.2° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| O6 | C20 | N4 | 121.4° | 120.0° |
| C20 | N4 | H26 | 120.0° | 119.9° |
| C20 | N4 | H27 | 120.0° | 120.1° |
| H26 | N4 | H27 | 120.0° | 120.0° |
| C21 | N5 | H28 | 118.9° | 116.1° |
| N5 | C21 | C22 | 111.0° | 111.6° |
| N5 | C21 | C23 | 113.3° | 114.1° |
| N5 | C21 | H29 | 108.8° | 109.1° |
| C21 | N5 | C18 | 122.2° | 128.4° |
| H28 | N5 | C18 | 118.9° | 115.5° |
| C22 | C21 | C23 | 107.7° | 107.9° |
| C22 | C21 | H29 | 108.2° | 106.4° |
| C21 | C22 | O7 | 122.6° | 119.8° |
| C21 | C22 | N6 | 116.2° | 120.6° |
| C23 | C21 | H29 | 107.7° | 107.4° |
| C21 | C23 | C24 | 120.0° | 122.4° |
| C21 | C23 | C28 | 119.5° | 118.6° |
| O7 | C22 | N6 | 121.2° | 119.6° |
| C24 | C23 | C28 | 120.5° | 119.0° |
| C23 | C24 | C25 | 120.2° | 120.1° |
| C23 | C24 | H30 | 119.9° | 119.8° |
| C23 | C28 | C27 | 119.0° | 120.7° |
| C23 | C28 | H31 | 120.5° | 120.3° |
| C25 | C24 | H30 | 119.9° | 120.1° |
| C24 | C25 | C26 | 120.4° | 121.0° |
| C24 | C25 | O4 | 123.4° | 117.1° |
| C25 | C26 | O8 | 120.5° | 120.6° |
| C25 | C26 | C27 | 118.6° | 118.3° |
| C26 | C25 | O4 | 116.2° | 121.9° |
| O8 | C26 | C27 | 120.8° | 121.1° |
| C26 | O8 | C59 | 113.4° | 117.1° |
| C26 | C27 | C28 | 121.1° | 120.7° |
| C26 | C27 | O11 | 116.1° | 123.1° |
| C27 | C28 | H31 | 120.5° | 119.0° |
| C28 | C27 | O11 | 122.7° | 116.1° |
| C29 | N6 | H32 | 119.1° | 118.0° |
| N6 | C29 | C30 | 108.3° | 107.0° |
| N6 | C29 | C31 | 117.2° | 108.8° |
| N6 | C29 | H33 | 109.4° | 111.5° |
| C29 | N6 | C22 | 121.7° | 123.5° |
| H32 | N6 | C22 | 119.1° | 118.5° |
| C30 | C29 | C31 | 106.5° | 108.7° |
| C30 | C29 | H33 | 107.4° | 110.0° |
| C29 | C30 | O9 | 119.1° | 118.1° |
| C29 | C30 | N7 | 119.8° | 122.8° |
| C31 | C29 | H33 | 107.7° | 110.8° |
| C29 | C31 | C32 | 120.8° | 122.0° |
| C29 | C31 | C36 | 120.0° | 118.5° |
| O9 | C30 | N7 | 121.0° | 119.1° |
| C32 | C31 | C36 | 118.9° | 119.5° |
| C31 | C32 | C33 | 120.4° | 119.2° |
| C31 | C32 | H34 | 119.8° | 120.0° |
| C31 | C36 | C35 | 121.7° | 122.7° |
| C31 | C36 | H37 | 119.1° | 116.6° |
| C33 | C32 | H34 | 119.8° | 120.8° |
| C32 | C33 | C34 | 119.9° | 121.4° |
| C32 | C33 | H35 | 120.0° | 119.2° |
| C34 | C33 | H35 | 120.1° | 119.5° |
| C33 | C34 | O10 | 122.2° | 117.4° |
| C33 | C34 | C35 | 120.5° | 119.9° |
| O10 | C34 | C35 | 117.3° | 122.7° |
| C34 | O10 | H36 | 109.5° | 114.0° |
| C34 | C35 | C36 | 118.5° | 117.1° |
| C34 | C35 | C47 | 122.0° | 122.8° |
| C35 | C36 | H37 | 119.1° | 120.7° |
| C36 | C35 | C47 | 119.5° | 120.1° |
| N7 | C37 | C45 | 109.3° | 109.6° |
| N7 | C37 | C44 | 108.5° | 113.8° |
| C37 | N7 | H38 | 116.5° | 117.6° |
| N7 | C37 | H39 | 107.8° | 107.2° |
| C37 | N7 | C30 | 127.0° | 124.6° |
| O11 | C40 | C38 | 119.5° | 117.2° |
| O11 | C40 | C39 | 121.4° | 122.5° |
| C40 | O11 | C27 | 115.1° | 108.2° |
| C38 | C40 | C39 | 119.1° | 120.2° |
| C40 | C38 | C42 | 120.8° | 120.3° |
| C40 | C38 | H40 | 119.6° | 120.2° |
| C40 | C39 | C43 | 122.2° | 119.3° |
| C40 | C39 | CL2 | 120.2° | 120.5° |
| C38 | C42 | C41 | 121.1° | 119.7° |
| C42 | C38 | H40 | 119.6° | 119.6° |
| C38 | C42 | H41 | 119.4° | 119.5° |
| C42 | C41 | C43 | 118.9° | 119.8° |
| C42 | C41 | C44 | 123.6° | 119.2° |
| C41 | C42 | H41 | 119.4° | 120.8° |
| C43 | C41 | C44 | 116.6° | 121.0° |
| C41 | C43 | C39 | 117.7° | 120.8° |
| C41 | C43 | H42 | 121.2° | 119.8° |
| C41 | C44 | C37 | 107.1° | 113.2° |
| C41 | C44 | O13 | 114.8° | 108.2° |
| C41 | C44 | H43 | 109.9° | 108.1° |
| C43 | C39 | CL2 | 117.5° | 120.2° |
| C39 | C43 | H42 | 121.2° | 119.4° |
| O12 | C45 | C37 | 121.5° | 120.1° |
| O12 | C45 | N8 | 123.0° | 121.6° |
| C45 | C37 | C44 | 116.5° | 112.1° |
| C45 | C37 | H39 | 107.4° | 106.8° |
| C37 | C45 | N8 | 115.4° | 118.3° |
| C37 | C44 | O13 | 104.9° | 111.0° |
| C44 | C37 | H39 | 106.9° | 106.9° |
| C37 | C44 | H43 | 108.9° | 108.4° |
| O13 | C44 | H43 | 110.9° | 107.9° |
| C44 | O13 | C60 | 115.5° | 114.0° |
| H38 | N7 | C30 | 116.5° | 117.8° |
| N8 | C52 | C51 | 111.2° | 110.8° |
| N8 | C52 | C53 | 111.4° | 110.7° |
| C52 | N8 | H44 | 119.7° | 114.5° |
| N8 | C52 | H45 | 108.3° | 109.2° |
| C52 | N8 | C45 | 120.6° | 131.0° |
| O14 | C46 | C47 | 122.0° | 121.8° |
| O14 | C46 | C48 | 116.6° | 116.9° |
| C46 | O14 | H46 | 109.5° | 114.0° |
| C47 | C46 | C48 | 121.4° | 121.2° |
| C46 | C47 | C51 | 117.4° | 117.2° |
| C46 | C47 | C35 | 119.2° | 119.8° |
| C46 | C48 | C49 | 119.5° | 120.0° |
| C46 | C48 | H47 | 120.2° | 119.6° |
| C47 | C51 | C50 | 121.5° | 119.7° |
| C47 | C51 | C52 | 119.2° | 121.8° |
| C51 | C47 | C35 | 123.3° | 123.0° |
| C48 | C49 | O15 | 121.7° | 120.9° |
| C48 | C49 | C50 | 121.3° | 119.1° |
| C49 | C48 | H47 | 120.2° | 120.3° |
| O15 | C49 | C50 | 117.0° | 120.0° |
| C49 | O15 | H48 | 109.5° | 113.9° |
| C49 | C50 | C51 | 118.8° | 121.2° |
| C49 | C50 | H49 | 120.6° | 115.3° |
| C50 | C51 | C52 | 119.3° | 118.4° |
| C51 | C50 | H49 | 120.6° | 123.4° |
| C51 | C52 | C53 | 111.5° | 111.1° |
| C51 | C52 | H45 | 107.2° | 107.8° |
| C52 | C53 | O16 | 118.0° | 120.0° |
| C52 | C53 | O17 | 114.0° | 120.0° |
| C53 | C52 | H45 | 107.0° | 107.1° |
| O16 | C53 | O17 | 128.0° | 120.0° |
| C53 | O17 | H50 | 109.5° | 117.0° |
| H44 | N8 | C45 | 119.7° | 114.4° |
| C55 | C54 | C59 | 108.4° | 109.2° |
| C55 | C54 | O18 | 109.0° | 109.5° |
| C55 | C54 | H51 | 109.1° | 109.5° |
| C54 | C55 | C56 | 111.2° | 109.0° |
| C54 | C55 | O19 | 111.0° | 109.5° |
| C54 | C55 | H52 | 108.1° | 109.5° |
| C59 | C54 | O18 | 110.9° | 109.5° |
| C59 | C54 | H51 | 108.9° | 109.5° |
| C54 | C59 | O21 | 111.7° | 109.4° |
| C54 | C59 | H57 | 109.6° | 109.5° |
| C54 | C59 | O8 | 107.6° | 109.5° |
| O18 | C54 | H51 | 110.5° | 109.6° |
| C54 | O18 | H58 | 109.5° | 114.0° |
| C56 | C55 | O19 | 109.3° | 109.6° |
| C56 | C55 | H52 | 108.1° | 109.6° |
| C55 | C56 | C57 | 109.2° | 109.2° |
| C55 | C56 | O20 | 111.4° | 109.5° |
| C55 | C56 | H53 | 109.2° | 109.5° |
| O19 | C55 | H52 | 109.0° | 109.6° |
| C55 | O19 | H59 | 109.5° | 114.0° |
| C57 | C56 | O20 | 107.4° | 109.5° |
| C57 | C56 | H53 | 109.2° | 109.5° |
| C56 | C57 | C58 | 111.6° | 109.5° |
| C56 | C57 | O21 | 108.7° | 109.4° |
| C56 | C57 | H54 | 109.6° | 109.5° |
| O20 | C56 | H53 | 110.4° | 109.6° |
| C56 | O20 | H60 | 109.5° | 114.0° |
| C58 | C57 | O21 | 107.8° | 109.5° |
| C58 | C57 | H54 | 108.7° | 109.4° |
| C57 | C58 | O22 | 111.1° | 109.5° |
| C57 | C58 | H55 | 109.1° | 109.5° |
| C57 | C58 | H56 | 109.1° | 109.5° |
| O21 | C57 | H54 | 110.4° | 109.5° |
| C57 | O21 | C59 | 111.1° | 114.1° |
| O22 | C58 | H55 | 109.0° | 109.5° |
| O22 | C58 | H56 | 109.1° | 109.5° |
| C58 | O22 | H61 | 109.5° | 114.0° |
| H55 | C58 | H56 | 109.4° | 109.4° |
| O21 | C59 | H57 | 111.7° | 109.4° |
| O21 | C59 | O8 | 105.2° | 109.4° |
| H57 | C59 | O8 | 110.9° | 109.5° |
| O24 | C60 | C61 | 112.4° | 109.4° |
| O24 | C60 | H62 | 108.5° | 109.5° |
| C60 | O24 | C64 | 116.5° | 114.1° |
| O24 | C60 | O13 | 111.9° | 109.5° |
| C61 | C60 | H62 | 107.7° | 109.5° |
| C60 | C61 | C62 | 114.0° | 109.1° |
| C60 | C61 | H63 | 108.3° | 109.5° |
| C60 | C61 | H64 | 108.3° | 109.5° |
| C61 | C60 | O13 | 107.7° | 109.5° |
| H62 | C60 | O13 | 108.5° | 109.5° |
| C62 | C61 | H63 | 108.3° | 109.6° |
| C62 | C61 | H64 | 108.3° | 109.5° |
| C61 | C62 | C63 | 108.5° | 109.1° |
| C61 | C62 | N9 | 107.6° | 109.5° |
| C61 | C62 | C66 | 112.4° | 109.5° |
| H63 | C61 | H64 | 109.4° | 109.6° |
| C63 | C62 | N9 | 106.2° | 109.6° |
| C63 | C62 | C66 | 113.9° | 109.6° |
| C62 | C63 | O25 | 112.3° | 109.5° |
| C62 | C63 | O23 | 107.0° | 109.5° |
| C62 | C63 | C64 | 109.8° | 109.2° |
| N9 | C62 | C66 | 107.8° | 109.5° |
| C62 | N9 | H65 | 109.5° | 111.0° |
| C62 | N9 | H66 | 109.5° | 111.0° |
| C62 | C66 | H72 | 109.5° | 109.5° |
| C62 | C66 | H73 | 109.5° | 109.4° |
| C62 | C66 | H74 | 109.5° | 109.5° |
| H65 | N9 | H66 | 109.4° | 111.0° |
| O25 | C63 | O23 | 107.7° | 109.5° |
| O25 | C63 | C64 | 109.6° | 109.5° |
| C63 | O25 | H75 | 109.5° | 114.0° |
| O23 | C63 | C64 | 110.4° | 109.6° |
| C63 | O23 | H67 | 109.5° | 114.0° |
| C63 | C64 | C65 | 112.8° | 109.5° |
| C63 | C64 | O24 | 108.1° | 109.4° |
| C63 | C64 | H68 | 108.8° | 109.5° |
| C65 | C64 | O24 | 106.9° | 109.5° |
| C65 | C64 | H68 | 109.0° | 109.5° |
| C64 | C65 | H69 | 109.5° | 109.5° |
| C64 | C65 | H70 | 109.5° | 109.5° |
| C64 | C65 | H71 | 109.5° | 109.5° |
| O24 | C64 | H68 | 111.2° | 109.4° |
| H69 | C65 | H70 | 109.5° | 109.4° |
| H69 | C65 | H71 | 109.5° | 109.5° |
| H70 | C65 | H71 | 109.4° | 109.4° |
| H72 | C66 | H73 | 109.4° | 109.4° |
| H72 | C66 | H74 | 109.5° | 109.4° |
| H73 | C66 | H74 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 120.6° | 123.9° |
| C1 | N1 | C2 | C3 | 67.0° | 87.0° |
| C1 | N1 | C2 | C4 | 173.5° | 153.1° |
| 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 | 52.5° | 33.0° |
| N1 | C2 | C3 | C4 | 118.5° | 119.9° |
| N1 | C2 | C3 | H5 | 119.6° | 120.0° |
| N1 | C2 | C4 | H5 | 121.2° | 120.0° |
| N1 | C2 | C3 | O1 | 62.0° | 25.8° |
| N1 | C2 | C4 | C5 | 177.8° | 65.0° |
| C2 | N1 | C1 | H2 | 180.0° | 64.9° |
| C2 | N1 | C1 | H3 | 60.0° | 55.1° |
| C2 | N1 | C1 | H4 | 60.0° | 175.1° |
| N1 | C2 | C4 | H6 | 57.1° | 175.0° |
| N1 | C2 | C4 | H7 | 61.5° | 55.0° |
| N1 | C2 | C3 | N2 | 117.0° | 154.1° |
| C3 | C2 | C4 | H5 | 121.9° | 120.1° |
| C2 | C3 | O1 | N2 | 179.0° | 179.9° |
| C3 | C2 | C4 | C5 | 60.9° | 175.1° |
| C3 | C2 | N1 | H1 | 53.6° | 36.9° |
| C3 | C2 | C4 | H6 | 59.8° | 55.1° |
| C3 | C2 | C4 | H7 | 178.4° | 65.0° |
| C2 | C3 | N2 | C8 | 177.9° | 180.0° |
| C2 | C3 | N2 | H15 | 2.1° | 0.0° |
| C4 | C2 | C3 | O1 | 56.5° | 94.1° |
| C2 | C4 | C5 | H6 | 120.7° | 120.0° |
| C2 | C4 | C5 | H7 | 120.7° | 120.0° |
| C2 | C4 | C5 | C6 | 65.2° | 65.0° |
| C2 | C4 | C5 | C7 | 170.4° | 175.0° |
| C4 | C2 | N1 | H1 | 65.9° | 83.0° |
| C2 | C4 | H6 | H7 | 117.7° | 120.1° |
| C2 | C4 | C5 | H8 | 54.0° | 55.0° |
| C4 | C2 | C3 | N2 | 124.5° | 86.0° |
| O1 | C3 | C2 | H5 | 178.4° | 145.8° |
| O1 | C3 | N2 | C8 | 1.1° | 0.0° |
| O1 | C3 | N2 | H15 | 178.9° | 179.9° |
| C4 | C5 | C6 | C7 | 122.6° | 120.0° |
| C4 | C5 | C6 | H8 | 118.9° | 120.0° |
| C4 | C5 | C7 | H8 | 116.4° | 120.0° |
| C5 | C4 | C2 | H5 | 61.0° | 55.0° |
| C5 | C4 | H6 | H7 | 117.8° | 119.9° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | H10 | 60.0° | 60.0° |
| 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 | 118.6° | 120.1° |
| C6 | C5 | C4 | H6 | 174.1° | 55.0° |
| C6 | C5 | C4 | H7 | 55.6° | 175.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H12 | 54.9° | 180.0° |
| C6 | C5 | C7 | H13 | 174.9° | 60.0° |
| C6 | C5 | C7 | H14 | 65.1° | 59.9° |
| C7 | C5 | C4 | H6 | 49.7° | 65.0° |
| C7 | C5 | C4 | H7 | 68.8° | 55.0° |
| C7 | C5 | C6 | H9 | 57.4° | 60.0° |
| C7 | C5 | C6 | H10 | 62.6° | 179.9° |
| C7 | C5 | C6 | H11 | 177.4° | 59.9° |
| C5 | C7 | H12 | H13 | 120.0° | 119.9° |
| C5 | C7 | H12 | H14 | 120.0° | 120.1° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| H1 | N1 | C1 | H2 | 59.5° | 59.1° |
| H1 | N1 | C1 | H3 | 60.5° | 179.0° |
| H1 | N1 | C1 | H4 | 179.5° | 60.9° |
| H1 | N1 | C2 | H5 | 173.0° | 157.0° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H5 | C2 | C4 | H6 | 178.2° | 65.0° |
| H5 | C2 | C4 | H7 | 59.7° | 175.0° |
| H5 | C2 | C3 | N2 | 2.6° | 34.1° |
| H6 | C4 | C5 | H8 | 66.7° | 175.0° |
| H7 | C4 | C5 | H8 | 174.7° | 65.0° |
| H8 | C5 | C6 | H9 | 61.0° | 60.1° |
| H8 | C5 | C6 | H10 | 178.9° | 60.0° |
| H8 | C5 | C6 | H11 | 58.9° | 180.0° |
| H8 | C5 | C7 | H12 | 63.6° | 59.9° |
| H8 | C5 | C7 | H13 | 56.4° | 60.0° |
| H8 | C5 | C7 | H14 | 176.4° | 180.0° |
| H9 | C6 | H10 | H11 | 119.9° | 120.0° |
| H12 | C7 | H13 | H14 | 120.0° | 120.0° |
| N2 | C8 | C9 | C10 | 131.4° | 119.8° |
| N2 | C8 | C9 | H16 | 116.1° | 120.8° |
| N2 | C8 | C10 | H16 | 115.1° | 120.3° |
| N2 | C8 | C9 | O2 | 169.1° | 37.4° |
| N2 | C8 | C10 | O3 | 46.5° | 58.6° |
| N2 | C8 | C10 | C11 | 74.9° | 178.4° |
| C8 | N2 | H15 | C3 | 180.0° | 180.0° |
| N2 | C8 | C10 | H17 | 164.4° | 62.5° |
| N2 | C8 | C9 | N3 | 8.5° | 142.4° |
| C9 | C8 | C10 | H16 | 112.9° | 119.8° |
| C8 | C9 | O2 | N3 | 177.5° | 179.8° |
| C9 | C8 | C10 | O3 | 178.5° | 61.3° |
| C9 | C8 | C10 | C11 | 57.1° | 58.5° |
| C9 | C8 | N2 | H15 | 57.7° | 95.1° |
| C9 | C8 | C10 | H17 | 63.6° | 177.6° |
| C8 | C9 | N3 | C17 | 166.2° | 178.4° |
| C8 | C9 | N3 | H22 | 13.8° | 1.2° |
| C9 | C8 | N2 | C3 | 122.3° | 85.0° |
| C10 | C8 | C9 | O2 | 59.5° | 82.4° |
| C8 | C10 | O3 | C11 | 122.8° | 117.8° |
| C8 | C10 | O3 | H17 | 116.5° | 121.1° |
| C8 | C10 | C11 | H17 | 120.2° | 119.2° |
| C8 | C10 | C11 | C12 | 99.4° | 79.1° |
| C8 | C10 | C11 | C13 | 77.5° | 101.2° |
| C10 | C8 | N2 | H15 | 72.5° | 24.3° |
| C8 | C10 | O3 | H18 | 180.0° | 180.0° |
| C10 | C8 | N2 | C3 | 107.4° | 155.6° |
| C10 | C8 | C9 | N3 | 122.9° | 97.8° |
| O2 | C9 | C8 | H16 | 53.1° | 158.2° |
| O2 | C9 | N3 | C17 | 11.3° | 1.4° |
| O2 | C9 | N3 | H22 | 168.7° | 179.0° |
| CL1 | C14 | C12 | C11 | 179.4° | 177.4° |
| CL1 | C14 | C12 | C16 | 178.8° | 179.5° |
| CL1 | C14 | C16 | C15 | 176.5° | 173.3° |
| CL1 | C14 | C16 | O4 | 5.4° | 11.9° |
| CL1 | C14 | C12 | H19 | 0.6° | 3.0° |
| O3 | C10 | C11 | H17 | 121.4° | 121.1° |
| O3 | C10 | C11 | C12 | 142.2° | 161.2° |
| O3 | C10 | C11 | C13 | 40.9° | 18.5° |
| O3 | C10 | C8 | H16 | 68.6° | 178.9° |
| C10 | C11 | C12 | C13 | 177.1° | 179.6° |
| C10 | C11 | C12 | C14 | 175.2° | 177.3° |
| C10 | C11 | C13 | C15 | 174.0° | 176.1° |
| C11 | C10 | C8 | H16 | 170.0° | 61.3° |
| C11 | C10 | O3 | H18 | 57.2° | 62.2° |
| C10 | C11 | C12 | H19 | 4.8° | 2.3° |
| C10 | C11 | C13 | H20 | 6.0° | 3.8° |
| C11 | C12 | C14 | H19 | 180.0° | 179.6° |
| C12 | C11 | C13 | C15 | 2.9° | 4.3° |
| C11 | C12 | C14 | C16 | 1.8° | 2.1° |
| C12 | C11 | C10 | H17 | 20.8° | 40.1° |
| C12 | C11 | C13 | H20 | 177.1° | 175.8° |
| C13 | C11 | C12 | C14 | 1.9° | 3.1° |
| C11 | C13 | C15 | H20 | 180.0° | 179.9° |
| C11 | C13 | C15 | C16 | 0.1° | 0.2° |
| C13 | C11 | C10 | H17 | 162.3° | 139.6° |
| C13 | C11 | C12 | H19 | 178.1° | 177.3° |
| C11 | C13 | C15 | H21 | 179.8° | 180.0° |
| C12 | C14 | C16 | C15 | 4.7° | 6.2° |
| C12 | C14 | C16 | O4 | 173.4° | 168.6° |
| C13 | C15 | C16 | C14 | 3.7° | 5.0° |
| C13 | C15 | C16 | H21 | 180.0° | 179.8° |
| C13 | C15 | C16 | O4 | 174.4° | 169.6° |
| C14 | C16 | C15 | O4 | 178.1° | 174.6° |
| C16 | C14 | C12 | H19 | 178.2° | 177.5° |
| C14 | C16 | C15 | H21 | 176.3° | 174.8° |
| C14 | C16 | O4 | C25 | 82.4° | 61.0° |
| C16 | C15 | C13 | H20 | 179.8° | 179.8° |
| C15 | C16 | O4 | C25 | 95.7° | 113.7° |
| O4 | C16 | C15 | H21 | 5.6° | 10.6° |
| C16 | O4 | C25 | C24 | 3.9° | 36.2° |
| C16 | O4 | C25 | C26 | 174.6° | 143.1° |
| H15 | N2 | C8 | H16 | 173.3° | 144.2° |
| H16 | C8 | C10 | H17 | 49.3° | 57.8° |
| H16 | C8 | N2 | C3 | 6.8° | 35.8° |
| H16 | C8 | C9 | N3 | 124.5° | 21.6° |
| H17 | C10 | O3 | H18 | 63.5° | 58.9° |
| H20 | C13 | C15 | H21 | 0.2° | 0.0° |
| C17 | N3 | H22 | C9 | 180.0° | 179.6° |
| N3 | C17 | C18 | C19 | 124.4° | 123.6° |
| N3 | C17 | C18 | H23 | 119.4° | 120.5° |
| N3 | C17 | C19 | H23 | 118.6° | 116.3° |
| N3 | C17 | C18 | O5 | 128.3° | 128.0° |
| N3 | C17 | C19 | C20 | 79.1° | 173.3° |
| N3 | C17 | C19 | H24 | 41.4° | 53.2° |
| N3 | C17 | C19 | H25 | 160.4° | 66.8° |
| N3 | C17 | C18 | N5 | 55.4° | 51.5° |
| H22 | N3 | C17 | C18 | 75.2° | 27.8° |
| H22 | N3 | C17 | C19 | 47.8° | 95.6° |
| H22 | N3 | C17 | H23 | 166.0° | 148.3° |
| C18 | C17 | C19 | H23 | 116.1° | 116.1° |
| C17 | C18 | O5 | N5 | 176.1° | 179.6° |
| C18 | C17 | C19 | C20 | 155.5° | 59.1° |
| C18 | C17 | C19 | H24 | 84.0° | 179.1° |
| C18 | C17 | C19 | H25 | 35.0° | 60.9° |
| C17 | C18 | N5 | C21 | 166.6° | 59.6° |
| C17 | C18 | N5 | H28 | 13.4° | 119.4° |
| C18 | C17 | N3 | C9 | 104.8° | 151.8° |
| C19 | C17 | C18 | O5 | 107.3° | 108.4° |
| C17 | C19 | C20 | H24 | 120.5° | 120.1° |
| C17 | C19 | C20 | H25 | 120.5° | 120.0° |
| C17 | C19 | H24 | H25 | 118.5° | 120.0° |
| C17 | C19 | C20 | O6 | 22.5° | 6.2° |
| C17 | C19 | C20 | N4 | 160.4° | 173.8° |
| C19 | C17 | N3 | C9 | 132.2° | 84.8° |
| C19 | C17 | C18 | N5 | 69.0° | 72.1° |
| H23 | C17 | C18 | O5 | 8.9° | 7.4° |
| H23 | C17 | C19 | C20 | 39.5° | 57.0° |
| H23 | C17 | C19 | H24 | 160.0° | 63.0° |
| H23 | C17 | C19 | H25 | 81.0° | 177.0° |
| H23 | C17 | N3 | C9 | 14.0° | 31.3° |
| H23 | C17 | C18 | N5 | 174.7° | 172.0° |
| O5 | C18 | N5 | C21 | 9.5° | 119.9° |
| O5 | C18 | N5 | H28 | 170.5° | 61.2° |
| C20 | C19 | H24 | H25 | 118.5° | 120.0° |
| C19 | C20 | O6 | N4 | 177.0° | 179.9° |
| C19 | C20 | N4 | H26 | 177.2° | 0.0° |
| C19 | C20 | N4 | H27 | 2.8° | 179.9° |
| H24 | C19 | C20 | O6 | 98.0° | 113.9° |
| H24 | C19 | C20 | N4 | 79.1° | 66.2° |
| H25 | C19 | C20 | O6 | 143.0° | 126.1° |
| H25 | C19 | C20 | N4 | 39.9° | 53.8° |
| O6 | C20 | N4 | H26 | 0.0° | 179.9° |
| O6 | C20 | N4 | H27 | 180.0° | 0.0° |
| C20 | N4 | H26 | H27 | 180.0° | 179.9° |
| C21 | N5 | H28 | C18 | 180.0° | 179.1° |
| N5 | C21 | C22 | C23 | 124.5° | 126.1° |
| N5 | C21 | C22 | H29 | 119.3° | 118.9° |
| N5 | C21 | C23 | H29 | 120.3° | 121.1° |
| N5 | C21 | C22 | O7 | 50.2° | 50.8° |
| N5 | C21 | C23 | C24 | 14.4° | 56.5° |
| N5 | C21 | C23 | C28 | 166.7° | 124.6° |
| N5 | C21 | C22 | N6 | 132.7° | 128.8° |
| H28 | N5 | C21 | C22 | 58.5° | 63.6° |
| H28 | N5 | C21 | C23 | 62.8° | 59.0° |
| H28 | N5 | C21 | H29 | 177.5° | 179.1° |
| C22 | C21 | C23 | H29 | 116.5° | 114.3° |
| C21 | C22 | O7 | N6 | 176.9° | 179.7° |
| C22 | C21 | C23 | C24 | 137.6° | 178.9° |
| C22 | C21 | C23 | C28 | 43.5° | 0.0° |
| C21 | C22 | N6 | C29 | 161.6° | 163.9° |
| C21 | C22 | N6 | H32 | 18.4° | 16.5° |
| C22 | C21 | N5 | C18 | 121.5° | 117.4° |
| C23 | C21 | C22 | O7 | 74.3° | 75.2° |
| C21 | C23 | C24 | C28 | 178.9° | 178.9° |
| C21 | C23 | C24 | C25 | 178.4° | 177.9° |
| C21 | C23 | C24 | H30 | 1.7° | 2.7° |
| C21 | C23 | C28 | C27 | 178.1° | 178.4° |
| C21 | C23 | C28 | H31 | 1.9° | 1.0° |
| C23 | C21 | N5 | C18 | 117.2° | 119.9° |
| C23 | C21 | C22 | N6 | 102.8° | 105.1° |
| H29 | C21 | C22 | O7 | 169.6° | 169.8° |
| H29 | C21 | C23 | C24 | 105.9° | 64.6° |
| H29 | C21 | C23 | C28 | 73.0° | 114.3° |
| H29 | C21 | N5 | C18 | 2.5° | 0.2° |
| H29 | C21 | C22 | N6 | 13.4° | 9.9° |
| O7 | C22 | N6 | C29 | 15.6° | 16.4° |
| O7 | C22 | N6 | H32 | 164.4° | 163.1° |
| C23 | C24 | C25 | H30 | 180.0° | 179.4° |
| C23 | C24 | C25 | C26 | 1.6° | 2.6° |
| C24 | C23 | C28 | C27 | 3.1° | 0.5° |
| C24 | C23 | C28 | H31 | 177.0° | 179.9° |
| C23 | C24 | C25 | O4 | 179.9° | 176.7° |
| C28 | C23 | C24 | C25 | 0.5° | 0.9° |
| C28 | C23 | C24 | H30 | 179.5° | 178.5° |
| C23 | C28 | C27 | C26 | 5.6° | 1.6° |
| C23 | C28 | C27 | H31 | 180.0° | 179.4° |
| C23 | C28 | C27 | O11 | 177.4° | 174.7° |
| C24 | C25 | C26 | O4 | 178.6° | 179.2° |
| C24 | C25 | C26 | O8 | 176.8° | 177.6° |
| C24 | C25 | C26 | C27 | 0.8° | 3.6° |
| H30 | C24 | C25 | C26 | 178.3° | 176.9° |
| H30 | C24 | C25 | O4 | 0.1° | 3.9° |
| C25 | C26 | O8 | C27 | 176.0° | 178.7° |
| C25 | C26 | C27 | C28 | 4.4° | 3.1° |
| C25 | C26 | C27 | O11 | 178.3° | 172.9° |
| C25 | C26 | O8 | C59 | 107.7° | 84.8° |
| O8 | C26 | C27 | C28 | 179.5° | 178.1° |
| C26 | O8 | C59 | C54 | 168.1° | 169.5° |
| C26 | O8 | C59 | O21 | 72.6° | 70.6° |
| C26 | O8 | C59 | H57 | 48.2° | 49.4° |
| O8 | C26 | C25 | O4 | 1.7° | 3.1° |
| O8 | C26 | C27 | O11 | 2.3° | 5.8° |
| C26 | C27 | C28 | O11 | 177.0° | 176.3° |
| C26 | C27 | C28 | H31 | 174.4° | 178.9° |
| C26 | C27 | O11 | C40 | 156.7° | 124.4° |
| C27 | C26 | C25 | O4 | 177.8° | 175.6° |
| C27 | C26 | O8 | C59 | 76.3° | 96.5° |
| C28 | C27 | O11 | C40 | 26.1° | 51.8° |
| H31 | C28 | C27 | O11 | 2.6° | 4.8° |
| C29 | N6 | H32 | C22 | 180.0° | 179.6° |
| N6 | C29 | C30 | C31 | 126.9° | 117.3° |
| N6 | C29 | C30 | H33 | 118.0° | 121.2° |
| N6 | C29 | C31 | H33 | 123.8° | 122.8° |
| N6 | C29 | C30 | O9 | 20.7° | 10.3° |
| N6 | C29 | C31 | C32 | 60.0° | 72.8° |
| N6 | C29 | C31 | C36 | 126.1° | 108.5° |
| N6 | C29 | C30 | N7 | 162.7° | 169.5° |
| H32 | N6 | C29 | C30 | 32.7° | 50.3° |
| H32 | N6 | C29 | C31 | 87.6° | 67.0° |
| H32 | N6 | C29 | H33 | 149.4° | 170.6° |
| C30 | C29 | C31 | H33 | 114.9° | 121.0° |
| C29 | C30 | O9 | N7 | 176.5° | 179.8° |
| C30 | C29 | C31 | C32 | 61.3° | 171.1° |
| C30 | C29 | C31 | C36 | 112.6° | 7.7° |
| C29 | C30 | N7 | C37 | 12.3° | 175.1° |
| C29 | C30 | N7 | H38 | 167.7° | 4.1° |
| C30 | C29 | N6 | C22 | 147.3° | 130.1° |
| C31 | C29 | C30 | O9 | 106.2° | 107.0° |
| C29 | C31 | C32 | C36 | 173.9° | 178.7° |
| C29 | C31 | C32 | C33 | 174.1° | 175.1° |
| C29 | C31 | C32 | H34 | 5.9° | 5.8° |
| C29 | C31 | C36 | C35 | 170.5° | 175.4° |
| C29 | C31 | C36 | H37 | 9.5° | 6.2° |
| C31 | C29 | N6 | C22 | 92.4° | 112.6° |
| C31 | C29 | C30 | N7 | 70.4° | 73.2° |
| H33 | C29 | C30 | O9 | 138.8° | 131.6° |
| H33 | C29 | C31 | C32 | 176.1° | 50.1° |
| H33 | C29 | C31 | C36 | 2.3° | 128.7° |
| H33 | C29 | N6 | C22 | 30.6° | 9.8° |
| H33 | C29 | C30 | N7 | 44.7° | 48.3° |
| O9 | C30 | N7 | C37 | 171.2° | 5.1° |
| O9 | C30 | N7 | H38 | 8.8° | 175.7° |
| C31 | C32 | C33 | H34 | 180.0° | 179.1° |
| C31 | C32 | C33 | C34 | 2.8° | 1.6° |
| C31 | C32 | C33 | H35 | 177.2° | 177.6° |
| C32 | C31 | C36 | C35 | 3.5° | 5.9° |
| C32 | C31 | C36 | H37 | 176.5° | 172.5° |
| C36 | C31 | C32 | C33 | 0.2° | 6.2° |
| C36 | C31 | C32 | H34 | 179.8° | 172.9° |
| C31 | C36 | C35 | C34 | 4.4° | 0.8° |
| C31 | C36 | C35 | H37 | 180.0° | 178.4° |
| C31 | C36 | C35 | C47 | 175.4° | 179.7° |
| C32 | C33 | C34 | H35 | 180.0° | 179.2° |
| C32 | C33 | C34 | O10 | 178.5° | 175.1° |
| C32 | C33 | C34 | C35 | 1.9° | 3.5° |
| H34 | C32 | C33 | C34 | 177.2° | 177.5° |
| H34 | C32 | C33 | H35 | 2.8° | 3.3° |
| C33 | C34 | O10 | C35 | 179.6° | 178.5° |
| C33 | C34 | O10 | H36 | 180.0° | 85.0° |
| C33 | C34 | C35 | C36 | 1.7° | 3.9° |
| C33 | C34 | C35 | C47 | 178.1° | 175.7° |
| H35 | C33 | C34 | O10 | 1.5° | 4.1° |
| H35 | C33 | C34 | C35 | 178.1° | 177.3° |
| O10 | C34 | C35 | C36 | 178.0° | 174.6° |
| O10 | C34 | C35 | C47 | 2.2° | 5.8° |
| C35 | C34 | O10 | H36 | 0.4° | 93.5° |
| C34 | C35 | C36 | C47 | 179.8° | 179.6° |
| C34 | C35 | C36 | H37 | 175.6° | 177.6° |
| C34 | C35 | C47 | C46 | 82.5° | 31.4° |
| C34 | C35 | C47 | C51 | 98.8° | 151.6° |
| C36 | C35 | C47 | C46 | 97.7° | 148.2° |
| C36 | C35 | C47 | C51 | 81.0° | 28.9° |
| H37 | C36 | C35 | C47 | 4.6° | 2.0° |
| N7 | C37 | C44 | C41 | 62.5° | 8.6° |
| N7 | C37 | C45 | O12 | 30.6° | 153.9° |
| N7 | C37 | C45 | C44 | 123.4° | 127.4° |
| N7 | C37 | C45 | H39 | 116.7° | 115.9° |
| N7 | C37 | C44 | H39 | 116.1° | 118.2° |
| N7 | C37 | C44 | O13 | 59.9° | 113.2° |
| C37 | N7 | H38 | C30 | 180.0° | 179.3° |
| N7 | C37 | C44 | H43 | 178.7° | 128.4° |
| N7 | C37 | C45 | N8 | 147.3° | 27.6° |
| O11 | C40 | C38 | C39 | 179.1° | 179.6° |
| O11 | C40 | C38 | C42 | 177.3° | 179.0° |
| O11 | C40 | C39 | C43 | 177.6° | 178.9° |
| O11 | C40 | C39 | CL2 | 0.2° | 0.7° |
| O11 | C40 | C38 | H40 | 2.7° | 0.9° |
| C40 | C38 | C42 | H40 | 180.0° | 180.0° |
| C40 | C38 | C42 | C41 | 1.5° | 0.1° |
| C38 | C40 | C39 | C43 | 3.3° | 0.7° |
| C38 | C40 | C39 | CL2 | 179.3° | 179.8° |
| C40 | C38 | C42 | H41 | 178.5° | 180.0° |
| C38 | C40 | O11 | C27 | 114.3° | 39.2° |
| C39 | C40 | C38 | C42 | 3.6° | 0.5° |
| C40 | C39 | C43 | C41 | 0.8° | 0.2° |
| C40 | C39 | C43 | CL2 | 177.5° | 179.6° |
| C39 | C40 | C38 | H40 | 176.4° | 179.5° |
| C40 | C39 | C43 | H42 | 179.1° | 179.3° |
| C39 | C40 | O11 | C27 | 66.6° | 140.4° |
| C38 | C42 | C41 | H41 | 180.0° | 179.9° |
| C38 | C42 | C41 | C43 | 1.0° | 0.6° |
| C38 | C42 | C41 | C44 | 168.2° | 179.5° |
| C42 | C41 | C43 | C44 | 169.9° | 179.9° |
| C42 | C41 | C43 | C39 | 1.3° | 0.4° |
| C42 | C41 | C44 | C37 | 94.8° | 116.8° |
| C42 | C41 | C44 | O13 | 21.2° | 6.5° |
| C41 | C42 | C38 | H40 | 178.5° | 179.9° |
| C42 | C41 | C43 | H42 | 178.7° | 180.0° |
| C42 | C41 | C44 | H43 | 147.1° | 123.1° |
| C41 | C43 | C39 | H42 | 180.0° | 179.5° |
| C41 | C43 | C39 | CL2 | 178.3° | 179.8° |
| C43 | C41 | C44 | C37 | 74.7° | 63.2° |
| C43 | C41 | C44 | O13 | 169.4° | 173.4° |
| C43 | C41 | C42 | H41 | 179.0° | 179.5° |
| C43 | C41 | C44 | H43 | 43.5° | 56.8° |
| C44 | C41 | C43 | C39 | 168.7° | 179.6° |
| C41 | C44 | C37 | C45 | 173.6° | 133.7° |
| C41 | C44 | C37 | O13 | 122.4° | 121.8° |
| C41 | C44 | C37 | H43 | 118.8° | 119.9° |
| C41 | C44 | O13 | H43 | 125.3° | 116.7° |
| C41 | C44 | C37 | H39 | 53.5° | 109.6° |
| C44 | C41 | C42 | H41 | 11.8° | 0.4° |
| C44 | C41 | C43 | H42 | 11.3° | 0.1° |
| C41 | C44 | O13 | C60 | 69.9° | 85.3° |
| CL2 | C39 | C43 | H42 | 1.7° | 0.2° |
| O12 | C45 | C37 | N8 | 177.8° | 178.6° |
| O12 | C45 | C37 | C44 | 92.9° | 26.5° |
| O12 | C45 | C37 | H39 | 147.3° | 90.3° |
| O12 | C45 | N8 | C52 | 14.6° | 49.6° |
| O12 | C45 | N8 | H44 | 165.4° | 129.5° |
| C45 | C37 | C44 | H39 | 120.1° | 116.6° |
| C45 | C37 | C44 | O13 | 64.0° | 11.9° |
| C45 | C37 | N7 | H38 | 69.8° | 116.7° |
| C45 | C37 | C44 | H43 | 54.9° | 106.4° |
| C37 | C45 | N8 | C52 | 163.2° | 131.8° |
| C37 | C45 | N8 | H44 | 16.8° | 49.1° |
| C45 | C37 | N7 | C30 | 110.2° | 62.5° |
| C37 | C44 | O13 | H43 | 117.5° | 118.6° |
| C44 | C37 | N7 | H38 | 58.2° | 116.8° |
| C44 | C37 | N7 | C30 | 121.8° | 64.0° |
| C44 | C37 | C45 | N8 | 89.3° | 155.0° |
| C37 | C44 | O13 | C60 | 172.9° | 150.0° |
| O13 | C44 | C37 | H39 | 175.9° | 128.6° |
| C44 | O13 | C60 | O24 | 68.4° | 65.0° |
| C44 | O13 | C60 | C61 | 167.6° | 175.0° |
| C44 | O13 | C60 | H62 | 51.3° | 55.0° |
| H38 | N7 | C37 | H39 | 173.7° | 1.2° |
| H39 | C37 | C44 | H43 | 65.2° | 10.2° |
| H39 | C37 | N7 | C30 | 6.3° | 178.0° |
| H39 | C37 | C45 | N8 | 30.5° | 88.3° |
| H40 | C38 | C42 | H41 | 1.5° | 0.0° |
| H43 | C44 | O13 | C60 | 55.4° | 31.4° |
| N8 | C52 | C51 | C47 | 69.8° | 72.5° |
| N8 | C52 | C51 | C50 | 110.6° | 102.8° |
| N8 | C52 | C51 | C53 | 125.0° | 123.5° |
| N8 | C52 | C51 | H45 | 118.2° | 119.5° |
| N8 | C52 | C53 | H45 | 118.2° | 119.0° |
| N8 | C52 | C53 | O16 | 16.1° | 19.9° |
| N8 | C52 | C53 | O17 | 161.2° | 160.0° |
| C52 | N8 | H44 | C45 | 180.0° | 179.3° |
| O14 | C46 | C47 | C48 | 179.5° | 178.5° |
| O14 | C46 | C47 | C51 | 177.5° | 168.5° |
| O14 | C46 | C48 | C49 | 178.6° | 177.3° |
| O14 | C46 | C48 | H47 | 1.4° | 2.0° |
| O14 | C46 | C47 | C35 | 3.7° | 8.7° |
| C46 | C47 | C51 | C35 | 178.7° | 177.1° |
| C47 | C46 | C48 | C49 | 1.9° | 4.1° |
| C46 | C47 | C51 | C50 | 0.8° | 13.8° |
| C46 | C47 | C51 | C52 | 178.8° | 161.4° |
| C47 | C46 | O14 | H46 | 180.0° | 90.0° |
| C47 | C46 | C48 | H47 | 178.1° | 176.6° |
| C48 | C46 | C47 | C51 | 3.1° | 13.0° |
| C46 | C48 | C49 | H47 | 180.0° | 179.3° |
| C46 | C48 | C49 | O15 | 178.9° | 176.9° |
| C46 | C48 | C49 | C50 | 1.6° | 4.0° |
| C48 | C46 | O14 | H46 | 0.5° | 91.4° |
| C48 | C46 | C47 | C35 | 175.7° | 169.8° |
| C47 | C51 | C50 | C49 | 2.5° | 6.2° |
| C47 | C51 | C50 | C52 | 179.5° | 175.4° |
| C47 | C51 | C52 | C53 | 165.1° | 164.0° |
| C47 | C51 | C52 | H45 | 48.4° | 47.0° |
| C47 | C51 | C50 | H49 | 177.5° | 172.6° |
| C48 | C49 | O15 | C50 | 177.5° | 179.0° |
| C48 | C49 | C50 | C51 | 3.8° | 3.0° |
| C48 | C49 | O15 | H48 | 180.0° | 90.0° |
| C48 | C49 | C50 | H49 | 176.2° | 178.1° |
| O15 | C49 | C50 | C51 | 178.8° | 177.9° |
| O15 | C49 | C48 | H47 | 1.1° | 3.8° |
| O15 | C49 | C50 | H49 | 1.2° | 1.0° |
| C49 | C50 | C51 | H49 | 180.0° | 178.8° |
| C49 | C50 | C51 | C52 | 177.9° | 169.2° |
| C50 | C49 | C48 | H47 | 178.4° | 175.3° |
| C50 | C49 | O15 | H48 | 2.5° | 89.1° |
| C50 | C51 | C52 | C53 | 14.4° | 20.7° |
| C50 | C51 | C52 | H45 | 131.2° | 137.7° |
| C50 | C51 | C47 | C35 | 177.9° | 169.0° |
| C51 | C52 | C53 | H45 | 116.9° | 117.4° |
| C51 | C52 | C53 | O16 | 108.8° | 103.7° |
| C51 | C52 | C53 | O17 | 73.9° | 76.4° |
| C51 | C52 | N8 | H44 | 40.4° | 22.0° |
| C52 | C51 | C50 | H49 | 2.1° | 12.0° |
| C52 | C51 | C47 | C35 | 2.5° | 15.7° |
| C51 | C52 | N8 | C45 | 139.7° | 157.1° |
| C52 | C53 | O16 | O17 | 176.8° | 179.9° |
| C53 | C52 | N8 | H44 | 84.7° | 145.7° |
| C52 | C53 | O17 | H50 | 177.0° | 180.0° |
| C53 | C52 | N8 | C45 | 95.3° | 33.4° |
| O16 | C53 | C52 | H45 | 134.3° | 138.9° |
| O16 | C53 | O17 | H50 | 0.0° | 0.1° |
| O17 | C53 | C52 | H45 | 43.0° | 41.0° |
| H44 | N8 | C52 | H45 | 157.9° | 96.6° |
| H45 | C52 | N8 | C45 | 22.1° | 84.3° |
| C55 | C54 | C59 | O18 | 119.6° | 119.9° |
| C55 | C54 | C59 | H51 | 118.6° | 119.9° |
| C55 | C54 | O18 | H51 | 119.9° | 120.1° |
| C54 | C55 | C56 | O19 | 122.9° | 119.9° |
| C54 | C55 | C56 | H52 | 118.5° | 119.8° |
| C54 | C55 | O19 | H52 | 119.0° | 120.1° |
| C54 | C55 | C56 | C57 | 54.8° | 57.0° |
| C54 | C55 | C56 | O20 | 173.2° | 176.9° |
| C54 | C55 | C56 | H53 | 64.6° | 63.0° |
| C55 | C54 | C59 | O21 | 56.8° | 57.6° |
| C55 | C54 | C59 | H57 | 67.5° | 62.4° |
| C55 | C54 | O18 | H58 | 180.0° | 180.0° |
| C54 | C55 | O19 | H59 | 180.0° | 59.9° |
| C55 | C54 | C59 | O8 | 171.8° | 177.6° |
| C59 | C54 | O18 | H51 | 120.9° | 120.2° |
| C59 | C54 | C55 | C56 | 52.1° | 57.0° |
| C59 | C54 | C55 | O19 | 174.1° | 176.9° |
| C59 | C54 | C55 | H52 | 66.3° | 62.9° |
| C54 | C59 | O21 | C57 | 63.8° | 61.1° |
| C54 | C59 | O21 | H57 | 123.1° | 120.0° |
| C54 | C59 | O21 | O8 | 116.5° | 120.0° |
| C54 | C59 | H57 | O8 | 118.7° | 120.1° |
| C59 | C54 | O18 | H58 | 60.8° | 60.3° |
| O18 | C54 | C55 | C56 | 172.9° | 176.9° |
| O18 | C54 | C55 | O19 | 65.2° | 63.2° |
| O18 | C54 | C55 | H52 | 54.4° | 57.0° |
| O18 | C54 | C59 | O21 | 176.4° | 177.5° |
| O18 | C54 | C59 | H57 | 52.1° | 57.6° |
| O18 | C54 | C59 | O8 | 68.6° | 62.5° |
| H51 | C54 | C55 | C56 | 66.3° | 62.9° |
| H51 | C54 | C55 | O19 | 55.6° | 57.0° |
| H51 | C54 | C55 | H52 | 175.2° | 177.2° |
| H51 | C54 | C59 | O21 | 61.8° | 62.3° |
| H51 | C54 | C59 | H57 | 173.9° | 177.7° |
| H51 | C54 | O18 | H58 | 60.1° | 59.9° |
| H51 | C54 | C59 | O8 | 53.2° | 57.7° |
| C56 | C55 | O19 | H52 | 118.0° | 120.3° |
| C55 | C56 | C57 | O20 | 120.9° | 119.9° |
| C55 | C56 | C57 | H53 | 119.3° | 119.9° |
| C55 | C56 | O20 | H53 | 121.5° | 120.1° |
| C55 | C56 | C57 | C58 | 177.3° | 177.6° |
| C55 | C56 | C57 | O21 | 58.6° | 57.6° |
| C55 | C56 | C57 | H54 | 62.2° | 62.4° |
| C56 | C55 | O19 | H59 | 57.0° | 179.5° |
| C55 | C56 | O20 | H60 | 180.0° | 60.0° |
| O19 | C55 | C56 | C57 | 177.7° | 176.9° |
| O19 | C55 | C56 | O20 | 63.8° | 63.2° |
| O19 | C55 | C56 | H53 | 58.3° | 56.9° |
| H52 | C55 | C56 | C57 | 63.7° | 62.8° |
| H52 | C55 | C56 | O20 | 54.7° | 57.1° |
| H52 | C55 | C56 | H53 | 176.9° | 177.2° |
| H52 | C55 | O19 | H59 | 61.0° | 60.2° |
| C57 | C56 | O20 | H53 | 119.0° | 120.2° |
| C56 | C57 | C58 | O21 | 119.3° | 120.0° |
| C56 | C57 | C58 | H54 | 121.0° | 120.0° |
| C56 | C57 | O21 | H54 | 120.3° | 120.0° |
| C56 | C57 | C58 | O22 | 55.9° | 174.9° |
| C56 | C57 | C58 | H55 | 176.1° | 54.8° |
| C56 | C57 | C58 | H56 | 64.4° | 65.1° |
| C56 | C57 | O21 | C59 | 64.3° | 61.1° |
| C57 | C56 | O20 | H60 | 60.5° | 179.7° |
| O20 | C56 | C57 | C58 | 61.8° | 62.5° |
| O20 | C56 | C57 | O21 | 179.5° | 177.5° |
| O20 | C56 | C57 | H54 | 58.7° | 57.5° |
| H53 | C56 | C57 | C58 | 58.0° | 57.7° |
| H53 | C56 | C57 | O21 | 60.8° | 62.3° |
| H53 | C56 | C57 | H54 | 178.4° | 177.7° |
| H53 | C56 | O20 | H60 | 58.5° | 60.1° |
| C58 | C57 | O21 | H54 | 118.6° | 120.0° |
| C57 | C58 | O22 | H55 | 120.3° | 120.0° |
| C57 | C58 | O22 | H56 | 120.3° | 120.0° |
| C57 | C58 | H55 | H56 | 119.2° | 120.0° |
| C58 | C57 | O21 | C59 | 174.6° | 178.8° |
| C57 | C58 | O22 | H61 | 180.0° | 180.0° |
| O21 | C57 | C58 | O22 | 63.4° | 65.1° |
| O21 | C57 | C58 | H55 | 56.9° | 174.8° |
| O21 | C57 | C58 | H56 | 176.3° | 54.9° |
| C57 | O21 | C59 | H57 | 59.3° | 58.9° |
| C57 | O21 | C59 | O8 | 179.7° | 178.9° |
| H54 | C57 | C58 | O22 | 176.9° | 54.8° |
| H54 | C57 | C58 | H55 | 62.9° | 65.2° |
| H54 | C57 | C58 | H56 | 56.6° | 174.8° |
| H54 | C57 | O21 | C59 | 56.0° | 58.9° |
| O22 | C58 | H55 | H56 | 119.3° | 120.0° |
| H55 | C58 | O22 | H61 | 59.7° | 60.0° |
| H56 | C58 | O22 | H61 | 59.7° | 60.0° |
| O21 | C59 | H57 | O8 | 117.0° | 120.0° |
| O24 | C60 | C61 | H62 | 119.4° | 120.0° |
| O24 | C60 | C61 | O13 | 123.7° | 120.0° |
| O24 | C60 | H62 | O13 | 121.8° | 120.0° |
| O24 | C60 | C61 | C62 | 48.0° | 57.6° |
| O24 | C60 | C61 | H63 | 72.7° | 177.5° |
| O24 | C60 | C61 | H64 | 168.7° | 62.3° |
| C60 | O24 | C64 | C63 | 59.7° | 61.2° |
| C60 | O24 | C64 | C65 | 178.6° | 58.8° |
| C60 | O24 | C64 | H68 | 59.7° | 178.9° |
| C61 | C60 | H62 | O13 | 116.4° | 120.0° |
| C60 | C61 | C62 | H63 | 120.7° | 119.9° |
| C60 | C61 | C62 | H64 | 120.7° | 119.9° |
| C60 | C61 | H63 | H64 | 117.9° | 120.1° |
| C60 | C61 | C62 | C63 | 49.5° | 57.0° |
| C60 | C61 | C62 | N9 | 164.1° | 63.0° |
| C60 | C61 | C62 | C66 | 77.3° | 176.9° |
| C61 | C60 | O24 | C64 | 54.8° | 61.2° |
| H62 | C60 | C61 | C62 | 167.4° | 62.4° |
| H62 | C60 | C61 | H63 | 46.7° | 57.5° |
| H62 | C60 | C61 | H64 | 71.9° | 177.7° |
| H62 | C60 | O24 | C64 | 173.8° | 58.8° |
| C62 | C61 | H63 | H64 | 117.9° | 120.2° |
| C61 | C62 | C63 | N9 | 115.5° | 119.9° |
| C61 | C62 | C63 | C66 | 126.1° | 119.9° |
| C61 | C62 | N9 | C66 | 121.5° | 120.1° |
| C61 | C62 | N9 | H65 | 180.0° | 60.0° |
| C61 | C62 | N9 | H66 | 60.0° | 176.1° |
| C61 | C62 | C63 | O25 | 176.3° | 62.9° |
| C61 | C62 | C63 | O23 | 65.7° | 176.9° |
| C61 | C62 | C63 | C64 | 54.1° | 57.0° |
| C61 | C62 | C66 | H72 | 180.0° | 60.1° |
| C61 | C62 | C66 | H73 | 60.0° | 180.0° |
| C61 | C62 | C66 | H74 | 60.0° | 59.9° |
| C62 | C61 | C60 | O13 | 75.7° | 177.6° |
| H63 | C61 | C62 | C63 | 71.1° | 176.9° |
| H63 | C61 | C62 | N9 | 43.5° | 56.9° |
| H63 | C61 | C62 | C66 | 162.0° | 63.2° |
| H63 | C61 | C60 | O13 | 163.6° | 62.5° |
| H64 | C61 | C62 | C63 | 170.2° | 62.9° |
| H64 | C61 | C62 | N9 | 75.2° | 177.1° |
| H64 | C61 | C62 | C66 | 43.4° | 57.0° |
| H64 | C61 | C60 | O13 | 45.0° | 57.7° |
| C63 | C62 | N9 | C66 | 122.4° | 120.3° |
| C63 | C62 | N9 | H65 | 63.9° | 179.6° |
| C63 | C62 | N9 | H66 | 56.1° | 56.5° |
| C62 | C63 | O25 | O23 | 117.6° | 120.1° |
| C62 | C63 | O25 | C64 | 122.3° | 119.7° |
| C62 | C63 | O23 | C64 | 119.5° | 119.7° |
| C62 | C63 | O23 | H67 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 177.0° | 62.4° |
| C62 | C63 | C64 | O24 | 59.0° | 57.6° |
| C62 | C63 | C64 | H68 | 61.9° | 177.5° |
| C63 | C62 | C66 | H72 | 56.0° | 59.6° |
| C63 | C62 | C66 | H73 | 176.0° | 60.4° |
| C63 | C62 | C66 | H74 | 64.0° | 179.5° |
| C62 | C63 | O25 | H75 | 180.0° | 180.0° |
| C62 | N9 | H65 | H66 | 120.0° | 123.9° |
| N9 | C62 | C63 | O25 | 68.2° | 177.2° |
| N9 | C62 | C63 | O23 | 49.8° | 57.0° |
| N9 | C62 | C63 | C64 | 169.6° | 62.9° |
| N9 | C62 | C66 | H72 | 61.5° | 179.8° |
| N9 | C62 | C66 | H73 | 58.5° | 59.9° |
| N9 | C62 | C66 | H74 | 178.5° | 60.2° |
| C66 | C62 | N9 | H65 | 58.5° | 60.1° |
| C66 | C62 | N9 | H66 | 178.5° | 63.8° |
| C66 | C62 | C63 | O25 | 50.2° | 56.9° |
| C66 | C62 | C63 | O23 | 168.2° | 63.2° |
| C66 | C62 | C63 | C64 | 71.9° | 176.8° |
| C62 | C66 | H72 | H73 | 120.0° | 120.0° |
| C62 | C66 | H72 | H74 | 120.0° | 120.0° |
| C62 | C66 | H73 | H74 | 120.0° | 120.1° |
| O25 | C63 | O23 | C64 | 119.6° | 120.2° |
| O25 | C63 | O23 | H67 | 59.1° | 59.9° |
| O25 | C63 | C64 | C65 | 59.2° | 177.7° |
| O25 | C63 | C64 | O24 | 177.2° | 62.3° |
| O25 | C63 | C64 | H68 | 61.9° | 57.7° |
| O23 | C63 | C64 | C65 | 59.2° | 57.5° |
| O23 | C63 | C64 | O24 | 58.8° | 177.5° |
| O23 | C63 | C64 | H68 | 179.7° | 62.5° |
| O23 | C63 | O25 | H75 | 62.4° | 59.9° |
| C64 | C63 | O23 | H67 | 60.5° | 60.3° |
| C63 | C64 | C65 | O24 | 118.7° | 120.0° |
| C63 | C64 | C65 | H68 | 121.0° | 120.0° |
| C63 | C64 | O24 | H68 | 119.4° | 120.0° |
| C63 | C64 | C65 | H69 | 180.0° | 50.4° |
| C63 | C64 | C65 | H70 | 60.0° | 170.4° |
| C63 | C64 | C65 | H71 | 60.0° | 69.6° |
| C64 | C63 | O25 | H75 | 57.7° | 60.3° |
| C65 | C64 | O24 | H68 | 118.9° | 120.0° |
| C64 | C65 | H69 | H70 | 120.0° | 120.0° |
| C64 | C65 | H69 | H71 | 120.0° | 120.0° |
| C64 | C65 | H70 | H71 | 120.0° | 120.0° |
| O24 | C64 | C65 | H69 | 61.3° | 170.4° |
| O24 | C64 | C65 | H70 | 58.7° | 69.6° |
| O24 | C64 | C65 | H71 | 178.7° | 50.3° |
| C64 | O24 | C60 | O13 | 66.5° | 178.9° |
| H68 | C64 | C65 | H69 | 59.0° | 69.6° |
| H68 | C64 | C65 | H70 | 179.0° | 50.4° |
| H68 | C64 | C65 | H71 | 61.0° | 170.3° |
| H69 | C65 | H70 | H71 | 120.0° | 120.0° |
| H72 | C66 | H73 | H74 | 120.0° | 120.0° |
