PRD_000207
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 0.00Å | |
| N1 | C2 | sing | 1.47Å | 22.58Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| C2 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | O1 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.53Å | 23.90Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C5 | C7 | sing | 1.53Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C1 | H4 | sing | 1.09Å | 0.00Å | |
| 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 | 0.00Å | |
| C6 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| C6 | H11 | sing | 1.09Å | 0.00Å | |
| C7 | H12 | sing | 1.09Å | 0.00Å | |
| C7 | H13 | sing | 1.09Å | 0.00Å | |
| C7 | H14 | sing | 1.09Å | 0.00Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.56Å | |
| C9 | O2 | doub | 1.21Å | 1.21Å | |
| CL1 | C14 | sing | 1.74Å | 1.70Å | |
| C10 | O3 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | O4 | sing | 1.37Å | 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 | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| 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 | 1.31Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | C21 | sing | 1.47Å | 1.46Å | |
| N5 | H28 | sing | 0.98Å | 1.00Å | |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C21 | C23 | sing | 1.50Å | 1.52Å | |
| C21 | H29 | sing | 1.08Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.22Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | O8 | sing | 1.36Å | 1.38Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | C29 | sing | 1.43Å | 1.43Å | |
| N6 | H32 | sing | 0.98Å | 1.00Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C31 | sing | 1.50Å | 1.53Å | |
| C29 | H33 | sing | 1.11Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.42Å | 1.38Å | Aromatic |
| C34 | O10 | sing | 1.36Å | 1.37Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| O10 | H35 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | doub | 1.37Å | 1.39Å | Aromatic |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| N7 | C37 | sing | 1.45Å | 1.44Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | C39 | sing | 1.54Å | 1.54Å | |
| C38 | O11 | doub | 1.23Å | 1.22Å | |
| C39 | O12 | sing | 1.42Å | 1.41Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.37Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| C45 | O13 | sing | 1.37Å | 1.40Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| C37 | H39 | sing | 1.07Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| N8 | C52 | sing | 1.43Å | 1.45Å | |
| O14 | C46 | sing | 1.36Å | 1.37Å | |
| C46 | C47 | sing | 1.41Å | 1.39Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C51 | doub | 1.40Å | 1.41Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.38Å | Aromatic |
| C49 | O15 | sing | 1.36Å | 1.36Å | |
| C49 | C50 | doub | 1.39Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.50Å | 1.53Å | |
| C52 | C53 | sing | 1.50Å | 1.55Å | |
| C53 | O16 | doub | 1.21Å | 1.26Å | |
| C53 | O17 | sing | 1.34Å | 1.24Å | |
| N8 | H45 | sing | 0.98Å | 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 | O18 | sing | 1.43Å | 1.41Å | |
| C55 | C56 | sing | 1.53Å | 1.51Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | C59 | sing | 1.53Å | 1.52Å | |
| C56 | N9 | sing | 1.47Å | 1.51Å | |
| C57 | C58 | sing | 1.53Å | 1.51Å | |
| C57 | O19 | sing | 1.43Å | 1.42Å | |
| C58 | O18 | sing | 1.43Å | 1.45Å | |
| C58 | C60 | sing | 1.53Å | 1.58Å | |
| C54 | H52 | sing | 1.09Å | 1.10Å | |
| C55 | H53 | sing | 1.09Å | 1.10Å | |
| C55 | H54 | sing | 1.09Å | 1.10Å | |
| C57 | H55 | sing | 1.09Å | 1.10Å | |
| C59 | H56 | sing | 1.09Å | 1.10Å | |
| C59 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | H58 | sing | 1.09Å | 1.10Å | |
| N9 | H59 | sing | 1.01Å | 1.00Å | |
| N9 | H60 | sing | 1.01Å | 1.00Å | |
| C58 | H61 | sing | 1.09Å | 1.10Å | |
| O19 | H62 | sing | 0.97Å | 0.95Å | |
| C60 | H63 | sing | 1.09Å | 1.10Å | |
| C60 | H64 | sing | 1.09Å | 1.10Å | |
| C60 | H65 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.50Å | |
| C61 | C66 | sing | 1.53Å | 1.51Å | |
| C61 | O20 | sing | 1.43Å | 1.43Å | |
| C61 | H66 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.51Å | |
| C62 | O21 | sing | 1.43Å | 1.42Å | |
| C62 | H67 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.55Å | |
| C63 | O22 | sing | 1.43Å | 1.49Å | |
| C63 | H68 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.48Å | |
| C64 | O23 | sing | 1.43Å | 1.44Å | |
| C64 | H69 | sing | 1.09Å | 1.10Å | |
| C65 | O24 | sing | 1.43Å | 1.43Å | |
| C65 | H70 | sing | 1.09Å | 1.10Å | |
| C65 | H71 | sing | 1.09Å | 1.10Å | |
| C66 | O23 | sing | 1.43Å | 1.42Å | |
| C66 | H72 | sing | 1.09Å | 1.10Å | |
| O21 | H73 | sing | 0.97Å | 0.95Å | |
| O22 | H74 | sing | 0.97Å | 0.95Å | |
| O24 | H75 | sing | 0.97Å | 0.95Å | |
| C67 | C68 | sing | 1.53Å | 1.44Å | |
| C67 | O28 | sing | 1.43Å | 1.47Å | |
| C67 | H76 | sing | 1.09Å | 1.10Å | |
| C68 | C69 | sing | 1.53Å | 1.49Å | |
| C68 | O25 | sing | 1.43Å | 1.43Å | |
| C68 | H77 | sing | 1.09Å | 1.10Å | |
| C69 | C70 | sing | 1.53Å | 1.49Å | |
| C69 | O26 | sing | 1.43Å | 1.41Å | |
| C69 | H78 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.53Å | 1.54Å | |
| C70 | O27 | sing | 1.43Å | 1.43Å | |
| C70 | H79 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.53Å | 1.48Å | |
| C71 | O28 | sing | 1.43Å | 1.42Å | |
| C71 | H80 | sing | 1.09Å | 1.10Å | |
| C72 | H81 | sing | 1.09Å | 1.10Å | |
| C72 | H82 | sing | 1.09Å | 1.10Å | |
| C72 | H83 | sing | 1.09Å | 1.10Å | |
| O25 | H84 | sing | 0.97Å | 0.95Å | |
| O26 | H85 | sing | 0.97Å | 0.95Å | |
| O27 | H86 | sing | 0.97Å | 0.95Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.34Å | 1.32Å | |
| O4 | C27 | sing | 1.37Å | 1.39Å | |
| C18 | N5 | sing | 1.34Å | 1.34Å | |
| C22 | N6 | sing | 1.33Å | 1.34Å | |
| C25 | O13 | sing | 1.38Å | 1.38Å | |
| C30 | N7 | sing | 1.34Å | 1.35Å | |
| C33 | C47 | sing | 1.48Å | 1.51Å | |
| C38 | N8 | sing | 1.35Å | 1.33Å | |
| O8 | C66 | sing | 1.43Å | 1.40Å | |
| O12 | C54 | sing | 1.43Å | 1.40Å | |
| O20 | C67 | sing | 1.43Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 90.0° | 111.0° |
| C1 | N1 | H1 | 90.0° | 111.0° |
| N1 | C1 | H2 | 90.0° | 109.5° |
| N1 | C1 | H3 | 90.0° | 109.4° |
| N1 | C1 | H4 | 90.0° | 109.5° |
| N1 | C2 | C3 | 48.8° | 109.5° |
| N1 | C2 | C4 | 151.3° | 109.5° |
| C2 | N1 | H1 | 90.0° | 111.0° |
| N1 | C2 | H5 | 90.5° | 109.5° |
| C3 | C2 | C4 | 102.8° | 109.5° |
| C2 | C3 | O1 | 121.4° | 120.0° |
| C3 | C2 | H5 | 98.1° | 109.5° |
| C2 | C3 | N2 | 110.5° | 120.0° |
| C2 | C4 | C5 | 27.0° | 109.5° |
| C4 | C2 | H5 | 98.5° | 109.5° |
| C2 | C4 | H6 | 124.2° | 109.5° |
| C2 | C4 | H7 | 124.2° | 109.5° |
| O1 | C3 | N2 | 128.1° | 120.0° |
| C4 | C5 | C6 | 90.0° | 109.4° |
| C4 | C5 | C7 | 90.0° | 109.5° |
| C5 | C4 | H6 | 124.2° | 109.5° |
| C5 | C4 | H7 | 124.1° | 109.4° |
| C4 | C5 | H8 | 90.0° | 109.5° |
| C6 | C5 | C7 | 90.0° | 109.5° |
| C6 | C5 | H8 | 90.0° | 109.5° |
| C5 | C6 | H9 | 90.0° | 109.4° |
| C5 | C6 | H10 | 90.0° | 109.5° |
| C5 | C6 | H11 | 90.0° | 109.4° |
| C7 | C5 | H8 | 90.0° | 109.5° |
| C5 | C7 | H12 | 90.0° | 109.5° |
| C5 | C7 | H13 | 90.0° | 109.5° |
| C5 | C7 | H14 | 90.0° | 109.5° |
| H2 | C1 | H3 | 90.0° | 109.5° |
| H2 | C1 | H4 | 90.0° | 109.5° |
| H3 | C1 | H4 | 90.0° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C6 | H10 | 90.0° | 109.5° |
| H9 | C6 | H11 | 90.0° | 109.5° |
| H10 | C6 | H11 | 90.0° | 109.5° |
| H12 | C7 | H13 | 90.0° | 109.4° |
| H12 | C7 | H14 | 90.0° | 109.5° |
| H13 | C7 | H14 | 90.0° | 109.5° |
| N2 | C8 | C9 | 114.6° | 109.0° |
| N2 | C8 | C10 | 113.6° | 109.2° |
| C8 | N2 | H15 | 123.3° | 119.9° |
| N2 | C8 | H16 | 106.7° | 109.3° |
| C8 | N2 | C3 | 113.4° | 120.0° |
| C9 | C8 | C10 | 110.0° | 110.6° |
| C8 | C9 | O2 | 117.8° | 118.9° |
| C9 | C8 | H16 | 105.7° | 109.3° |
| C8 | C9 | N3 | 118.8° | 120.7° |
| C8 | C10 | O3 | 109.6° | 109.5° |
| C8 | C10 | C11 | 112.4° | 109.0° |
| C10 | C8 | H16 | 105.4° | 109.5° |
| C8 | C10 | H17 | 107.9° | 109.5° |
| O2 | C9 | N3 | 123.4° | 120.4° |
| CL1 | C14 | C12 | 121.7° | 119.3° |
| CL1 | C14 | C16 | 119.4° | 120.8° |
| O3 | C10 | C11 | 108.8° | 110.0° |
| O3 | C10 | H17 | 109.8° | 109.4° |
| C10 | O3 | H18 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.0° | 120.2° |
| C10 | C11 | C13 | 122.5° | 120.2° |
| C11 | C10 | H17 | 108.4° | 109.5° |
| C12 | C11 | C13 | 118.4° | 119.6° |
| C11 | C12 | C14 | 121.2° | 120.3° |
| C11 | C12 | H19 | 119.4° | 120.5° |
| C11 | C13 | C15 | 120.6° | 120.4° |
| C11 | C13 | H20 | 119.7° | 119.7° |
| C12 | C14 | C16 | 118.9° | 119.9° |
| C14 | C12 | H19 | 119.4° | 119.2° |
| C13 | C15 | C16 | 120.1° | 119.9° |
| C15 | C13 | H20 | 119.7° | 119.8° |
| C13 | C15 | H21 | 119.9° | 120.1° |
| C14 | C16 | C15 | 120.7° | 119.9° |
| C14 | C16 | O4 | 120.1° | 119.1° |
| C15 | C16 | O4 | 119.2° | 121.1° |
| C16 | C15 | H21 | 119.9° | 120.0° |
| C16 | O4 | C27 | 115.2° | 109.8° |
| H15 | N2 | C3 | 123.3° | 120.0° |
| C17 | N3 | H22 | 119.7° | 119.7° |
| N3 | C17 | C18 | 115.2° | 110.8° |
| N3 | C17 | C19 | 110.7° | 108.9° |
| N3 | C17 | H23 | 107.8° | 110.0° |
| C17 | N3 | C9 | 120.6° | 120.5° |
| H22 | N3 | C9 | 119.7° | 119.7° |
| C18 | C17 | C19 | 108.9° | 108.4° |
| C18 | C17 | H23 | 107.0° | 109.3° |
| C17 | C18 | O5 | 119.0° | 119.8° |
| C17 | C18 | N5 | 117.1° | 119.2° |
| C19 | C17 | H23 | 106.8° | 109.5° |
| C17 | C19 | C20 | 111.0° | 109.5° |
| C17 | C19 | H24 | 109.1° | 109.5° |
| C17 | C19 | H25 | 109.1° | 109.5° |
| O5 | C18 | N5 | 123.8° | 121.0° |
| C20 | C19 | H24 | 109.1° | 109.5° |
| C20 | C19 | H25 | 109.1° | 109.4° |
| C19 | C20 | O6 | 121.4° | 120.0° |
| C19 | C20 | N4 | 115.1° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| O6 | C20 | N4 | 123.4° | 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 | 120.2° | 117.3° |
| N5 | C21 | C22 | 108.7° | 106.3° |
| N5 | C21 | C23 | 113.9° | 107.6° |
| N5 | C21 | H29 | 109.0° | 109.8° |
| C21 | N5 | C18 | 119.6° | 123.2° |
| H28 | N5 | C18 | 120.2° | 119.5° |
| C22 | C21 | C23 | 108.9° | 111.7° |
| C22 | C21 | H29 | 108.0° | 110.9° |
| C21 | C22 | O7 | 122.1° | 118.6° |
| C21 | C22 | N6 | 115.1° | 122.2° |
| C23 | C21 | H29 | 108.2° | 110.4° |
| C21 | C23 | C24 | 121.4° | 121.4° |
| C21 | C23 | C28 | 120.5° | 119.7° |
| O7 | C22 | N6 | 122.7° | 119.2° |
| C24 | C23 | C28 | 118.0° | 118.9° |
| C23 | C24 | C25 | 121.3° | 119.7° |
| C23 | C24 | H30 | 119.4° | 120.4° |
| C23 | C28 | C27 | 121.2° | 120.7° |
| C23 | C28 | H31 | 119.4° | 120.0° |
| C25 | C24 | H30 | 119.3° | 119.9° |
| C24 | C25 | C26 | 119.6° | 121.9° |
| C24 | C25 | O13 | 123.8° | 118.1° |
| C25 | C26 | O8 | 120.4° | 121.2° |
| C25 | C26 | C27 | 119.5° | 117.6° |
| C26 | C25 | O13 | 116.6° | 119.8° |
| O8 | C26 | C27 | 119.9° | 121.3° |
| C26 | O8 | C66 | 116.6° | 117.0° |
| C26 | C27 | C28 | 120.3° | 120.9° |
| C26 | C27 | O4 | 115.6° | 119.2° |
| C27 | C28 | H31 | 119.4° | 119.3° |
| C28 | C27 | O4 | 124.0° | 119.9° |
| C29 | N6 | H32 | 119.1° | 116.0° |
| N6 | C29 | C30 | 107.6° | 109.4° |
| N6 | C29 | C31 | 117.6° | 116.9° |
| N6 | C29 | H33 | 109.3° | 109.4° |
| C29 | N6 | C22 | 121.8° | 128.4° |
| H32 | N6 | C22 | 119.1° | 115.6° |
| C30 | C29 | C31 | 106.2° | 106.5° |
| C30 | C29 | H33 | 107.8° | 106.6° |
| C29 | C30 | O9 | 118.5° | 122.6° |
| C29 | C30 | N7 | 119.3° | 114.6° |
| C31 | C29 | H33 | 107.9° | 107.6° |
| C29 | C31 | C32 | 119.3° | 123.5° |
| C29 | C31 | C36 | 121.6° | 116.9° |
| O9 | C30 | N7 | 122.0° | 122.8° |
| C32 | C31 | C36 | 118.6° | 119.5° |
| C31 | C32 | C33 | 121.9° | 121.1° |
| C31 | C32 | H34 | 119.0° | 119.6° |
| C31 | C36 | C35 | 120.2° | 120.5° |
| C31 | C36 | H37 | 119.9° | 119.4° |
| C33 | C32 | H34 | 119.1° | 119.3° |
| C32 | C33 | C34 | 118.6° | 118.2° |
| C32 | C33 | C47 | 119.9° | 127.0° |
| C33 | C34 | O10 | 119.8° | 121.3° |
| C33 | C34 | C35 | 119.7° | 120.5° |
| C34 | C33 | C47 | 121.5° | 114.7° |
| O10 | C34 | C35 | 120.4° | 118.2° |
| C34 | O10 | H35 | 109.5° | 114.0° |
| C34 | C35 | C36 | 120.8° | 119.8° |
| C34 | C35 | H36 | 119.6° | 120.0° |
| C36 | C35 | H36 | 119.6° | 120.2° |
| C35 | C36 | H37 | 119.9° | 120.1° |
| N7 | C37 | C38 | 110.5° | 104.9° |
| N7 | C37 | C39 | 109.6° | 109.3° |
| C37 | N7 | H38 | 116.8° | 115.4° |
| N7 | C37 | H39 | 108.0° | 113.3° |
| C37 | N7 | C30 | 126.5° | 129.8° |
| C38 | C37 | C39 | 114.6° | 107.9° |
| C37 | C38 | O11 | 121.2° | 121.9° |
| C38 | C37 | H39 | 106.9° | 111.0° |
| C37 | C38 | N8 | 115.0° | 115.0° |
| C37 | C39 | O12 | 105.4° | 110.8° |
| C37 | C39 | C40 | 107.4° | 107.5° |
| C39 | C37 | H39 | 106.8° | 110.2° |
| C37 | C39 | H40 | 109.4° | 109.1° |
| O11 | C38 | N8 | 123.7° | 123.1° |
| O12 | C39 | C40 | 113.3° | 110.5° |
| O12 | C39 | H40 | 111.4° | 109.7° |
| C39 | O12 | C54 | 115.7° | 114.0° |
| C39 | C40 | C41 | 121.8° | 120.0° |
| C39 | C40 | C42 | 119.4° | 120.6° |
| C40 | C39 | H40 | 109.7° | 109.4° |
| C41 | C40 | C42 | 118.4° | 119.4° |
| C40 | C41 | C43 | 121.4° | 120.6° |
| C40 | C41 | H41 | 119.3° | 119.5° |
| C40 | C42 | C44 | 121.1° | 119.9° |
| C40 | C42 | H42 | 119.4° | 120.1° |
| C41 | C43 | C45 | 118.7° | 119.6° |
| C43 | C41 | H41 | 119.3° | 119.9° |
| C41 | C43 | H43 | 120.7° | 120.4° |
| C42 | C44 | C45 | 119.5° | 120.1° |
| C44 | C42 | H42 | 119.5° | 120.0° |
| C42 | C44 | H44 | 120.2° | 119.0° |
| C43 | C45 | C44 | 120.8° | 119.9° |
| C43 | C45 | O13 | 118.4° | 121.2° |
| C45 | C43 | H43 | 120.6° | 120.1° |
| C44 | C45 | O13 | 120.6° | 118.9° |
| C45 | C44 | H44 | 120.2° | 120.9° |
| C45 | O13 | C25 | 116.3° | 108.2° |
| H38 | N7 | C30 | 116.8° | 114.7° |
| N8 | C52 | C51 | 110.4° | 116.5° |
| N8 | C52 | C53 | 113.0° | 110.1° |
| C52 | N8 | H45 | 118.9° | 116.1° |
| N8 | C52 | H46 | 107.7° | 106.4° |
| C52 | N8 | C38 | 122.3° | 129.4° |
| O14 | C46 | C47 | 117.0° | 120.8° |
| O14 | C46 | C48 | 121.1° | 117.8° |
| C46 | O14 | H47 | 109.5° | 114.0° |
| C47 | C46 | C48 | 121.8° | 121.5° |
| C46 | C47 | C51 | 118.5° | 118.7° |
| C46 | C47 | C33 | 118.4° | 115.8° |
| C46 | C48 | C49 | 119.2° | 118.9° |
| C46 | C48 | H48 | 120.4° | 120.3° |
| C47 | C51 | C50 | 119.9° | 118.4° |
| C47 | C51 | C52 | 120.0° | 122.5° |
| C51 | C47 | C33 | 123.0° | 125.5° |
| C48 | C49 | O15 | 118.9° | 120.4° |
| C48 | C49 | C50 | 120.4° | 120.2° |
| C49 | C48 | H48 | 120.3° | 120.8° |
| O15 | C49 | C50 | 120.6° | 119.4° |
| C49 | O15 | H49 | 109.5° | 114.0° |
| C49 | C50 | C51 | 120.0° | 121.5° |
| C49 | C50 | H50 | 120.0° | 114.8° |
| C50 | C51 | C52 | 120.1° | 118.9° |
| C51 | C50 | H50 | 120.0° | 123.7° |
| C51 | C52 | C53 | 111.9° | 111.1° |
| C51 | C52 | H46 | 106.9° | 105.8° |
| C52 | C53 | O16 | 118.0° | 120.1° |
| C52 | C53 | O17 | 116.5° | 120.0° |
| C53 | C52 | H46 | 106.5° | 106.2° |
| O16 | C53 | O17 | 125.5° | 119.9° |
| C53 | O17 | H51 | 109.5° | 117.0° |
| H45 | N8 | C38 | 118.9° | 114.4° |
| C55 | C54 | O18 | 113.2° | 109.4° |
| C54 | C55 | C56 | 113.1° | 109.2° |
| C55 | C54 | H52 | 107.2° | 109.5° |
| C54 | C55 | H53 | 108.6° | 109.5° |
| C54 | C55 | H54 | 108.6° | 109.5° |
| C55 | C54 | O12 | 108.4° | 109.5° |
| C54 | O18 | C58 | 112.1° | 114.1° |
| O18 | C54 | H52 | 108.3° | 109.5° |
| O18 | C54 | O12 | 111.1° | 109.5° |
| C55 | C56 | C57 | 109.6° | 109.1° |
| C55 | C56 | C59 | 113.4° | 109.6° |
| C55 | C56 | N9 | 107.1° | 109.5° |
| C56 | C55 | H53 | 108.6° | 109.6° |
| C56 | C55 | H54 | 108.6° | 109.5° |
| C57 | C56 | C59 | 111.4° | 109.5° |
| C57 | C56 | N9 | 108.1° | 109.6° |
| C56 | C57 | C58 | 111.6° | 109.1° |
| C56 | C57 | O19 | 111.9° | 109.6° |
| C56 | C57 | H55 | 107.6° | 109.5° |
| C59 | C56 | N9 | 107.1° | 109.6° |
| C56 | C59 | H56 | 109.5° | 109.5° |
| C56 | C59 | H57 | 109.5° | 109.5° |
| C56 | C59 | H58 | 109.4° | 109.5° |
| C56 | N9 | H59 | 109.5° | 111.0° |
| C56 | N9 | H60 | 109.5° | 111.0° |
| C58 | C57 | O19 | 109.0° | 109.5° |
| C57 | C58 | O18 | 109.0° | 109.4° |
| C57 | C58 | C60 | 112.5° | 109.5° |
| C58 | C57 | H55 | 107.7° | 109.5° |
| C57 | C58 | H61 | 110.6° | 109.4° |
| O19 | C57 | H55 | 108.9° | 109.6° |
| C57 | O19 | H62 | 109.5° | 114.0° |
| O18 | C58 | C60 | 103.5° | 109.5° |
| O18 | C58 | H61 | 111.5° | 109.6° |
| C60 | C58 | H61 | 109.6° | 109.5° |
| C58 | C60 | H63 | 109.5° | 109.5° |
| C58 | C60 | H64 | 109.5° | 109.4° |
| C58 | C60 | H65 | 109.5° | 109.5° |
| H52 | C54 | O12 | 108.5° | 109.5° |
| H53 | C55 | H54 | 109.5° | 109.6° |
| H56 | C59 | H57 | 109.4° | 109.5° |
| H56 | C59 | H58 | 109.5° | 109.4° |
| H57 | C59 | H58 | 109.5° | 109.5° |
| H59 | N9 | H60 | 109.5° | 111.0° |
| H63 | C60 | H64 | 109.5° | 109.5° |
| H63 | C60 | H65 | 109.5° | 109.5° |
| H64 | C60 | H65 | 109.4° | 109.5° |
| C62 | C61 | C66 | 110.5° | 109.1° |
| C62 | C61 | O20 | 108.7° | 109.6° |
| C62 | C61 | H66 | 109.2° | 109.5° |
| C61 | C62 | C63 | 109.1° | 109.1° |
| C61 | C62 | O21 | 110.6° | 109.5° |
| C61 | C62 | H67 | 109.1° | 109.5° |
| C66 | C61 | O20 | 109.4° | 109.5° |
| C66 | C61 | H66 | 109.0° | 109.5° |
| C61 | C66 | O23 | 109.6° | 109.4° |
| C61 | C66 | H72 | 109.7° | 109.5° |
| C61 | C66 | O8 | 109.2° | 109.5° |
| O20 | C61 | H66 | 110.1° | 109.6° |
| C61 | O20 | C67 | 116.7° | 114.0° |
| C63 | C62 | O21 | 108.8° | 109.6° |
| C63 | C62 | H67 | 109.0° | 109.5° |
| C62 | C63 | C64 | 111.7° | 109.2° |
| C62 | C63 | O22 | 106.6° | 109.6° |
| C62 | C63 | H68 | 110.5° | 109.5° |
| O21 | C62 | H67 | 110.2° | 109.6° |
| C62 | O21 | H73 | 109.5° | 114.0° |
| C64 | C63 | O22 | 107.3° | 109.5° |
| C64 | C63 | H68 | 110.0° | 109.5° |
| C63 | C64 | C65 | 113.8° | 109.5° |
| C63 | C64 | O23 | 106.7° | 109.4° |
| C63 | C64 | H69 | 108.9° | 109.5° |
| O22 | C63 | H68 | 110.7° | 109.5° |
| C63 | O22 | H74 | 109.5° | 114.1° |
| C65 | C64 | O23 | 107.1° | 109.5° |
| C65 | C64 | H69 | 109.8° | 109.5° |
| C64 | C65 | O24 | 110.3° | 109.5° |
| C64 | C65 | H70 | 109.3° | 109.5° |
| C64 | C65 | H71 | 109.2° | 109.5° |
| O23 | C64 | H69 | 110.4° | 109.5° |
| C64 | O23 | C66 | 113.0° | 114.1° |
| O24 | C65 | H70 | 109.3° | 109.5° |
| O24 | C65 | H71 | 109.3° | 109.5° |
| C65 | O24 | H75 | 109.5° | 114.0° |
| H70 | C65 | H71 | 109.5° | 109.5° |
| O23 | C66 | H72 | 111.0° | 109.5° |
| O23 | C66 | O8 | 106.0° | 109.5° |
| H72 | C66 | O8 | 111.3° | 109.5° |
| C68 | C67 | O28 | 108.5° | 109.4° |
| C68 | C67 | H76 | 108.6° | 109.5° |
| C67 | C68 | C69 | 115.4° | 109.1° |
| C67 | C68 | O25 | 108.3° | 109.5° |
| C67 | C68 | H77 | 107.8° | 109.5° |
| C68 | C67 | O20 | 111.5° | 109.4° |
| O28 | C67 | H76 | 108.2° | 109.5° |
| C67 | O28 | C71 | 115.2° | 114.1° |
| O28 | C67 | O20 | 110.7° | 109.5° |
| H76 | C67 | O20 | 109.2° | 109.5° |
| C69 | C68 | O25 | 110.0° | 109.5° |
| C69 | C68 | H77 | 107.2° | 109.5° |
| C68 | C69 | C70 | 110.2° | 109.1° |
| C68 | C69 | O26 | 109.4° | 109.5° |
| C68 | C69 | H78 | 107.9° | 109.6° |
| O25 | C68 | H77 | 107.9° | 109.6° |
| C68 | O25 | H84 | 109.5° | 114.0° |
| C70 | C69 | O26 | 112.6° | 109.5° |
| C70 | C69 | H78 | 107.8° | 109.5° |
| C69 | C70 | C71 | 108.7° | 109.2° |
| C69 | C70 | O27 | 109.0° | 109.5° |
| C69 | C70 | H79 | 110.5° | 109.5° |
| O26 | C69 | H78 | 108.8° | 109.6° |
| C69 | O26 | H85 | 109.5° | 114.0° |
| C71 | C70 | O27 | 107.3° | 109.5° |
| C71 | C70 | H79 | 109.8° | 109.5° |
| C70 | C71 | C72 | 112.9° | 109.5° |
| C70 | C71 | O28 | 106.5° | 109.4° |
| C70 | C71 | H80 | 108.9° | 109.5° |
| O27 | C70 | H79 | 111.4° | 109.6° |
| C70 | O27 | H86 | 109.5° | 114.0° |
| C72 | C71 | O28 | 108.2° | 109.5° |
| C72 | C71 | H80 | 109.7° | 109.5° |
| C71 | C72 | H81 | 109.5° | 109.4° |
| C71 | C72 | H82 | 109.5° | 109.5° |
| C71 | C72 | H83 | 109.5° | 109.5° |
| O28 | C71 | H80 | 110.5° | 109.4° |
| H81 | C72 | H82 | 109.5° | 109.5° |
| H81 | C72 | H83 | 109.4° | 109.5° |
| H82 | C72 | H83 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 90.0° | 123.9° |
| C1 | N1 | C2 | C3 | 90.0° | 88.2° |
| C1 | N1 | C2 | C4 | 90.0° | 151.8° |
| N1 | C1 | H2 | H3 | 90.0° | 120.0° |
| N1 | C1 | H2 | H4 | 90.0° | 120.0° |
| N1 | C1 | H3 | H4 | 90.0° | 120.0° |
| C1 | N1 | C2 | H5 | 90.0° | 31.8° |
| N1 | C2 | C3 | C4 | 175.8° | 120.0° |
| N1 | C2 | C3 | H5 | 83.5° | 120.0° |
| N1 | C2 | C4 | H5 | 107.0° | 120.0° |
| N1 | C2 | C3 | O1 | 137.5° | 25.5° |
| N1 | C2 | C4 | C5 | 0.0° | 65.0° |
| C2 | N1 | C1 | H2 | 90.0° | 64.9° |
| C2 | N1 | C1 | H3 | 90.0° | 55.1° |
| C2 | N1 | C1 | H4 | 90.0° | 175.1° |
| N1 | C2 | C4 | H6 | 99.4° | 175.0° |
| N1 | C2 | C4 | H7 | 99.3° | 55.0° |
| N1 | C2 | C3 | N2 | 43.1° | 154.6° |
| C3 | C2 | C4 | H5 | 100.4° | 120.0° |
| C2 | C3 | O1 | N2 | 179.2° | 180.0° |
| C3 | C2 | C4 | C5 | 6.6° | 175.0° |
| C3 | C2 | N1 | H1 | 90.0° | 35.7° |
| C3 | C2 | C4 | H6 | 106.0° | 55.0° |
| C3 | C2 | C4 | H7 | 92.7° | 65.0° |
| C2 | C3 | N2 | C8 | 160.9° | 180.0° |
| C2 | C3 | N2 | H15 | 19.0° | 0.0° |
| C4 | C2 | C3 | O1 | 46.7° | 94.5° |
| C2 | C4 | C5 | H6 | 99.3° | 120.1° |
| C2 | C4 | C5 | H7 | 99.4° | 120.0° |
| C2 | C4 | C5 | C6 | 90.0° | 65.0° |
| C2 | C4 | C5 | C7 | 90.0° | 175.0° |
| C4 | C2 | N1 | H1 | 90.0° | 84.3° |
| C2 | C4 | H6 | H7 | 163.6° | 120.0° |
| C2 | C4 | C5 | H8 | 90.0° | 54.9° |
| C4 | C2 | C3 | N2 | 132.7° | 85.4° |
| O1 | C3 | C2 | H5 | 54.0° | 145.5° |
| O1 | C3 | N2 | C8 | 18.4° | 0.1° |
| O1 | C3 | N2 | H15 | 161.7° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 120.0° |
| C4 | C5 | C6 | H8 | 90.0° | 120.0° |
| C4 | C5 | C7 | H8 | 90.0° | 120.1° |
| C5 | C4 | C2 | H5 | 107.0° | 55.0° |
| C5 | C4 | H6 | H7 | 163.6° | 119.9° |
| C4 | C5 | C6 | H9 | 90.0° | 60.0° |
| C4 | C5 | C6 | H10 | 90.0° | 60.0° |
| C4 | C5 | C6 | H11 | 90.0° | 180.0° |
| C4 | C5 | C7 | H12 | 90.0° | 60.1° |
| C4 | C5 | C7 | H13 | 90.0° | 179.9° |
| C4 | C5 | C7 | H14 | 90.0° | 59.9° |
| C6 | C5 | C7 | H8 | 90.0° | 120.0° |
| C6 | C5 | C4 | H6 | 90.0° | 55.1° |
| C6 | C5 | C4 | H7 | 90.0° | 175.0° |
| C5 | C6 | H9 | H10 | 90.0° | 120.0° |
| C5 | C6 | H9 | H11 | 90.0° | 119.9° |
| C5 | C6 | H10 | H11 | 90.0° | 120.0° |
| C6 | C5 | C7 | H12 | 90.0° | 180.0° |
| C6 | C5 | C7 | H13 | 90.0° | 60.0° |
| C6 | C5 | C7 | H14 | 90.0° | 60.0° |
| C7 | C5 | C4 | H6 | 90.0° | 64.9° |
| C7 | C5 | C4 | H7 | 90.0° | 55.0° |
| C7 | C5 | C6 | H9 | 90.0° | 180.0° |
| C7 | C5 | C6 | H10 | 90.0° | 60.0° |
| C7 | C5 | C6 | H11 | 90.0° | 60.0° |
| C5 | C7 | H12 | H13 | 90.0° | 120.0° |
| C5 | C7 | H12 | H14 | 90.0° | 120.0° |
| C5 | C7 | H13 | H14 | 90.0° | 120.0° |
| H1 | N1 | C1 | H2 | 90.0° | 59.0° |
| H1 | N1 | C1 | H3 | 90.0° | 179.0° |
| H1 | N1 | C1 | H4 | 90.0° | 61.0° |
| H1 | N1 | C2 | H5 | 90.0° | 155.7° |
| H2 | C1 | H3 | H4 | 90.0° | 120.0° |
| H5 | C2 | C4 | H6 | 153.6° | 65.0° |
| H5 | C2 | C4 | H7 | 7.7° | 175.0° |
| H5 | C2 | C3 | N2 | 126.6° | 34.6° |
| H6 | C4 | C5 | H8 | 90.0° | 175.0° |
| H7 | C4 | C5 | H8 | 90.0° | 65.1° |
| H8 | C5 | C6 | H9 | 90.0° | 59.9° |
| H8 | C5 | C6 | H10 | 90.0° | 179.9° |
| H8 | C5 | C6 | H11 | 90.0° | 60.0° |
| H8 | C5 | C7 | H12 | 90.0° | 60.0° |
| H8 | C5 | C7 | H13 | 90.0° | 60.0° |
| H8 | C5 | C7 | H14 | 90.0° | 180.0° |
| H9 | C6 | H10 | H11 | 90.0° | 120.1° |
| H12 | C7 | H13 | H14 | 90.0° | 120.0° |
| N2 | C8 | C9 | C10 | 129.5° | 120.0° |
| N2 | C8 | C9 | H16 | 117.2° | 119.4° |
| N2 | C8 | C10 | H16 | 116.5° | 119.6° |
| N2 | C8 | C9 | O2 | 171.7° | 15.9° |
| N2 | C8 | C10 | O3 | 46.1° | 57.9° |
| N2 | C8 | C10 | C11 | 74.9° | 178.2° |
| C8 | N2 | H15 | C3 | 180.0° | 179.9° |
| N2 | C8 | C10 | H17 | 165.6° | 62.0° |
| N2 | C8 | C9 | N3 | 8.1° | 163.0° |
| C9 | C8 | C10 | H16 | 113.5° | 120.5° |
| C8 | C9 | O2 | N3 | 179.7° | 178.9° |
| C9 | C8 | C10 | O3 | 176.1° | 62.0° |
| C9 | C8 | C10 | C11 | 55.1° | 58.3° |
| C9 | C8 | N2 | H15 | 72.4° | 95.0° |
| C9 | C8 | C10 | H17 | 64.4° | 178.0° |
| C8 | C9 | N3 | C17 | 169.3° | 173.4° |
| C8 | C9 | N3 | H22 | 10.7° | 7.3° |
| C9 | C8 | N2 | C3 | 107.6° | 85.0° |
| C10 | C8 | C9 | O2 | 58.9° | 104.2° |
| C8 | C10 | O3 | C11 | 123.2° | 119.7° |
| C8 | C10 | O3 | H17 | 118.3° | 120.0° |
| C8 | C10 | C11 | H17 | 119.1° | 119.7° |
| C8 | C10 | C11 | C12 | 97.9° | 128.5° |
| C8 | C10 | C11 | C13 | 77.5° | 51.9° |
| C10 | C8 | N2 | H15 | 55.2° | 25.8° |
| C8 | C10 | O3 | H18 | 180.0° | 180.0° |
| C10 | C8 | N2 | C3 | 124.8° | 154.1° |
| C10 | C8 | C9 | N3 | 121.4° | 76.9° |
| O2 | C9 | C8 | H16 | 54.5° | 135.2° |
| O2 | C9 | N3 | C17 | 10.4° | 7.7° |
| O2 | C9 | N3 | H22 | 169.6° | 171.5° |
| CL1 | C14 | C12 | C11 | 178.9° | 178.1° |
| CL1 | C14 | C12 | C16 | 179.7° | 179.4° |
| CL1 | C14 | C16 | C15 | 177.7° | 176.9° |
| CL1 | C14 | C16 | O4 | 3.5° | 4.3° |
| CL1 | C14 | C12 | H19 | 1.1° | 1.9° |
| O3 | C10 | C11 | H17 | 119.4° | 120.2° |
| O3 | C10 | C11 | C12 | 140.6° | 8.5° |
| O3 | C10 | C11 | C13 | 44.0° | 171.9° |
| O3 | C10 | C8 | H16 | 70.4° | 177.5° |
| C10 | C11 | C12 | C13 | 175.5° | 179.6° |
| C10 | C11 | C12 | C14 | 172.8° | 179.4° |
| C10 | C11 | C13 | C15 | 174.2° | 178.3° |
| C11 | C10 | C8 | H16 | 168.6° | 62.2° |
| C11 | C10 | O3 | H18 | 56.8° | 60.3° |
| C10 | C11 | C12 | H19 | 7.2° | 0.5° |
| C10 | C11 | C13 | H20 | 5.8° | 2.1° |
| C11 | C12 | C14 | H19 | 180.0° | 180.0° |
| C12 | C11 | C13 | C15 | 1.2° | 2.1° |
| C11 | C12 | C14 | C16 | 0.9° | 1.3° |
| C12 | C11 | C10 | H17 | 21.3° | 111.7° |
| C12 | C11 | C13 | H20 | 178.8° | 177.5° |
| C13 | C11 | C12 | C14 | 2.7° | 1.0° |
| C11 | C13 | C15 | H20 | 180.0° | 179.6° |
| C11 | C13 | C15 | C16 | 2.2° | 0.9° |
| C13 | C11 | C10 | H17 | 163.4° | 67.9° |
| C13 | C11 | C12 | H19 | 177.3° | 179.1° |
| C11 | C13 | C15 | H21 | 177.8° | 179.1° |
| C12 | C14 | C16 | C15 | 2.6° | 2.6° |
| C12 | C14 | C16 | O4 | 176.2° | 176.3° |
| C13 | C15 | C16 | C14 | 4.1° | 1.5° |
| C13 | C15 | C16 | H21 | 180.0° | 179.9° |
| C13 | C15 | C16 | O4 | 174.7° | 177.3° |
| C14 | C16 | C15 | O4 | 178.8° | 178.8° |
| C16 | C14 | C12 | H19 | 179.1° | 178.6° |
| C14 | C16 | C15 | H21 | 175.9° | 178.6° |
| C14 | C16 | O4 | C27 | 88.7° | 62.8° |
| C16 | C15 | C13 | H20 | 177.8° | 178.7° |
| C15 | C16 | O4 | C27 | 90.1° | 116.0° |
| O4 | C16 | C15 | H21 | 5.3° | 2.6° |
| C16 | O4 | C27 | C26 | 170.1° | 118.3° |
| C16 | O4 | C27 | C28 | 9.6° | 62.0° |
| H15 | N2 | C8 | H16 | 170.9° | 145.6° |
| H16 | C8 | C10 | H17 | 49.1° | 57.6° |
| H16 | C8 | N2 | C3 | 9.0° | 34.3° |
| H16 | C8 | C9 | N3 | 125.2° | 43.7° |
| H17 | C10 | O3 | H18 | 61.7° | 60.0° |
| H20 | C13 | C15 | H21 | 2.2° | 1.4° |
| C17 | N3 | H22 | C9 | 180.0° | 179.3° |
| N3 | C17 | C18 | C19 | 125.1° | 119.4° |
| N3 | C17 | C18 | H23 | 119.8° | 121.3° |
| N3 | C17 | C19 | H23 | 117.1° | 120.2° |
| N3 | C17 | C18 | O5 | 127.1° | 22.0° |
| N3 | C17 | C19 | C20 | 59.6° | 65.0° |
| N3 | C17 | C19 | H24 | 60.7° | 174.9° |
| N3 | C17 | C19 | H25 | 179.8° | 54.9° |
| N3 | C17 | C18 | N5 | 57.5° | 159.2° |
| H22 | N3 | C17 | C18 | 65.2° | 3.0° |
| H22 | N3 | C17 | C19 | 58.9° | 116.2° |
| H22 | N3 | C17 | H23 | 175.4° | 123.9° |
| C18 | C17 | C19 | H23 | 115.2° | 119.1° |
| C17 | C18 | O5 | N5 | 175.0° | 178.7° |
| C18 | C17 | C19 | C20 | 172.8° | 55.6° |
| C18 | C17 | C19 | H24 | 67.0° | 64.5° |
| C18 | C17 | C19 | H25 | 52.5° | 175.5° |
| C17 | C18 | N5 | C21 | 172.3° | 158.7° |
| C17 | C18 | N5 | H28 | 7.7° | 23.0° |
| C18 | C17 | N3 | C9 | 114.8° | 176.3° |
| C19 | C17 | C18 | O5 | 107.8° | 141.4° |
| C17 | C19 | C20 | H24 | 120.2° | 120.0° |
| C17 | C19 | C20 | H25 | 120.2° | 120.0° |
| C17 | C19 | H24 | H25 | 119.3° | 120.0° |
| C17 | C19 | C20 | O6 | 33.3° | 6.3° |
| C17 | C19 | C20 | N4 | 148.2° | 173.7° |
| C19 | C17 | N3 | C9 | 121.0° | 64.5° |
| C19 | C17 | C18 | N5 | 67.5° | 39.8° |
| H23 | C17 | C18 | O5 | 7.3° | 99.3° |
| H23 | C17 | C19 | C20 | 57.5° | 174.7° |
| H23 | C17 | C19 | H24 | 177.8° | 54.7° |
| H23 | C17 | C19 | H25 | 62.7° | 65.3° |
| H23 | C17 | N3 | C9 | 4.5° | 55.4° |
| H23 | C17 | C18 | N5 | 177.4° | 79.5° |
| O5 | C18 | N5 | C21 | 2.7° | 22.5° |
| O5 | C18 | N5 | H28 | 177.3° | 155.7° |
| C20 | C19 | H24 | H25 | 119.3° | 120.0° |
| C19 | C20 | O6 | N4 | 178.3° | 179.9° |
| C19 | C20 | N4 | H26 | 178.4° | 4.8° |
| C19 | C20 | N4 | H27 | 1.6° | 175.2° |
| H24 | C19 | C20 | O6 | 153.6° | 113.7° |
| H24 | C19 | C20 | N4 | 28.0° | 66.2° |
| H25 | C19 | C20 | O6 | 86.9° | 126.3° |
| H25 | C19 | C20 | N4 | 91.6° | 53.8° |
| O6 | C20 | N4 | H26 | 0.0° | 175.3° |
| O6 | C20 | N4 | H27 | 180.0° | 4.8° |
| C20 | N4 | H26 | H27 | 180.0° | 180.0° |
| C21 | N5 | H28 | C18 | 180.0° | 178.4° |
| N5 | C21 | C22 | C23 | 124.6° | 117.1° |
| N5 | C21 | C22 | H29 | 118.1° | 119.3° |
| N5 | C21 | C23 | H29 | 121.3° | 119.8° |
| N5 | C21 | C22 | O7 | 47.0° | 130.6° |
| N5 | C21 | C23 | C24 | 164.4° | 113.3° |
| N5 | C21 | C23 | C28 | 18.1° | 66.1° |
| N5 | C21 | C22 | N6 | 136.1° | 49.4° |
| H28 | N5 | C21 | C22 | 44.2° | 7.6° |
| H28 | N5 | C21 | C23 | 77.4° | 112.2° |
| H28 | N5 | C21 | H29 | 161.7° | 127.7° |
| C22 | C21 | C23 | H29 | 117.2° | 123.9° |
| C21 | C22 | O7 | N6 | 176.7° | 180.0° |
| C22 | C21 | C23 | C24 | 42.9° | 3.0° |
| C22 | C21 | C23 | C28 | 139.5° | 177.6° |
| C21 | C22 | N6 | C29 | 160.1° | 133.9° |
| C21 | C22 | N6 | H32 | 19.9° | 45.6° |
| C22 | C21 | N5 | C18 | 135.8° | 170.7° |
| C23 | C21 | C22 | O7 | 77.6° | 112.4° |
| C21 | C23 | C24 | C28 | 177.6° | 179.4° |
| C21 | C23 | C24 | C25 | 177.4° | 175.4° |
| C21 | C23 | C24 | H30 | 2.6° | 6.0° |
| C21 | C23 | C28 | C27 | 176.5° | 177.7° |
| C21 | C23 | C28 | H31 | 3.5° | 2.9° |
| C23 | C21 | N5 | C18 | 102.6° | 69.5° |
| C23 | C21 | C22 | N6 | 99.3° | 67.6° |
| H29 | C21 | C22 | O7 | 165.0° | 11.2° |
| H29 | C21 | C23 | C24 | 74.3° | 126.9° |
| H29 | C21 | C23 | C28 | 103.2° | 53.7° |
| H29 | C21 | N5 | C18 | 18.3° | 50.6° |
| H29 | C21 | C22 | N6 | 18.0° | 168.8° |
| O7 | C22 | N6 | C29 | 16.9° | 46.1° |
| O7 | C22 | N6 | H32 | 163.1° | 134.4° |
| C23 | C24 | C25 | H30 | 180.0° | 178.7° |
| C23 | C24 | C25 | C26 | 1.0° | 6.9° |
| C24 | C23 | C28 | C27 | 1.1° | 1.8° |
| C24 | C23 | C28 | H31 | 178.9° | 177.7° |
| C23 | C24 | C25 | O13 | 179.6° | 167.0° |
| C28 | C23 | C24 | C25 | 0.2° | 4.1° |
| C28 | C23 | C24 | H30 | 179.8° | 174.6° |
| C23 | C28 | C27 | C26 | 0.7° | 2.1° |
| C23 | C28 | C27 | H31 | 180.0° | 179.4° |
| C23 | C28 | C27 | O4 | 179.6° | 178.2° |
| C24 | C25 | C26 | O13 | 179.4° | 173.8° |
| C24 | C25 | C26 | O8 | 177.8° | 174.3° |
| C24 | C25 | C26 | C27 | 1.4° | 7.1° |
| C24 | C25 | O13 | C45 | 22.8° | 55.0° |
| H30 | C24 | C25 | C26 | 179.0° | 171.8° |
| H30 | C24 | C25 | O13 | 0.4° | 14.3° |
| C25 | C26 | O8 | C27 | 176.4° | 178.5° |
| C25 | C26 | C27 | C28 | 0.5° | 4.6° |
| C26 | C25 | O13 | C45 | 157.8° | 119.1° |
| C25 | C26 | C27 | O4 | 179.2° | 175.6° |
| C25 | C26 | O8 | C66 | 69.4° | 85.6° |
| O8 | C26 | C27 | C28 | 176.9° | 176.8° |
| C26 | O8 | C66 | C61 | 169.0° | 168.0° |
| C26 | O8 | C66 | O23 | 73.1° | 72.1° |
| C26 | O8 | C66 | H72 | 47.7° | 48.0° |
| O8 | C26 | C27 | O4 | 2.8° | 3.0° |
| O8 | C26 | C25 | O13 | 2.8° | 11.8° |
| C26 | C27 | C28 | O4 | 179.7° | 179.7° |
| C26 | C27 | C28 | H31 | 179.3° | 177.3° |
| C27 | C26 | C25 | O13 | 179.1° | 166.8° |
| C27 | C26 | O8 | C66 | 114.2° | 95.8° |
| H31 | C28 | C27 | O4 | 0.4° | 2.4° |
| C29 | N6 | H32 | C22 | 180.0° | 179.6° |
| N6 | C29 | C30 | C31 | 126.8° | 127.2° |
| N6 | C29 | C30 | H33 | 117.7° | 118.2° |
| N6 | C29 | C31 | H33 | 124.1° | 123.4° |
| N6 | C29 | C30 | O9 | 22.6° | 98.8° |
| N6 | C29 | C31 | C32 | 126.8° | 44.3° |
| N6 | C29 | C31 | C36 | 61.9° | 135.9° |
| N6 | C29 | C30 | N7 | 161.9° | 81.2° |
| H32 | N6 | C29 | C30 | 26.9° | 21.0° |
| H32 | N6 | C29 | C31 | 92.9° | 100.1° |
| H32 | N6 | C29 | H33 | 143.7° | 137.4° |
| C30 | C29 | C31 | H33 | 115.4° | 114.0° |
| C29 | C30 | O9 | N7 | 175.4° | 180.0° |
| C30 | C29 | C31 | C32 | 112.7° | 78.3° |
| C30 | C29 | C31 | C36 | 58.7° | 101.5° |
| C29 | C30 | N7 | C37 | 13.0° | 168.9° |
| C29 | C30 | N7 | H38 | 167.0° | 14.4° |
| C30 | C29 | N6 | C22 | 153.1° | 158.5° |
| C31 | C29 | C30 | O9 | 104.2° | 134.0° |
| C29 | C31 | C32 | C36 | 171.6° | 179.8° |
| C29 | C31 | C32 | C33 | 168.2° | 172.5° |
| C29 | C31 | C32 | H34 | 11.8° | 8.6° |
| C29 | C31 | C36 | C35 | 171.6° | 175.3° |
| C29 | C31 | C36 | H37 | 8.3° | 4.5° |
| C31 | C29 | N6 | C22 | 87.1° | 80.4° |
| C31 | C29 | C30 | N7 | 71.4° | 46.0° |
| H33 | C29 | C30 | O9 | 140.3° | 19.4° |
| H33 | C29 | C31 | C32 | 2.7° | 167.7° |
| H33 | C29 | C31 | C36 | 174.1° | 12.5° |
| H33 | C29 | N6 | C22 | 36.3° | 42.1° |
| H33 | C29 | C30 | N7 | 44.1° | 160.6° |
| O9 | C30 | N7 | C37 | 171.6° | 11.1° |
| O9 | C30 | N7 | H38 | 8.4° | 165.6° |
| C31 | C32 | C33 | H34 | 180.0° | 178.9° |
| C31 | C32 | C33 | C34 | 4.6° | 4.2° |
| C32 | C31 | C36 | C35 | 0.2° | 4.5° |
| C32 | C31 | C36 | H37 | 179.7° | 175.7° |
| C31 | C32 | C33 | C47 | 176.9° | 170.8° |
| C36 | C31 | C32 | C33 | 3.4° | 7.3° |
| C36 | C31 | C32 | H34 | 176.6° | 171.6° |
| C31 | C36 | C35 | C34 | 2.7° | 1.3° |
| C31 | C36 | C35 | H37 | 180.0° | 179.8° |
| C31 | C36 | C35 | H36 | 177.3° | 178.7° |
| C32 | C33 | C34 | C47 | 178.6° | 175.6° |
| C32 | C33 | C34 | O10 | 179.0° | 176.7° |
| C32 | C33 | C34 | C35 | 2.0° | 1.6° |
| C32 | C33 | C47 | C46 | 97.1° | 134.9° |
| C32 | C33 | C47 | C51 | 79.3° | 42.8° |
| H34 | C32 | C33 | C34 | 175.4° | 174.7° |
| H34 | C32 | C33 | C47 | 3.1° | 10.3° |
| C33 | C34 | O10 | C35 | 179.0° | 178.4° |
| C33 | C34 | O10 | H35 | 180.0° | 96.1° |
| C33 | C34 | C35 | C36 | 1.6° | 4.3° |
| C33 | C34 | C35 | H36 | 178.4° | 175.6° |
| C34 | C33 | C47 | C46 | 81.4° | 50.0° |
| C34 | C33 | C47 | C51 | 102.1° | 132.2° |
| O10 | C34 | C35 | C36 | 177.5° | 174.1° |
| O10 | C34 | C35 | H36 | 2.6° | 6.0° |
| O10 | C34 | C33 | C47 | 0.4° | 1.1° |
| C35 | C34 | O10 | H35 | 1.0° | 85.6° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C34 | C35 | C36 | H37 | 177.3° | 178.6° |
| C35 | C34 | C33 | C47 | 179.4° | 177.2° |
| H36 | C35 | C36 | H37 | 2.8° | 1.5° |
| N7 | C37 | C38 | C39 | 124.5° | 116.5° |
| N7 | C37 | C38 | H39 | 117.3° | 122.8° |
| N7 | C37 | C39 | H39 | 116.8° | 125.1° |
| N7 | C37 | C38 | O11 | 30.0° | 175.5° |
| N7 | C37 | C39 | O12 | 56.6° | 157.7° |
| N7 | C37 | C39 | C40 | 64.5° | 36.9° |
| C37 | N7 | H38 | C30 | 180.0° | 177.2° |
| N7 | C37 | C39 | H40 | 176.5° | 81.5° |
| N7 | C37 | C38 | N8 | 145.8° | 7.1° |
| C38 | C37 | C39 | H39 | 118.2° | 121.3° |
| C37 | C38 | O11 | N8 | 175.5° | 177.2° |
| C38 | C37 | C39 | O12 | 68.3° | 44.1° |
| C38 | C37 | C39 | C40 | 170.6° | 76.7° |
| C38 | C37 | N7 | H38 | 67.0° | 25.1° |
| C38 | C37 | C39 | H40 | 51.5° | 164.9° |
| C37 | C38 | N8 | C52 | 163.8° | 131.4° |
| C37 | C38 | N8 | H45 | 16.2° | 50.5° |
| C38 | C37 | N7 | C30 | 113.0° | 158.2° |
| C39 | C37 | C38 | O11 | 94.5° | 59.0° |
| C37 | C39 | O12 | C40 | 117.2° | 119.0° |
| C37 | C39 | O12 | H40 | 118.6° | 120.4° |
| C37 | C39 | C40 | H40 | 118.9° | 118.3° |
| C37 | C39 | C40 | C41 | 91.3° | 80.3° |
| C37 | C39 | C40 | C42 | 80.9° | 101.1° |
| C39 | C37 | N7 | H38 | 60.3° | 90.4° |
| C39 | C37 | N7 | C30 | 119.7° | 86.3° |
| C39 | C37 | C38 | N8 | 89.7° | 123.5° |
| C37 | C39 | O12 | C54 | 174.3° | 150.0° |
| O11 | C38 | C37 | H39 | 147.3° | 61.8° |
| O11 | C38 | N8 | C52 | 11.9° | 51.2° |
| O11 | C38 | N8 | H45 | 168.1° | 126.9° |
| O12 | C39 | C40 | H40 | 125.2° | 120.8° |
| O12 | C39 | C40 | C41 | 24.6° | 40.7° |
| O12 | C39 | C40 | C42 | 163.2° | 137.9° |
| O12 | C39 | C37 | H39 | 173.4° | 77.2° |
| C39 | O12 | C54 | C55 | 174.1° | 175.0° |
| C39 | O12 | C54 | O18 | 60.9° | 65.1° |
| C39 | O12 | C54 | H52 | 58.0° | 55.0° |
| C39 | C40 | C41 | C42 | 172.3° | 178.6° |
| C39 | C40 | C41 | C43 | 170.8° | 174.9° |
| C39 | C40 | C42 | C44 | 169.6° | 176.2° |
| C40 | C39 | C37 | H39 | 52.3° | 162.0° |
| C39 | C40 | C41 | H41 | 9.2° | 7.0° |
| C39 | C40 | C42 | H42 | 10.4° | 3.7° |
| C40 | C39 | O12 | C54 | 68.5° | 91.1° |
| C40 | C41 | C43 | H41 | 180.0° | 178.1° |
| C41 | C40 | C42 | C44 | 2.9° | 5.2° |
| C40 | C41 | C43 | C45 | 0.7° | 1.5° |
| C41 | C40 | C39 | H40 | 149.8° | 161.5° |
| C41 | C40 | C42 | H42 | 177.1° | 174.9° |
| C40 | C41 | C43 | H43 | 179.3° | 178.9° |
| C42 | C40 | C41 | C43 | 1.5° | 6.5° |
| C40 | C42 | C44 | H42 | 180.0° | 179.9° |
| C40 | C42 | C44 | C45 | 2.1° | 1.0° |
| C42 | C40 | C39 | H40 | 38.0° | 17.1° |
| C42 | C40 | C41 | H41 | 178.5° | 171.6° |
| C40 | C42 | C44 | H44 | 177.9° | 177.0° |
| C41 | C43 | C45 | H43 | 180.0° | 179.6° |
| C41 | C43 | C45 | C44 | 1.6° | 4.7° |
| C41 | C43 | C45 | O13 | 174.0° | 172.0° |
| C42 | C44 | C45 | C43 | 0.2° | 6.0° |
| C42 | C44 | C45 | H44 | 180.0° | 178.0° |
| C42 | C44 | C45 | O13 | 175.2° | 170.8° |
| C43 | C45 | C44 | O13 | 175.4° | 176.8° |
| C45 | C43 | C41 | H41 | 179.3° | 176.5° |
| C43 | C45 | C44 | H44 | 179.8° | 172.0° |
| C43 | C45 | O13 | C25 | 106.4° | 162.2° |
| C45 | C44 | C42 | H42 | 177.9° | 178.9° |
| C44 | C45 | C43 | H43 | 178.4° | 174.9° |
| C44 | C45 | O13 | C25 | 69.1° | 14.6° |
| O13 | C45 | C43 | H43 | 6.1° | 8.5° |
| O13 | C45 | C44 | H44 | 4.8° | 11.2° |
| H38 | N7 | C37 | H39 | 176.4° | 146.4° |
| H39 | C37 | C39 | H40 | 66.7° | 43.6° |
| H39 | C37 | N7 | C30 | 3.6° | 37.0° |
| H39 | C37 | C38 | N8 | 28.5° | 115.7° |
| H40 | C39 | O12 | C54 | 55.8° | 29.5° |
| H41 | C41 | C43 | H43 | 0.7° | 3.0° |
| H42 | C42 | C44 | H44 | 2.1° | 3.1° |
| N8 | C52 | C51 | C47 | 69.5° | 51.9° |
| N8 | C52 | C51 | C50 | 112.0° | 132.9° |
| N8 | C52 | C51 | C53 | 126.8° | 127.3° |
| N8 | C52 | C51 | H46 | 116.9° | 117.9° |
| N8 | C52 | C53 | H46 | 118.1° | 114.8° |
| N8 | C52 | C53 | O16 | 12.3° | 46.8° |
| N8 | C52 | C53 | O17 | 168.0° | 133.2° |
| C52 | N8 | H45 | C38 | 180.0° | 178.4° |
| O14 | C46 | C47 | C48 | 176.1° | 178.8° |
| O14 | C46 | C47 | C51 | 179.2° | 171.4° |
| O14 | C46 | C48 | C49 | 176.5° | 178.1° |
| O14 | C46 | C48 | H48 | 3.5° | 1.4° |
| O14 | C46 | C47 | C33 | 2.6° | 6.5° |
| C46 | C47 | C51 | C33 | 176.5° | 177.7° |
| C47 | C46 | C48 | C49 | 0.5° | 3.1° |
| C46 | C47 | C51 | C50 | 2.3° | 10.9° |
| C46 | C47 | C51 | C52 | 176.3° | 164.3° |
| C47 | C46 | O14 | H47 | 180.0° | 85.1° |
| C47 | C46 | C48 | H48 | 179.5° | 177.4° |
| C48 | C46 | C47 | C51 | 3.1° | 9.8° |
| C46 | C48 | C49 | H48 | 180.0° | 179.5° |
| C46 | C48 | C49 | O15 | 177.7° | 178.6° |
| C46 | C48 | C49 | C50 | 3.0° | 2.4° |
| C48 | C46 | O14 | H47 | 3.8° | 96.1° |
| C48 | C46 | C47 | C33 | 173.5° | 172.2° |
| C47 | C51 | C50 | C49 | 1.1° | 5.8° |
| C47 | C51 | C50 | C52 | 178.5° | 175.4° |
| C47 | C51 | C52 | C53 | 163.7° | 179.1° |
| C47 | C51 | C52 | H46 | 47.4° | 66.1° |
| C47 | C51 | C50 | H50 | 178.9° | 171.8° |
| C48 | C49 | O15 | C50 | 179.3° | 179.0° |
| C48 | C49 | C50 | C51 | 3.8° | 1.0° |
| C48 | C49 | O15 | H49 | 180.0° | 89.9° |
| C48 | C49 | C50 | H50 | 176.2° | 178.8° |
| O15 | C49 | C50 | C51 | 176.9° | 180.0° |
| O15 | C49 | C48 | H48 | 2.3° | 1.9° |
| O15 | C49 | C50 | H50 | 3.1° | 2.2° |
| C49 | C50 | C51 | H50 | 180.0° | 177.6° |
| C49 | C50 | C51 | C52 | 179.7° | 169.6° |
| C50 | C49 | C48 | H48 | 177.0° | 177.1° |
| C50 | C49 | O15 | H49 | 0.7° | 91.1° |
| C50 | C51 | C52 | C53 | 14.9° | 5.7° |
| C50 | C51 | C52 | H46 | 131.1° | 109.1° |
| C50 | C51 | C47 | C33 | 174.2° | 171.4° |
| C51 | C52 | C53 | H46 | 116.5° | 114.5° |
| C51 | C52 | C53 | O16 | 113.2° | 83.9° |
| C51 | C52 | C53 | O17 | 66.6° | 96.1° |
| C51 | C52 | N8 | H45 | 39.9° | 31.4° |
| C52 | C51 | C50 | H50 | 0.4° | 12.8° |
| C52 | C51 | C47 | C33 | 7.2° | 13.4° |
| C51 | C52 | N8 | C38 | 140.1° | 146.7° |
| C52 | C53 | O16 | O17 | 179.7° | 180.0° |
| C53 | C52 | N8 | H45 | 86.3° | 159.1° |
| C52 | C53 | O17 | H51 | 179.7° | 180.0° |
| C53 | C52 | N8 | C38 | 93.7° | 19.0° |
| O16 | C53 | C52 | H46 | 130.4° | 161.6° |
| O16 | C53 | O17 | H51 | 0.0° | 0.0° |
| O17 | C53 | C52 | H46 | 49.9° | 18.4° |
| H45 | N8 | C52 | H46 | 156.3° | 86.2° |
| H46 | C52 | N8 | C38 | 23.7° | 95.7° |
| C55 | C54 | O18 | H52 | 118.7° | 120.0° |
| C55 | C54 | O18 | O12 | 122.3° | 120.0° |
| C54 | C55 | C56 | H53 | 120.5° | 119.9° |
| C54 | C55 | C56 | H54 | 120.5° | 119.9° |
| C54 | C55 | C56 | C57 | 46.9° | 57.0° |
| C54 | C55 | C56 | C59 | 78.2° | 176.9° |
| C54 | C55 | C56 | N9 | 163.9° | 62.9° |
| C55 | C54 | O18 | C58 | 57.1° | 61.1° |
| C55 | C54 | H52 | O12 | 116.9° | 120.0° |
| C54 | C55 | H53 | H54 | 118.4° | 120.1° |
| O18 | C54 | C55 | C56 | 50.0° | 57.6° |
| C54 | O18 | C58 | C57 | 61.2° | 61.1° |
| C54 | O18 | C58 | C60 | 178.9° | 58.8° |
| O18 | C54 | H52 | O12 | 120.7° | 120.0° |
| O18 | C54 | C55 | H53 | 70.5° | 177.5° |
| O18 | C54 | C55 | H54 | 170.6° | 62.3° |
| C54 | O18 | C58 | H61 | 61.2° | 178.9° |
| C55 | C56 | C57 | C59 | 126.3° | 119.9° |
| C55 | C56 | C57 | N9 | 116.4° | 119.9° |
| C55 | C56 | C59 | N9 | 117.9° | 120.2° |
| C55 | C56 | C57 | C58 | 52.4° | 57.0° |
| C55 | C56 | C57 | O19 | 174.9° | 62.9° |
| C56 | C55 | C54 | H52 | 169.3° | 62.4° |
| C56 | C55 | H53 | H54 | 118.3° | 120.2° |
| C55 | C56 | C57 | H55 | 65.6° | 176.8° |
| C55 | C56 | C59 | H56 | 180.0° | 60.0° |
| C55 | C56 | C59 | H57 | 60.0° | 180.0° |
| C55 | C56 | C59 | H58 | 60.0° | 59.9° |
| C55 | C56 | N9 | H59 | 180.0° | 60.0° |
| C55 | C56 | N9 | H60 | 60.0° | 176.1° |
| C56 | C55 | C54 | O12 | 73.7° | 177.6° |
| C57 | C56 | C59 | N9 | 117.9° | 120.2° |
| C56 | C57 | C58 | O19 | 124.2° | 119.9° |
| C56 | C57 | C58 | H55 | 117.9° | 119.9° |
| C56 | C57 | O19 | H55 | 118.8° | 120.2° |
| C56 | C57 | C58 | O18 | 59.3° | 57.6° |
| C56 | C57 | C58 | C60 | 173.5° | 62.4° |
| C57 | C56 | C55 | H53 | 73.6° | 176.9° |
| C57 | C56 | C55 | H54 | 167.4° | 62.9° |
| C57 | C56 | C59 | H56 | 55.8° | 59.6° |
| C57 | C56 | C59 | H57 | 175.8° | 60.4° |
| C57 | C56 | C59 | H58 | 64.2° | 179.5° |
| C57 | C56 | N9 | H59 | 62.0° | 179.6° |
| C57 | C56 | N9 | H60 | 58.0° | 56.4° |
| C56 | C57 | C58 | H61 | 63.6° | 177.6° |
| C56 | C57 | O19 | H62 | 180.0° | 180.0° |
| C59 | C56 | C57 | C58 | 73.9° | 176.9° |
| C59 | C56 | C57 | O19 | 48.6° | 57.0° |
| C59 | C56 | C55 | H53 | 161.2° | 63.2° |
| C59 | C56 | C55 | H54 | 42.3° | 57.0° |
| C59 | C56 | C57 | H55 | 168.2° | 63.3° |
| C56 | C59 | H56 | H57 | 120.0° | 120.0° |
| C56 | C59 | H56 | H58 | 120.0° | 120.0° |
| C56 | C59 | H57 | H58 | 120.0° | 120.1° |
| C59 | C56 | N9 | H59 | 58.1° | 60.2° |
| C59 | C56 | N9 | H60 | 178.1° | 63.7° |
| N9 | C56 | C57 | C58 | 168.8° | 62.9° |
| N9 | C56 | C57 | O19 | 68.7° | 177.2° |
| N9 | C56 | C55 | H53 | 43.4° | 57.0° |
| N9 | C56 | C55 | H54 | 75.6° | 177.2° |
| N9 | C56 | C57 | H55 | 50.8° | 56.9° |
| N9 | C56 | C59 | H56 | 62.1° | 179.8° |
| N9 | C56 | C59 | H57 | 57.9° | 59.8° |
| N9 | C56 | C59 | H58 | 177.9° | 60.3° |
| C56 | N9 | H59 | H60 | 120.0° | 124.0° |
| C58 | C57 | O19 | H55 | 117.2° | 120.1° |
| C57 | C58 | O18 | C60 | 119.9° | 119.9° |
| C57 | C58 | O18 | H61 | 122.4° | 120.0° |
| C57 | C58 | C60 | H61 | 123.5° | 120.0° |
| C58 | C57 | O19 | H62 | 56.1° | 60.3° |
| C57 | C58 | C60 | H63 | 180.0° | 50.1° |
| C57 | C58 | C60 | H64 | 60.0° | 170.1° |
| C57 | C58 | C60 | H65 | 60.0° | 69.9° |
| O19 | C57 | C58 | O18 | 176.5° | 62.4° |
| O19 | C57 | C58 | C60 | 62.3° | 177.7° |
| O19 | C57 | C58 | H61 | 60.6° | 57.7° |
| O18 | C58 | C60 | H61 | 119.0° | 120.1° |
| C58 | O18 | C54 | H52 | 175.8° | 58.9° |
| O18 | C58 | C57 | H55 | 58.6° | 177.4° |
| O18 | C58 | C60 | H63 | 62.5° | 170.0° |
| O18 | C58 | C60 | H64 | 57.5° | 70.0° |
| O18 | C58 | C60 | H65 | 177.5° | 50.0° |
| C58 | O18 | C54 | O12 | 65.2° | 178.9° |
| C60 | C58 | C57 | H55 | 55.6° | 57.5° |
| C58 | C60 | H63 | H64 | 120.0° | 120.0° |
| C58 | C60 | H63 | H65 | 120.0° | 120.0° |
| C58 | C60 | H64 | H65 | 120.0° | 120.0° |
| H52 | C54 | C55 | H53 | 48.8° | 57.5° |
| H52 | C54 | C55 | H54 | 70.1° | 177.7° |
| H53 | C55 | C54 | O12 | 165.7° | 62.5° |
| H54 | C55 | C54 | O12 | 46.8° | 57.7° |
| H55 | C57 | C58 | H61 | 178.5° | 62.5° |
| H55 | C57 | O19 | H62 | 61.2° | 59.8° |
| H56 | C59 | H57 | H58 | 120.0° | 119.9° |
| H61 | C58 | C60 | H63 | 56.5° | 69.9° |
| H61 | C58 | C60 | H64 | 176.5° | 50.1° |
| H61 | C58 | C60 | H65 | 63.5° | 170.1° |
| H63 | C60 | H64 | H65 | 120.0° | 120.0° |
| C62 | C61 | C66 | O20 | 119.6° | 119.9° |
| C62 | C61 | C66 | H66 | 120.0° | 119.8° |
| C62 | C61 | O20 | H66 | 119.5° | 120.2° |
| C61 | C62 | C63 | O21 | 120.8° | 119.9° |
| C61 | C62 | C63 | H67 | 119.0° | 119.9° |
| C61 | C62 | O21 | H67 | 120.8° | 120.2° |
| C61 | C62 | C63 | C64 | 54.9° | 57.0° |
| C61 | C62 | C63 | O22 | 171.8° | 176.9° |
| C61 | C62 | C63 | H68 | 67.9° | 62.9° |
| C62 | C61 | C66 | O23 | 58.1° | 57.6° |
| C62 | C61 | C66 | H72 | 64.0° | 62.4° |
| C61 | C62 | O21 | H73 | 180.0° | 180.0° |
| C62 | C61 | C66 | O8 | 173.8° | 177.6° |
| C62 | C61 | O20 | C67 | 116.7° | 85.1° |
| C66 | C61 | O20 | H66 | 119.7° | 120.2° |
| C66 | C61 | C62 | C63 | 54.2° | 56.9° |
| C66 | C61 | C62 | O21 | 173.9° | 176.9° |
| C66 | C61 | C62 | H67 | 64.7° | 62.9° |
| C61 | C66 | O23 | C64 | 63.8° | 61.2° |
| C61 | C66 | O23 | H72 | 121.3° | 120.0° |
| C61 | C66 | O23 | O8 | 117.7° | 120.0° |
| C61 | C66 | H72 | O8 | 120.9° | 120.0° |
| C66 | C61 | O20 | C67 | 122.6° | 155.2° |
| O20 | C61 | C62 | C63 | 174.3° | 176.9° |
| O20 | C61 | C62 | O21 | 66.1° | 63.2° |
| O20 | C61 | C62 | H67 | 55.3° | 57.0° |
| O20 | C61 | C66 | O23 | 177.7° | 177.5° |
| O20 | C61 | C66 | H72 | 55.6° | 57.5° |
| C61 | O20 | C67 | C68 | 164.3° | 169.2° |
| C61 | O20 | C67 | O28 | 74.8° | 70.9° |
| C61 | O20 | C67 | H76 | 44.3° | 49.2° |
| O20 | C61 | C66 | O8 | 66.6° | 62.5° |
| H66 | C61 | C62 | C63 | 65.6° | 62.9° |
| H66 | C61 | C62 | O21 | 54.0° | 57.0° |
| H66 | C61 | C62 | H67 | 175.4° | 177.2° |
| H66 | C61 | C66 | O23 | 61.8° | 62.3° |
| H66 | C61 | C66 | H72 | 176.1° | 177.7° |
| H66 | C61 | C66 | O8 | 53.8° | 57.7° |
| H66 | C61 | O20 | C67 | 2.9° | 35.1° |
| C63 | C62 | O21 | H67 | 119.4° | 120.2° |
| C62 | C63 | C64 | O22 | 116.5° | 120.0° |
| C62 | C63 | C64 | H68 | 123.0° | 119.9° |
| C62 | C63 | O22 | H68 | 120.2° | 120.1° |
| C62 | C63 | C64 | C65 | 175.1° | 177.6° |
| C62 | C63 | C64 | O23 | 57.2° | 57.6° |
| C62 | C63 | C64 | H69 | 62.0° | 62.4° |
| C63 | C62 | O21 | H73 | 60.2° | 60.4° |
| C62 | C63 | O22 | H74 | 180.0° | 180.0° |
| O21 | C62 | C63 | C64 | 175.6° | 176.8° |
| O21 | C62 | C63 | O22 | 67.4° | 63.2° |
| O21 | C62 | C63 | H68 | 52.9° | 56.9° |
| H67 | C62 | C63 | C64 | 64.2° | 62.9° |
| H67 | C62 | C63 | O22 | 52.8° | 57.0° |
| H67 | C62 | C63 | H68 | 173.1° | 177.2° |
| H67 | C62 | O21 | H73 | 59.3° | 59.8° |
| C64 | C63 | O22 | H68 | 120.0° | 120.1° |
| C63 | C64 | C65 | O23 | 117.7° | 120.0° |
| C63 | C64 | C65 | H69 | 122.4° | 120.0° |
| C63 | C64 | O23 | H69 | 118.3° | 120.0° |
| C63 | C64 | C65 | O24 | 55.8° | 175.0° |
| C63 | C64 | C65 | H70 | 176.0° | 55.0° |
| C63 | C64 | C65 | H71 | 64.3° | 65.0° |
| C63 | C64 | O23 | C66 | 62.1° | 61.1° |
| C64 | C63 | O22 | H74 | 60.2° | 60.3° |
| O22 | C63 | C64 | C65 | 68.4° | 62.5° |
| O22 | C63 | C64 | O23 | 173.7° | 177.5° |
| O22 | C63 | C64 | H69 | 54.5° | 57.5° |
| H68 | C63 | C64 | C65 | 52.1° | 57.7° |
| H68 | C63 | C64 | O23 | 65.8° | 62.3° |
| H68 | C63 | C64 | H69 | 175.0° | 177.7° |
| H68 | C63 | O22 | H74 | 59.8° | 59.9° |
| C65 | C64 | O23 | H69 | 119.5° | 120.0° |
| C64 | C65 | O24 | H70 | 120.1° | 120.0° |
| C64 | C65 | O24 | H71 | 120.1° | 120.0° |
| C64 | C65 | H70 | H71 | 119.6° | 120.0° |
| C65 | C64 | O23 | C66 | 175.7° | 178.9° |
| C64 | C65 | O24 | H75 | 180.0° | 179.9° |
| O23 | C64 | C65 | O24 | 61.9° | 65.1° |
| O23 | C64 | C65 | H70 | 58.3° | 174.9° |
| O23 | C64 | C65 | H71 | 178.0° | 55.0° |
| C64 | O23 | C66 | H72 | 57.5° | 58.8° |
| C64 | O23 | C66 | O8 | 178.5° | 178.9° |
| H69 | C64 | C65 | O24 | 178.2° | 55.0° |
| H69 | C64 | C65 | H70 | 61.7° | 65.0° |
| H69 | C64 | C65 | H71 | 58.1° | 175.0° |
| H69 | C64 | O23 | C66 | 56.2° | 58.8° |
| O24 | C65 | H70 | H71 | 119.6° | 120.0° |
| H70 | C65 | O24 | H75 | 59.8° | 60.1° |
| H71 | C65 | O24 | H75 | 59.9° | 59.9° |
| O23 | C66 | H72 | O8 | 117.8° | 120.0° |
| C68 | C67 | O28 | H76 | 117.7° | 120.0° |
| C68 | C67 | O28 | O20 | 122.6° | 120.0° |
| C68 | C67 | H76 | O20 | 121.7° | 120.0° |
| C67 | C68 | C69 | O25 | 122.9° | 119.8° |
| C67 | C68 | C69 | H77 | 120.1° | 119.9° |
| C67 | C68 | O25 | H77 | 116.4° | 120.2° |
| C67 | C68 | C69 | C70 | 52.8° | 56.9° |
| C67 | C68 | C69 | O26 | 177.1° | 176.8° |
| C67 | C68 | C69 | H78 | 64.6° | 63.0° |
| C68 | C67 | O28 | C71 | 57.3° | 61.1° |
| C67 | C68 | O25 | H84 | 180.0° | 60.0° |
| O28 | C67 | H76 | O20 | 120.6° | 120.0° |
| O28 | C67 | C68 | C69 | 50.2° | 57.6° |
| O28 | C67 | C68 | O25 | 73.6° | 62.3° |
| O28 | C67 | C68 | H77 | 169.9° | 177.5° |
| C67 | O28 | C71 | C70 | 62.6° | 61.1° |
| C67 | O28 | C71 | C72 | 175.7° | 178.9° |
| C67 | O28 | C71 | H80 | 55.6° | 58.9° |
| H76 | C67 | C68 | C69 | 167.6° | 177.6° |
| H76 | C67 | C68 | O25 | 43.9° | 57.8° |
| H76 | C67 | C68 | H77 | 72.7° | 62.5° |
| H76 | C67 | O28 | C71 | 175.1° | 178.9° |
| C69 | C68 | O25 | H77 | 116.6° | 120.2° |
| C68 | C69 | C70 | O26 | 122.4° | 119.9° |
| C68 | C69 | C70 | H78 | 117.5° | 119.9° |
| C68 | C69 | O26 | H78 | 117.6° | 120.2° |
| C68 | C69 | C70 | C71 | 55.5° | 57.0° |
| C68 | C69 | C70 | O27 | 172.2° | 176.9° |
| C68 | C69 | C70 | H79 | 65.1° | 62.9° |
| C69 | C68 | O25 | H84 | 53.0° | 179.7° |
| C68 | C69 | O26 | H85 | 180.0° | 59.9° |
| C69 | C68 | C67 | O20 | 72.0° | 62.4° |
| O25 | C68 | C69 | C70 | 70.1° | 62.9° |
| O25 | C68 | C69 | O26 | 54.3° | 57.0° |
| O25 | C68 | C69 | H78 | 172.5° | 177.2° |
| O25 | C68 | C67 | O20 | 164.2° | 177.7° |
| H77 | C68 | C69 | C70 | 172.9° | 176.9° |
| H77 | C68 | C69 | O26 | 62.8° | 63.2° |
| H77 | C68 | C69 | H78 | 55.4° | 57.0° |
| H77 | C68 | O25 | H84 | 63.6° | 60.2° |
| H77 | C68 | C67 | O20 | 47.7° | 57.5° |
| C70 | C69 | O26 | H78 | 119.5° | 120.2° |
| C69 | C70 | C71 | O27 | 117.8° | 119.9° |
| C69 | C70 | C71 | H79 | 121.0° | 119.9° |
| C69 | C70 | O27 | H79 | 122.2° | 120.1° |
| C69 | C70 | C71 | C72 | 178.8° | 177.5° |
| C69 | C70 | C71 | O28 | 60.2° | 57.6° |
| C69 | C70 | C71 | H80 | 59.1° | 62.4° |
| C70 | C69 | O26 | H85 | 57.1° | 179.6° |
| C69 | C70 | O27 | H86 | 180.0° | 180.0° |
| O26 | C69 | C70 | C71 | 178.0° | 176.9° |
| O26 | C69 | C70 | O27 | 65.4° | 63.2° |
| O26 | C69 | C70 | H79 | 57.4° | 57.0° |
| H78 | C69 | C70 | C71 | 62.0° | 62.9° |
| H78 | C69 | C70 | O27 | 54.7° | 57.0° |
| H78 | C69 | C70 | H79 | 177.4° | 177.2° |
| H78 | C69 | O26 | H85 | 62.3° | 60.3° |
| C71 | C70 | O27 | H79 | 120.3° | 120.2° |
| C70 | C71 | C72 | O28 | 117.7° | 120.0° |
| C70 | C71 | C72 | H80 | 121.7° | 120.1° |
| C70 | C71 | O28 | H80 | 118.2° | 120.0° |
| C70 | C71 | C72 | H81 | 180.0° | 55.5° |
| C70 | C71 | C72 | H82 | 60.0° | 175.5° |
| C70 | C71 | C72 | H83 | 60.0° | 64.5° |
| C71 | C70 | O27 | H86 | 62.4° | 60.3° |
| O27 | C70 | C71 | C72 | 63.5° | 62.5° |
| O27 | C70 | C71 | O28 | 177.9° | 177.5° |
| O27 | C70 | C71 | H80 | 58.7° | 57.6° |
| H79 | C70 | C71 | C72 | 57.8° | 57.7° |
| H79 | C70 | C71 | O28 | 60.8° | 62.3° |
| H79 | C70 | C71 | H80 | 180.0° | 177.8° |
| H79 | C70 | O27 | H86 | 57.8° | 59.9° |
| C72 | C71 | O28 | H80 | 120.1° | 120.0° |
| C71 | C72 | H81 | H82 | 120.0° | 120.0° |
| C71 | C72 | H81 | H83 | 120.0° | 120.0° |
| C71 | C72 | H82 | H83 | 120.0° | 120.0° |
| O28 | C71 | C72 | H81 | 62.4° | 175.5° |
| O28 | C71 | C72 | H82 | 57.6° | 64.6° |
| O28 | C71 | C72 | H83 | 177.7° | 55.5° |
| C71 | O28 | C67 | O20 | 65.3° | 58.8° |
| H80 | C71 | C72 | H81 | 58.3° | 64.6° |
| H80 | C71 | C72 | H82 | 178.3° | 55.4° |
| H80 | C71 | C72 | H83 | 61.7° | 175.5° |
| H81 | C72 | H82 | H83 | 120.0° | 120.0° |
