PRD_001142
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.34Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | C10 | sing | 1.47Å | 1.45Å | |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.54Å | 1.51Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | C15 | sing | 1.48Å | 1.44Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| N4 | C24 | sing | 1.48Å | 1.45Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | O4 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | sing | 1.51Å | 1.48Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.38Å | 1.34Å | Aromatic |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| N5 | C33 | sing | 1.48Å | 1.45Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | O5 | doub | 1.21Å | 1.23Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | O6 | doub | 1.21Å | 1.22Å | |
| C36 | N6 | sing | 1.35Å | 1.31Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| N7 | C37 | sing | 1.48Å | 1.46Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | O7 | doub | 1.21Å | 1.25Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | O8 | doub | 1.21Å | 1.22Å | |
| C41 | N8 | sing | 1.35Å | 1.30Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å | |
| N9 | C42 | sing | 1.48Å | 1.44Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.54Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | O9 | doub | 1.21Å | 1.22Å | |
| C44 | C45 | sing | 1.51Å | 1.49Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | H53 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | doub | 1.38Å | 1.37Å | Aromatic |
| C47 | H54 | sing | 1.08Å | 1.08Å | |
| C48 | C50 | doub | 1.39Å | 1.39Å | Aromatic |
| C48 | H55 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.39Å | 1.38Å | Aromatic |
| C49 | H56 | sing | 1.08Å | 1.08Å | |
| C50 | O10 | sing | 1.36Å | 1.36Å | |
| O10 | H57 | sing | 0.97Å | 0.95Å | |
| N10 | C51 | sing | 1.48Å | 1.45Å | |
| N10 | H58 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.55Å | |
| C51 | H59 | sing | 1.09Å | 1.10Å | |
| C52 | O11 | doub | 1.21Å | 1.22Å | |
| C53 | C54 | sing | 1.53Å | 1.50Å | |
| C53 | C55 | sing | 1.53Å | 1.51Å | |
| C53 | H60 | sing | 1.09Å | 1.10Å | |
| C54 | H61 | sing | 1.09Å | 1.10Å | |
| C54 | H62 | sing | 1.09Å | 1.10Å | |
| C54 | H63 | sing | 1.09Å | 1.10Å | |
| C55 | H64 | sing | 1.09Å | 1.10Å | |
| C55 | H65 | sing | 1.09Å | 1.10Å | |
| C55 | H66 | sing | 1.09Å | 1.10Å | |
| N11 | C56 | sing | 1.48Å | 1.47Å | |
| N11 | H67 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C60 | sing | 1.51Å | 1.52Å | |
| C56 | H68 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | H69 | sing | 1.09Å | 1.10Å | |
| C57 | H70 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | H71 | sing | 1.09Å | 1.10Å | |
| C58 | H72 | sing | 1.09Å | 1.10Å | |
| C59 | N12 | sing | 1.47Å | 1.48Å | |
| C59 | H73 | sing | 1.09Å | 1.10Å | |
| C59 | H74 | sing | 1.09Å | 1.10Å | |
| N12 | H75 | sing | 1.01Å | 1.00Å | |
| N12 | H76 | sing | 1.01Å | 1.00Å | |
| C60 | O12 | doub | 1.21Å | 1.23Å | |
| N13 | C61 | sing | 1.48Å | 1.48Å | |
| N13 | H77 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.52Å | |
| C61 | C63 | sing | 1.53Å | 1.53Å | |
| C61 | H78 | sing | 1.09Å | 1.10Å | |
| C62 | O13 | doub | 1.21Å | 1.22Å | |
| C63 | C64 | sing | 1.53Å | 1.54Å | |
| C63 | H79 | sing | 1.09Å | 1.10Å | |
| C63 | H80 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.54Å | |
| C64 | C66 | sing | 1.53Å | 1.51Å | |
| C64 | H81 | sing | 1.09Å | 1.10Å | |
| C65 | H82 | sing | 1.09Å | 1.10Å | |
| C65 | H83 | sing | 1.09Å | 1.10Å | |
| C65 | H84 | sing | 1.09Å | 1.10Å | |
| C66 | H85 | sing | 1.09Å | 1.10Å | |
| C66 | H86 | sing | 1.09Å | 1.10Å | |
| C66 | H87 | sing | 1.09Å | 1.10Å | |
| N1 | C62 | sing | 1.37Å | 1.32Å | |
| C2 | N2 | sing | 1.35Å | 1.35Å | |
| C11 | N3 | sing | 1.36Å | 1.34Å | |
| C16 | N4 | sing | 1.36Å | 1.32Å | |
| C25 | N5 | sing | 1.36Å | 1.32Å | |
| C34 | N7 | sing | 1.36Å | 1.33Å | |
| C38 | N9 | sing | 1.36Å | 1.32Å | |
| C43 | N10 | sing | 1.36Å | 1.32Å | |
| C52 | N11 | sing | 1.36Å | 1.32Å | |
| C60 | N13 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.7° | 122.2° |
| N1 | C1 | C2 | 109.3° | 108.8° |
| N1 | C1 | C3 | 109.7° | 109.6° |
| N1 | C1 | H2 | 110.3° | 109.6° |
| C1 | N1 | C62 | 120.7° | 115.7° |
| H1 | N1 | C62 | 119.6° | 122.1° |
| C2 | C1 | C3 | 109.3° | 109.5° |
| C2 | C1 | H2 | 109.2° | 109.6° |
| C1 | C2 | O1 | 118.7° | 120.1° |
| C1 | C2 | N2 | 118.2° | 119.8° |
| C3 | C1 | H2 | 109.0° | 109.7° |
| C1 | C3 | C4 | 113.4° | 109.5° |
| C1 | C3 | H3 | 108.5° | 109.4° |
| C1 | C3 | H4 | 108.5° | 109.5° |
| O1 | C2 | N2 | 123.1° | 120.1° |
| C4 | C3 | H3 | 108.5° | 109.4° |
| C4 | C3 | H4 | 108.5° | 109.5° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| C3 | C4 | C6 | 120.2° | 120.0° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| C5 | C4 | C6 | 118.4° | 120.0° |
| C4 | C5 | C7 | 121.0° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C4 | C6 | C8 | 120.8° | 120.0° |
| C4 | C6 | H6 | 119.6° | 120.0° |
| C7 | C5 | H5 | 119.5° | 120.0° |
| C5 | C7 | C9 | 119.6° | 120.1° |
| C5 | C7 | H7 | 120.3° | 120.0° |
| C8 | C6 | H6 | 119.6° | 120.0° |
| C6 | C8 | C9 | 120.7° | 120.0° |
| C6 | C8 | H8 | 119.6° | 120.0° |
| C9 | C7 | H7 | 120.2° | 120.0° |
| C7 | C9 | C8 | 119.5° | 119.9° |
| C7 | C9 | H9 | 120.3° | 120.1° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C10 | N2 | C14 | 111.9° | 109.0° |
| N2 | C10 | C11 | 112.2° | 109.6° |
| N2 | C10 | C12 | 101.6° | 107.9° |
| N2 | C10 | H10 | 110.9° | 109.8° |
| C10 | N2 | C2 | 120.2° | 125.5° |
| N2 | C14 | C13 | 103.5° | 107.8° |
| N2 | C14 | H15 | 110.9° | 109.8° |
| N2 | C14 | H16 | 110.9° | 109.7° |
| C14 | N2 | C2 | 127.7° | 125.5° |
| C11 | C10 | C12 | 112.4° | 109.8° |
| C11 | C10 | H10 | 109.8° | 109.8° |
| C10 | C11 | O2 | 120.6° | 120.5° |
| C10 | C11 | N3 | 115.7° | 119.0° |
| C12 | C10 | H10 | 109.7° | 109.9° |
| C10 | C12 | C13 | 102.0° | 106.3° |
| C10 | C12 | H11 | 111.3° | 110.1° |
| C10 | C12 | H12 | 111.3° | 110.1° |
| O2 | C11 | N3 | 123.6° | 120.5° |
| C13 | C12 | H11 | 111.3° | 110.1° |
| C13 | C12 | H12 | 111.3° | 110.1° |
| C12 | C13 | C14 | 104.3° | 105.8° |
| C12 | C13 | H13 | 110.7° | 110.2° |
| C12 | C13 | H14 | 110.7° | 110.2° |
| H11 | C12 | H12 | 109.5° | 110.0° |
| C14 | C13 | H13 | 110.7° | 110.2° |
| C14 | C13 | H14 | 110.7° | 110.2° |
| C13 | C14 | H15 | 110.9° | 109.9° |
| C13 | C14 | H16 | 110.9° | 109.8° |
| H13 | C13 | H14 | 109.5° | 110.2° |
| H15 | C14 | H16 | 109.5° | 109.8° |
| C15 | N3 | H17 | 118.9° | 122.2° |
| N3 | C15 | C16 | 110.1° | 109.0° |
| N3 | C15 | C17 | 110.1° | 109.5° |
| N3 | C15 | H18 | 109.8° | 109.6° |
| C15 | N3 | C11 | 122.2° | 115.6° |
| H17 | N3 | C11 | 118.9° | 122.2° |
| C16 | C15 | C17 | 110.0° | 109.5° |
| C16 | C15 | H18 | 108.5° | 109.6° |
| C15 | C16 | O3 | 121.1° | 120.6° |
| C15 | C16 | N4 | 116.0° | 118.8° |
| C17 | C15 | H18 | 108.5° | 109.6° |
| C15 | C17 | C18 | 111.9° | 109.5° |
| C15 | C17 | H19 | 108.9° | 109.5° |
| C15 | C17 | H20 | 108.9° | 109.5° |
| O3 | C16 | N4 | 122.8° | 120.6° |
| C18 | C17 | H19 | 108.9° | 109.5° |
| C18 | C17 | H20 | 108.8° | 109.5° |
| C17 | C18 | C19 | 121.0° | 120.0° |
| C17 | C18 | C20 | 119.9° | 120.0° |
| H19 | C17 | H20 | 109.5° | 109.4° |
| C19 | C18 | C20 | 119.2° | 120.0° |
| C18 | C19 | C21 | 120.5° | 120.0° |
| C18 | C19 | H21 | 119.7° | 120.0° |
| C18 | C20 | C22 | 120.6° | 120.0° |
| C18 | C20 | H22 | 119.7° | 120.0° |
| C21 | C19 | H21 | 119.7° | 120.0° |
| C19 | C21 | C23 | 120.2° | 120.0° |
| C19 | C21 | H23 | 119.9° | 120.0° |
| C22 | C20 | H22 | 119.7° | 120.0° |
| C20 | C22 | C23 | 119.5° | 120.0° |
| C20 | C22 | H24 | 120.2° | 120.0° |
| C23 | C21 | H23 | 119.9° | 120.0° |
| C21 | C23 | C22 | 119.9° | 120.0° |
| C21 | C23 | H25 | 120.1° | 120.0° |
| C23 | C22 | H24 | 120.3° | 120.0° |
| C22 | C23 | H25 | 120.0° | 120.0° |
| C24 | N4 | H26 | 118.3° | 121.5° |
| N4 | C24 | C25 | 109.8° | 108.8° |
| N4 | C24 | C26 | 110.4° | 109.6° |
| N4 | C24 | H27 | 109.2° | 109.6° |
| C24 | N4 | C16 | 123.5° | 116.9° |
| H26 | N4 | C16 | 118.2° | 121.6° |
| C25 | C24 | C26 | 111.1° | 109.5° |
| C25 | C24 | H27 | 108.2° | 109.6° |
| C24 | C25 | O4 | 122.3° | 120.5° |
| C24 | C25 | N5 | 115.4° | 119.1° |
| C26 | C24 | H27 | 108.1° | 109.7° |
| C24 | C26 | C27 | 113.2° | 109.5° |
| C24 | C26 | H28 | 108.5° | 109.5° |
| C24 | C26 | H29 | 108.5° | 109.5° |
| O4 | C25 | N5 | 122.3° | 120.4° |
| C27 | C26 | H28 | 108.6° | 109.5° |
| C27 | C26 | H29 | 108.6° | 109.4° |
| C26 | C27 | C28 | 121.5° | 120.0° |
| C26 | C27 | C29 | 119.8° | 120.0° |
| H28 | C26 | H29 | 109.4° | 109.4° |
| C28 | C27 | C29 | 118.7° | 120.0° |
| C27 | C28 | C30 | 120.9° | 120.0° |
| C27 | C28 | H30 | 119.5° | 120.0° |
| C27 | C29 | C31 | 119.8° | 120.0° |
| C27 | C29 | H31 | 120.1° | 120.0° |
| C30 | C28 | H30 | 119.5° | 120.0° |
| C28 | C30 | C32 | 120.2° | 120.0° |
| C28 | C30 | H32 | 119.9° | 120.0° |
| C31 | C29 | H31 | 120.1° | 120.0° |
| C29 | C31 | C32 | 121.0° | 120.0° |
| C29 | C31 | H33 | 119.5° | 119.9° |
| C32 | C30 | H32 | 119.9° | 120.0° |
| C30 | C32 | C31 | 119.3° | 120.0° |
| C30 | C32 | H34 | 120.4° | 120.0° |
| C32 | C31 | H33 | 119.5° | 120.0° |
| C31 | C32 | H34 | 120.3° | 120.1° |
| C33 | N5 | H35 | 118.5° | 122.1° |
| N5 | C33 | C34 | 106.9° | 108.7° |
| N5 | C33 | C35 | 112.1° | 109.6° |
| N5 | C33 | H36 | 108.1° | 109.6° |
| C33 | N5 | C25 | 123.0° | 115.8° |
| H35 | N5 | C25 | 118.5° | 122.1° |
| C34 | C33 | C35 | 115.1° | 109.6° |
| C34 | C33 | H36 | 107.2° | 109.6° |
| C33 | C34 | O5 | 120.2° | 120.4° |
| C33 | C34 | N7 | 116.9° | 119.3° |
| C35 | C33 | H36 | 107.2° | 109.7° |
| C33 | C35 | C36 | 112.6° | 109.5° |
| C33 | C35 | H37 | 108.7° | 109.5° |
| C33 | C35 | H38 | 108.7° | 109.5° |
| O5 | C34 | N7 | 122.8° | 120.3° |
| C36 | C35 | H37 | 108.7° | 109.5° |
| C36 | C35 | H38 | 108.7° | 109.4° |
| C35 | C36 | O6 | 120.5° | 120.0° |
| C35 | C36 | N6 | 117.9° | 120.0° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| O6 | C36 | N6 | 121.4° | 120.0° |
| C36 | N6 | H39 | 120.0° | 120.0° |
| C36 | N6 | H40 | 120.0° | 120.1° |
| H39 | N6 | H40 | 120.0° | 120.0° |
| C37 | N7 | H41 | 120.2° | 121.7° |
| N7 | C37 | C38 | 112.7° | 109.0° |
| N7 | C37 | C39 | 110.8° | 109.6° |
| N7 | C37 | H42 | 107.9° | 109.6° |
| C37 | N7 | C34 | 119.7° | 116.6° |
| H41 | N7 | C34 | 120.1° | 121.7° |
| C38 | C37 | C39 | 110.8° | 109.5° |
| C38 | C37 | H42 | 107.2° | 109.5° |
| C37 | C38 | O7 | 119.4° | 120.5° |
| C37 | C38 | N9 | 117.5° | 118.9° |
| C39 | C37 | H42 | 107.2° | 109.6° |
| C37 | C39 | C40 | 115.4° | 109.5° |
| C37 | C39 | H43 | 108.0° | 109.5° |
| C37 | C39 | H44 | 108.0° | 109.5° |
| O7 | C38 | N9 | 123.1° | 120.6° |
| C40 | C39 | H43 | 108.0° | 109.4° |
| C40 | C39 | H44 | 108.0° | 109.5° |
| C39 | C40 | C41 | 112.6° | 109.5° |
| C39 | C40 | H45 | 108.7° | 109.5° |
| C39 | C40 | H46 | 108.7° | 109.5° |
| H43 | C39 | H44 | 109.5° | 109.5° |
| C41 | C40 | H45 | 108.7° | 109.4° |
| C41 | C40 | H46 | 108.7° | 109.5° |
| C40 | C41 | O8 | 120.6° | 120.0° |
| C40 | C41 | N8 | 116.7° | 120.0° |
| H45 | C40 | H46 | 109.4° | 109.5° |
| O8 | C41 | N8 | 122.7° | 120.0° |
| C41 | N8 | H47 | 120.0° | 120.0° |
| C41 | N8 | H48 | 120.0° | 120.0° |
| H47 | N8 | H48 | 120.0° | 120.0° |
| C42 | N9 | H49 | 118.5° | 122.1° |
| N9 | C42 | C43 | 113.4° | 108.8° |
| N9 | C42 | C44 | 110.6° | 109.6° |
| N9 | C42 | H50 | 108.0° | 109.6° |
| C42 | N9 | C38 | 123.1° | 115.8° |
| H49 | N9 | C38 | 118.5° | 122.1° |
| C43 | C42 | C44 | 110.8° | 109.6° |
| C43 | C42 | H50 | 106.9° | 109.6° |
| C42 | C43 | O9 | 120.6° | 120.5° |
| C42 | C43 | N10 | 116.6° | 119.0° |
| C44 | C42 | H50 | 106.8° | 109.7° |
| C42 | C44 | C45 | 112.1° | 109.5° |
| C42 | C44 | H51 | 108.8° | 109.5° |
| C42 | C44 | H52 | 108.8° | 109.4° |
| O9 | C43 | N10 | 122.6° | 120.5° |
| C45 | C44 | H51 | 108.8° | 109.5° |
| C45 | C44 | H52 | 108.8° | 109.4° |
| C44 | C45 | C46 | 122.3° | 119.9° |
| C44 | C45 | C47 | 120.1° | 120.0° |
| H51 | C44 | H52 | 109.5° | 109.4° |
| C46 | C45 | C47 | 117.5° | 120.2° |
| C45 | C46 | C48 | 121.8° | 120.0° |
| C45 | C46 | H53 | 119.1° | 120.0° |
| C45 | C47 | C49 | 121.0° | 120.0° |
| C45 | C47 | H54 | 119.5° | 120.0° |
| C48 | C46 | H53 | 119.1° | 120.0° |
| C46 | C48 | C50 | 119.5° | 119.9° |
| C46 | C48 | H55 | 120.2° | 120.0° |
| C49 | C47 | H54 | 119.5° | 120.0° |
| C47 | C49 | C50 | 121.6° | 120.0° |
| C47 | C49 | H56 | 119.2° | 120.0° |
| C50 | C48 | H55 | 120.3° | 120.0° |
| C48 | C50 | C49 | 118.6° | 119.9° |
| C48 | C50 | O10 | 121.9° | 120.0° |
| C50 | C49 | H56 | 119.2° | 120.0° |
| C49 | C50 | O10 | 119.4° | 120.1° |
| C50 | O10 | H57 | 109.5° | 113.9° |
| C51 | N10 | H58 | 117.9° | 121.6° |
| N10 | C51 | C52 | 105.3° | 108.8° |
| N10 | C51 | C53 | 113.2° | 109.5° |
| N10 | C51 | H59 | 109.7° | 109.6° |
| C51 | N10 | C43 | 124.3° | 116.8° |
| H58 | N10 | C43 | 117.8° | 121.6° |
| C52 | C51 | C53 | 111.4° | 109.6° |
| C52 | C51 | H59 | 108.7° | 109.6° |
| C51 | C52 | O11 | 119.4° | 120.5° |
| C51 | C52 | N11 | 116.3° | 119.0° |
| C53 | C51 | H59 | 108.5° | 109.7° |
| C51 | C53 | C54 | 109.7° | 109.5° |
| C51 | C53 | C55 | 110.8° | 109.5° |
| C51 | C53 | H60 | 107.6° | 109.4° |
| O11 | C52 | N11 | 124.3° | 120.5° |
| C54 | C53 | C55 | 112.5° | 109.5° |
| C54 | C53 | H60 | 108.1° | 109.5° |
| C53 | C54 | H61 | 109.5° | 109.5° |
| C53 | C54 | H62 | 109.4° | 109.5° |
| C53 | C54 | H63 | 109.5° | 109.5° |
| C55 | C53 | H60 | 108.1° | 109.5° |
| C53 | C55 | H64 | 109.5° | 109.5° |
| C53 | C55 | H65 | 109.5° | 109.5° |
| C53 | C55 | H66 | 109.5° | 109.5° |
| H61 | C54 | H62 | 109.5° | 109.5° |
| H61 | C54 | H63 | 109.5° | 109.4° |
| H62 | C54 | H63 | 109.5° | 109.5° |
| H64 | C55 | H65 | 109.5° | 109.4° |
| H64 | C55 | H66 | 109.4° | 109.5° |
| H65 | C55 | H66 | 109.5° | 109.4° |
| C56 | N11 | H67 | 118.7° | 122.2° |
| N11 | C56 | C57 | 110.3° | 109.6° |
| N11 | C56 | C60 | 110.3° | 108.6° |
| N11 | C56 | H68 | 109.4° | 109.6° |
| C56 | N11 | C52 | 122.6° | 115.8° |
| H67 | N11 | C52 | 118.7° | 122.1° |
| C57 | C56 | C60 | 109.4° | 109.6° |
| C57 | C56 | H68 | 108.6° | 109.6° |
| C56 | C57 | C58 | 115.2° | 109.5° |
| C56 | C57 | H69 | 108.0° | 109.4° |
| C56 | C57 | H70 | 108.0° | 109.4° |
| C60 | C56 | H68 | 108.7° | 109.8° |
| C56 | C60 | O12 | 119.5° | 120.2° |
| C56 | C60 | N13 | 115.9° | 119.5° |
| C58 | C57 | H69 | 108.0° | 109.5° |
| C58 | C57 | H70 | 108.0° | 109.5° |
| C57 | C58 | C59 | 111.9° | 109.4° |
| C57 | C58 | H71 | 108.9° | 109.5° |
| C57 | C58 | H72 | 108.9° | 109.5° |
| H69 | C57 | H70 | 109.5° | 109.5° |
| C59 | C58 | H71 | 108.9° | 109.5° |
| C59 | C58 | H72 | 108.8° | 109.4° |
| C58 | C59 | N12 | 108.9° | 109.4° |
| C58 | C59 | H73 | 109.6° | 109.5° |
| C58 | C59 | H74 | 109.6° | 109.4° |
| H71 | C58 | H72 | 109.5° | 109.5° |
| N12 | C59 | H73 | 109.6° | 109.5° |
| N12 | C59 | H74 | 109.6° | 109.4° |
| C59 | N12 | H75 | 109.5° | 111.0° |
| C59 | N12 | H76 | 109.5° | 111.0° |
| H73 | C59 | H74 | 109.5° | 109.5° |
| H75 | N12 | H76 | 109.5° | 111.0° |
| O12 | C60 | N13 | 124.6° | 120.3° |
| C61 | N13 | H77 | 118.3° | 121.7° |
| N13 | C61 | C62 | 106.9° | 109.4° |
| N13 | C61 | C63 | 114.2° | 109.5° |
| N13 | C61 | H78 | 108.8° | 109.6° |
| C61 | N13 | C60 | 123.4° | 116.5° |
| H77 | N13 | C60 | 118.3° | 121.7° |
| C62 | C61 | C63 | 110.5° | 109.3° |
| C62 | C61 | H78 | 108.2° | 109.6° |
| C61 | C62 | O13 | 122.5° | 120.6° |
| C61 | C62 | N1 | 115.5° | 118.8° |
| C63 | C61 | H78 | 108.1° | 109.5° |
| C61 | C63 | C64 | 118.7° | 109.5° |
| C61 | C63 | H79 | 107.1° | 109.5° |
| C61 | C63 | H80 | 107.1° | 109.5° |
| O13 | C62 | N1 | 122.0° | 120.6° |
| C64 | C63 | H79 | 107.1° | 109.4° |
| C64 | C63 | H80 | 107.1° | 109.5° |
| C63 | C64 | C65 | 110.6° | 109.5° |
| C63 | C64 | C66 | 109.9° | 109.5° |
| C63 | C64 | H81 | 108.7° | 109.5° |
| H79 | C63 | H80 | 109.5° | 109.4° |
| C65 | C64 | C66 | 110.0° | 109.5° |
| C65 | C64 | H81 | 108.7° | 109.4° |
| C64 | C65 | H82 | 109.5° | 109.4° |
| C64 | C65 | H83 | 109.5° | 109.5° |
| C64 | C65 | H84 | 109.4° | 109.5° |
| C66 | C64 | H81 | 109.0° | 109.4° |
| C64 | C66 | H85 | 109.5° | 109.5° |
| C64 | C66 | H86 | 109.4° | 109.5° |
| C64 | C66 | H87 | 109.5° | 109.5° |
| H82 | C65 | H83 | 109.5° | 109.5° |
| H82 | C65 | H84 | 109.5° | 109.5° |
| H83 | C65 | H84 | 109.5° | 109.5° |
| H85 | C66 | H86 | 109.5° | 109.5° |
| H85 | C66 | H87 | 109.5° | 109.4° |
| H86 | C66 | H87 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C62 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 120.0° | 119.8° |
| N1 | C1 | C2 | H2 | 120.8° | 119.8° |
| N1 | C1 | C3 | H2 | 120.9° | 120.4° |
| N1 | C1 | C2 | O1 | 47.4° | 13.3° |
| N1 | C1 | C3 | C4 | 177.9° | 72.2° |
| N1 | C1 | C3 | H3 | 57.3° | 47.7° |
| N1 | C1 | C3 | H4 | 61.5° | 167.7° |
| C1 | N1 | C62 | C61 | 174.8° | 178.8° |
| C1 | N1 | C62 | O13 | 5.4° | 1.5° |
| N1 | C1 | C2 | N2 | 133.5° | 166.6° |
| H1 | N1 | C1 | C2 | 126.3° | 39.9° |
| H1 | N1 | C1 | C3 | 6.5° | 79.8° |
| H1 | N1 | C1 | H2 | 113.6° | 159.7° |
| H1 | N1 | C62 | C61 | 5.2° | 0.9° |
| H1 | N1 | C62 | O13 | 174.6° | 178.8° |
| C2 | C1 | C3 | H2 | 119.3° | 120.3° |
| C1 | C2 | O1 | N2 | 179.1° | 180.0° |
| C2 | C1 | C3 | C4 | 58.1° | 47.1° |
| C2 | C1 | C3 | H3 | 62.5° | 167.0° |
| C2 | C1 | C3 | H4 | 178.7° | 73.0° |
| C1 | C2 | N2 | C10 | 173.7° | 178.4° |
| C1 | C2 | N2 | C14 | 0.6° | 1.7° |
| C2 | C1 | N1 | C62 | 53.7° | 140.4° |
| C3 | C1 | C2 | O1 | 72.7° | 133.2° |
| C1 | C3 | C4 | H3 | 120.6° | 119.9° |
| C1 | C3 | C4 | H4 | 120.6° | 120.1° |
| C1 | C3 | H3 | H4 | 118.2° | 120.0° |
| C1 | C3 | C4 | C5 | 91.0° | 90.0° |
| C1 | C3 | C4 | C6 | 89.1° | 90.3° |
| C3 | C1 | N1 | C62 | 173.5° | 99.8° |
| C3 | C1 | C2 | N2 | 106.4° | 46.8° |
| H2 | C1 | C2 | O1 | 168.1° | 106.5° |
| H2 | C1 | C3 | C4 | 61.2° | 167.4° |
| H2 | C1 | C3 | H3 | 178.2° | 72.7° |
| H2 | C1 | C3 | H4 | 59.4° | 47.3° |
| H2 | C1 | N1 | C62 | 66.4° | 20.6° |
| H2 | C1 | C2 | N2 | 12.8° | 73.6° |
| O1 | C2 | N2 | C10 | 5.4° | 1.6° |
| O1 | C2 | N2 | C14 | 178.4° | 178.3° |
| C4 | C3 | H3 | H4 | 118.2° | 120.0° |
| C3 | C4 | C5 | C6 | 179.9° | 179.7° |
| C3 | C4 | C5 | C7 | 178.9° | 180.0° |
| C3 | C4 | C5 | H5 | 1.1° | 0.0° |
| C3 | C4 | C6 | C8 | 179.7° | 180.0° |
| C3 | C4 | C6 | H6 | 0.3° | 0.1° |
| H3 | C3 | C4 | C5 | 148.3° | 30.0° |
| H3 | C3 | C4 | C6 | 31.5° | 149.8° |
| H4 | C3 | C4 | C5 | 29.5° | 150.0° |
| H4 | C3 | C4 | C6 | 150.3° | 29.8° |
| C4 | C5 | C7 | H5 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 0.2° | 0.2° |
| C5 | C4 | C6 | H6 | 179.8° | 179.6° |
| C4 | C5 | C7 | C9 | 1.7° | 0.1° |
| C4 | C5 | C7 | H7 | 178.3° | 180.0° |
| C6 | C4 | C5 | C7 | 1.3° | 0.3° |
| C6 | C4 | C5 | H5 | 178.7° | 179.8° |
| C4 | C6 | C8 | H6 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 1.2° | 0.0° |
| C4 | C6 | C8 | H8 | 178.8° | 180.0° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.7° | 0.2° |
| C5 | C7 | C9 | H9 | 179.3° | 180.0° |
| H5 | C5 | C7 | C9 | 178.3° | 180.0° |
| H5 | C5 | C7 | H7 | 1.7° | 0.1° |
| C6 | C8 | C9 | C7 | 0.7° | 0.2° |
| C6 | C8 | C9 | H8 | 180.0° | 180.0° |
| C6 | C8 | C9 | H9 | 179.3° | 179.9° |
| H6 | C6 | C8 | C9 | 178.8° | 179.9° |
| H6 | C6 | C8 | H8 | 1.2° | 0.1° |
| C7 | C9 | C8 | H9 | 180.0° | 179.8° |
| C7 | C9 | C8 | H8 | 179.3° | 179.8° |
| H7 | C7 | C9 | C8 | 179.3° | 179.7° |
| H7 | C7 | C9 | H9 | 0.7° | 0.1° |
| H8 | C8 | C9 | H9 | 0.7° | 0.1° |
| C10 | N2 | C14 | C2 | 173.5° | 179.9° |
| N2 | C10 | C11 | C12 | 113.8° | 118.4° |
| N2 | C10 | C11 | H10 | 123.8° | 120.7° |
| N2 | C10 | C12 | H10 | 117.4° | 119.7° |
| N2 | C10 | C11 | O2 | 153.6° | 39.2° |
| N2 | C10 | C12 | C13 | 37.9° | 7.7° |
| N2 | C10 | C12 | H11 | 156.7° | 126.9° |
| N2 | C10 | C12 | H12 | 80.9° | 111.6° |
| C10 | N2 | C14 | C13 | 0.9° | 18.6° |
| C10 | N2 | C14 | H15 | 118.1° | 138.2° |
| C10 | N2 | C14 | H16 | 120.0° | 101.0° |
| N2 | C10 | C11 | N3 | 27.1° | 140.8° |
| C14 | N2 | C10 | C11 | 97.0° | 103.2° |
| C14 | N2 | C10 | C12 | 23.3° | 16.4° |
| C14 | N2 | C10 | H10 | 139.8° | 136.1° |
| N2 | C14 | C13 | C12 | 25.5° | 13.2° |
| N2 | C14 | C13 | H15 | 119.0° | 119.7° |
| N2 | C14 | C13 | H16 | 119.0° | 119.5° |
| N2 | C14 | C13 | H13 | 93.7° | 132.3° |
| N2 | C14 | C13 | H14 | 144.7° | 105.9° |
| N2 | C14 | H15 | H16 | 122.8° | 120.7° |
| C11 | C10 | C12 | H10 | 122.4° | 120.9° |
| C10 | C11 | O2 | N3 | 179.2° | 180.0° |
| C11 | C10 | C12 | C13 | 82.2° | 111.8° |
| C11 | C10 | C12 | H11 | 36.5° | 7.5° |
| C11 | C10 | C12 | H12 | 158.9° | 129.0° |
| C10 | C11 | N3 | C15 | 179.0° | 179.4° |
| C10 | C11 | N3 | H17 | 1.0° | 0.7° |
| C11 | C10 | N2 | C2 | 88.9° | 76.9° |
| C12 | C10 | C11 | O2 | 39.9° | 79.2° |
| C10 | C12 | C13 | H11 | 118.8° | 119.3° |
| C10 | C12 | C13 | H12 | 118.8° | 119.2° |
| C10 | C12 | H11 | H12 | 123.4° | 121.5° |
| C10 | C12 | C13 | C14 | 39.6° | 3.3° |
| C10 | C12 | C13 | H13 | 79.5° | 122.4° |
| C10 | C12 | C13 | H14 | 158.8° | 115.7° |
| C12 | C10 | N2 | C2 | 150.8° | 163.5° |
| C12 | C10 | C11 | N3 | 140.8° | 100.8° |
| H10 | C10 | C11 | O2 | 82.5° | 159.9° |
| H10 | C10 | C12 | C13 | 155.3° | 127.3° |
| H10 | C10 | C12 | H11 | 85.9° | 113.4° |
| H10 | C10 | C12 | H12 | 36.5° | 8.1° |
| H10 | C10 | N2 | C2 | 34.2° | 43.8° |
| H10 | C10 | C11 | N3 | 96.7° | 20.1° |
| O2 | C11 | N3 | C15 | 1.8° | 0.6° |
| O2 | C11 | N3 | H17 | 178.2° | 179.3° |
| C13 | C12 | H11 | H12 | 123.5° | 121.5° |
| C12 | C13 | C14 | H13 | 119.2° | 119.1° |
| C12 | C13 | C14 | H14 | 119.2° | 119.1° |
| C12 | C13 | H13 | H14 | 122.4° | 121.9° |
| C12 | C13 | C14 | H15 | 93.5° | 132.9° |
| C12 | C13 | C14 | H16 | 144.5° | 106.3° |
| H11 | C12 | C13 | C14 | 158.4° | 116.0° |
| H11 | C12 | C13 | H13 | 39.3° | 3.1° |
| H11 | C12 | C13 | H14 | 82.4° | 125.0° |
| H12 | C12 | C13 | C14 | 79.2° | 122.6° |
| H12 | C12 | C13 | H13 | 161.7° | 118.4° |
| H12 | C12 | C13 | H14 | 40.0° | 3.5° |
| C14 | C13 | H13 | H14 | 122.3° | 121.8° |
| C13 | C14 | H15 | H16 | 122.8° | 120.8° |
| C13 | C14 | N2 | C2 | 174.5° | 161.3° |
| H13 | C13 | C14 | H15 | 147.3° | 108.0° |
| H13 | C13 | C14 | H16 | 25.4° | 12.8° |
| H14 | C13 | C14 | H15 | 25.7° | 13.8° |
| H14 | C13 | C14 | H16 | 96.3° | 134.6° |
| H15 | C14 | N2 | C2 | 55.5° | 41.6° |
| H16 | C14 | N2 | C2 | 66.5° | 79.1° |
| C15 | N3 | H17 | C11 | 180.0° | 179.9° |
| N3 | C15 | C16 | C17 | 121.4° | 119.8° |
| N3 | C15 | C16 | H18 | 120.1° | 119.9° |
| N3 | C15 | C17 | H18 | 120.1° | 120.2° |
| N3 | C15 | C16 | O3 | 22.0° | 8.3° |
| N3 | C15 | C17 | C18 | 55.6° | 62.1° |
| N3 | C15 | C17 | H19 | 64.8° | 178.0° |
| N3 | C15 | C17 | H20 | 175.9° | 58.0° |
| N3 | C15 | C16 | N4 | 155.9° | 171.8° |
| H17 | N3 | C15 | C16 | 49.9° | 30.8° |
| H17 | N3 | C15 | C17 | 71.5° | 150.6° |
| H17 | N3 | C15 | H18 | 169.2° | 89.1° |
| C16 | C15 | C17 | H18 | 118.5° | 120.3° |
| C15 | C16 | O3 | N4 | 177.7° | 179.9° |
| C16 | C15 | C17 | C18 | 177.0° | 57.4° |
| C16 | C15 | C17 | H19 | 56.7° | 62.6° |
| C16 | C15 | C17 | H20 | 62.6° | 177.5° |
| C15 | C16 | N4 | C24 | 179.1° | 179.9° |
| C15 | C16 | N4 | H26 | 0.9° | 0.0° |
| C16 | C15 | N3 | C11 | 130.1° | 149.1° |
| C17 | C15 | C16 | O3 | 99.5° | 128.1° |
| C15 | C17 | C18 | H19 | 120.4° | 120.0° |
| C15 | C17 | C18 | H20 | 120.4° | 120.0° |
| C15 | C17 | H19 | H20 | 118.9° | 120.0° |
| C15 | C17 | C18 | C19 | 66.6° | 87.4° |
| C15 | C17 | C18 | C20 | 112.6° | 92.9° |
| C17 | C15 | N3 | C11 | 108.5° | 29.3° |
| C17 | C15 | C16 | N4 | 82.7° | 52.0° |
| H18 | C15 | C16 | O3 | 142.1° | 111.6° |
| H18 | C15 | C17 | C18 | 64.5° | 177.7° |
| H18 | C15 | C17 | H19 | 175.1° | 57.7° |
| H18 | C15 | C17 | H20 | 55.8° | 62.2° |
| H18 | C15 | N3 | C11 | 10.8° | 91.0° |
| H18 | C15 | C16 | N4 | 35.8° | 68.3° |
| O3 | C16 | N4 | C24 | 3.1° | 0.0° |
| O3 | C16 | N4 | H26 | 176.9° | 180.0° |
| C18 | C17 | H19 | H20 | 118.9° | 120.0° |
| C17 | C18 | C19 | C20 | 179.2° | 179.7° |
| C17 | C18 | C19 | C21 | 178.7° | 180.0° |
| C17 | C18 | C19 | H21 | 1.3° | 0.0° |
| C17 | C18 | C20 | C22 | 179.4° | 180.0° |
| C17 | C18 | C20 | H22 | 0.6° | 0.0° |
| H19 | C17 | C18 | C19 | 173.0° | 32.6° |
| H19 | C17 | C18 | C20 | 7.8° | 147.1° |
| H20 | C17 | C18 | C19 | 53.7° | 152.6° |
| H20 | C17 | C18 | C20 | 127.1° | 27.1° |
| C18 | C19 | C21 | H21 | 180.0° | 179.9° |
| C19 | C18 | C20 | C22 | 0.2° | 0.3° |
| C19 | C18 | C20 | H22 | 179.8° | 179.7° |
| C18 | C19 | C21 | C23 | 2.1° | 0.1° |
| C18 | C19 | C21 | H23 | 177.9° | 180.0° |
| C20 | C18 | C19 | C21 | 2.1° | 0.3° |
| C20 | C18 | C19 | H21 | 177.9° | 179.8° |
| C18 | C20 | C22 | H22 | 180.0° | 180.0° |
| C18 | C20 | C22 | C23 | 1.7° | 0.0° |
| C18 | C20 | C22 | H24 | 178.3° | 180.0° |
| C19 | C21 | C23 | H23 | 180.0° | 180.0° |
| C19 | C21 | C23 | C22 | 0.2° | 0.2° |
| C19 | C21 | C23 | H25 | 179.8° | 180.0° |
| H21 | C19 | C21 | C23 | 177.9° | 180.0° |
| H21 | C19 | C21 | H23 | 2.1° | 0.0° |
| C20 | C22 | C23 | C21 | 1.7° | 0.3° |
| C20 | C22 | C23 | H24 | 180.0° | 180.0° |
| C20 | C22 | C23 | H25 | 178.3° | 180.0° |
| H22 | C20 | C22 | C23 | 178.3° | 180.0° |
| H22 | C20 | C22 | H24 | 1.7° | 0.0° |
| C21 | C23 | C22 | H25 | 180.0° | 179.7° |
| C21 | C23 | C22 | H24 | 178.3° | 179.7° |
| H23 | C21 | C23 | C22 | 179.8° | 179.8° |
| H23 | C21 | C23 | H25 | 0.2° | 0.0° |
| H24 | C22 | C23 | H25 | 1.7° | 0.0° |
| C24 | N4 | H26 | C16 | 180.0° | 179.9° |
| N4 | C24 | C25 | C26 | 122.4° | 119.8° |
| N4 | C24 | C25 | H27 | 119.1° | 119.8° |
| N4 | C24 | C26 | H27 | 119.4° | 120.4° |
| N4 | C24 | C25 | O4 | 39.7° | 13.7° |
| N4 | C24 | C26 | C27 | 64.7° | 176.4° |
| N4 | C24 | C26 | H28 | 174.8° | 56.3° |
| N4 | C24 | C26 | H29 | 55.9° | 63.7° |
| N4 | C24 | C25 | N5 | 141.2° | 166.3° |
| H26 | N4 | C24 | C25 | 75.0° | 32.7° |
| H26 | N4 | C24 | C26 | 47.7° | 152.5° |
| H26 | N4 | C24 | H27 | 166.5° | 87.1° |
| C25 | C24 | C26 | H27 | 118.6° | 120.3° |
| C24 | C25 | O4 | N5 | 179.1° | 179.9° |
| C25 | C24 | C26 | C27 | 173.3° | 57.0° |
| C25 | C24 | C26 | H28 | 52.8° | 63.0° |
| C25 | C24 | C26 | H29 | 66.1° | 177.0° |
| C24 | C25 | N5 | C33 | 179.3° | 179.2° |
| C24 | C25 | N5 | H35 | 0.7° | 0.8° |
| C25 | C24 | N4 | C16 | 104.9° | 147.3° |
| C26 | C24 | C25 | O4 | 82.6° | 133.5° |
| C24 | C26 | C27 | H28 | 120.6° | 120.1° |
| C24 | C26 | C27 | H29 | 120.6° | 120.0° |
| C24 | C26 | H28 | H29 | 118.3° | 120.0° |
| C24 | C26 | C27 | C28 | 104.1° | 110.3° |
| C24 | C26 | C27 | C29 | 75.4° | 69.9° |
| C26 | C24 | N4 | C16 | 132.3° | 27.6° |
| C26 | C24 | C25 | N5 | 96.5° | 46.5° |
| H27 | C24 | C25 | O4 | 158.9° | 106.2° |
| H27 | C24 | C26 | C27 | 54.8° | 63.3° |
| H27 | C24 | C26 | H28 | 65.8° | 176.7° |
| H27 | C24 | C26 | H29 | 175.3° | 56.7° |
| H27 | C24 | N4 | C16 | 13.6° | 92.9° |
| H27 | C24 | C25 | N5 | 22.0° | 73.9° |
| O4 | C25 | N5 | C33 | 1.6° | 0.7° |
| O4 | C25 | N5 | H35 | 178.4° | 179.3° |
| C27 | C26 | H28 | H29 | 118.3° | 119.9° |
| C26 | C27 | C28 | C29 | 179.5° | 179.8° |
| C26 | C27 | C28 | C30 | 180.0° | 179.9° |
| C26 | C27 | C28 | H30 | 0.0° | 0.1° |
| C26 | C27 | C29 | C31 | 178.5° | 179.9° |
| C26 | C27 | C29 | H31 | 1.5° | 0.1° |
| H28 | C26 | C27 | C28 | 135.4° | 9.8° |
| H28 | C26 | C27 | C29 | 45.2° | 170.0° |
| H29 | C26 | C27 | C28 | 16.5° | 129.7° |
| H29 | C26 | C27 | C29 | 164.0° | 50.1° |
| C27 | C28 | C30 | H30 | 180.0° | 180.0° |
| C28 | C27 | C29 | C31 | 1.0° | 0.2° |
| C28 | C27 | C29 | H31 | 179.0° | 179.7° |
| C27 | C28 | C30 | C32 | 2.4° | 0.0° |
| C27 | C28 | C30 | H32 | 177.6° | 180.0° |
| C29 | C27 | C28 | C30 | 0.5° | 0.3° |
| C29 | C27 | C28 | H30 | 179.5° | 179.7° |
| C27 | C29 | C31 | H31 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 0.6° | 0.0° |
| C27 | C29 | C31 | H33 | 179.4° | 180.0° |
| C28 | C30 | C32 | H32 | 180.0° | 180.0° |
| C28 | C30 | C32 | C31 | 2.7° | 0.2° |
| C28 | C30 | C32 | H34 | 177.3° | 180.0° |
| H30 | C28 | C30 | C32 | 177.6° | 180.0° |
| H30 | C28 | C30 | H32 | 2.4° | 0.0° |
| C29 | C31 | C32 | C30 | 1.3° | 0.3° |
| C29 | C31 | C32 | H33 | 180.0° | 180.0° |
| C29 | C31 | C32 | H34 | 178.7° | 180.0° |
| H31 | C29 | C31 | C32 | 179.4° | 180.0° |
| H31 | C29 | C31 | H33 | 0.6° | 0.0° |
| C30 | C32 | C31 | H34 | 180.0° | 179.7° |
| C30 | C32 | C31 | H33 | 178.7° | 179.7° |
| H32 | C30 | C32 | C31 | 177.3° | 179.7° |
| H32 | C30 | C32 | H34 | 2.7° | 0.0° |
| H33 | C31 | C32 | H34 | 1.3° | 0.0° |
| C33 | N5 | H35 | C25 | 180.0° | 180.0° |
| N5 | C33 | C34 | C35 | 125.2° | 119.7° |
| N5 | C33 | C34 | H36 | 115.7° | 119.8° |
| N5 | C33 | C35 | H36 | 118.4° | 120.4° |
| N5 | C33 | C34 | O5 | 13.3° | 36.7° |
| N5 | C33 | C35 | C36 | 55.8° | 58.8° |
| N5 | C33 | C35 | H37 | 176.2° | 178.8° |
| N5 | C33 | C35 | H38 | 64.7° | 61.2° |
| N5 | C33 | C34 | N7 | 169.5° | 143.3° |
| H35 | N5 | C33 | C34 | 33.0° | 46.9° |
| H35 | N5 | C33 | C35 | 94.0° | 166.6° |
| H35 | N5 | C33 | H36 | 148.1° | 72.9° |
| C34 | C33 | C35 | H36 | 119.0° | 120.4° |
| C33 | C34 | O5 | N7 | 177.1° | 180.0° |
| C34 | C33 | C35 | C36 | 66.7° | 60.4° |
| C34 | C33 | C35 | H37 | 53.7° | 59.6° |
| C34 | C33 | C35 | H38 | 172.8° | 179.6° |
| C33 | C34 | N7 | C37 | 177.3° | 179.9° |
| C33 | C34 | N7 | H41 | 2.7° | 0.1° |
| C34 | C33 | N5 | C25 | 147.0° | 133.1° |
| C35 | C33 | C34 | O5 | 138.5° | 156.4° |
| C33 | C35 | C36 | H37 | 120.5° | 120.0° |
| C33 | C35 | C36 | H38 | 120.5° | 120.0° |
| C33 | C35 | H37 | H38 | 118.6° | 120.0° |
| C33 | C35 | C36 | O6 | 45.1° | 5.1° |
| C33 | C35 | C36 | N6 | 129.1° | 174.9° |
| C35 | C33 | N5 | C25 | 86.0° | 13.4° |
| C35 | C33 | C34 | N7 | 44.2° | 23.6° |
| H36 | C33 | C34 | O5 | 102.5° | 83.1° |
| H36 | C33 | C35 | C36 | 174.2° | 179.2° |
| H36 | C33 | C35 | H37 | 65.3° | 60.8° |
| H36 | C33 | C35 | H38 | 53.7° | 59.2° |
| H36 | C33 | N5 | C25 | 31.9° | 107.1° |
| H36 | C33 | C34 | N7 | 74.8° | 96.9° |
| O5 | C34 | N7 | C37 | 0.1° | 0.1° |
| O5 | C34 | N7 | H41 | 179.9° | 179.9° |
| C36 | C35 | H37 | H38 | 118.6° | 120.0° |
| C35 | C36 | O6 | N6 | 174.1° | 180.0° |
| C35 | C36 | N6 | H39 | 174.3° | 0.0° |
| C35 | C36 | N6 | H40 | 5.8° | 180.0° |
| H37 | C35 | C36 | O6 | 75.3° | 114.9° |
| H37 | C35 | C36 | N6 | 110.4° | 65.1° |
| H38 | C35 | C36 | O6 | 165.6° | 125.1° |
| H38 | C35 | C36 | N6 | 8.7° | 54.9° |
| O6 | C36 | N6 | H39 | 0.0° | 180.0° |
| O6 | C36 | N6 | H40 | 180.0° | 0.0° |
| C36 | N6 | H39 | H40 | 180.0° | 180.0° |
| C37 | N7 | H41 | C34 | 180.0° | 180.0° |
| N7 | C37 | C38 | C39 | 124.8° | 119.9° |
| N7 | C37 | C38 | H42 | 118.6° | 119.9° |
| N7 | C37 | C39 | H42 | 117.5° | 120.2° |
| N7 | C37 | C38 | O7 | 170.6° | 27.7° |
| N7 | C37 | C39 | C40 | 66.8° | 65.0° |
| N7 | C37 | C39 | H43 | 172.3° | 55.0° |
| N7 | C37 | C39 | H44 | 54.1° | 175.0° |
| N7 | C37 | C38 | N9 | 11.3° | 152.3° |
| H41 | N7 | C37 | C38 | 106.8° | 32.8° |
| H41 | N7 | C37 | C39 | 18.0° | 87.0° |
| H41 | N7 | C37 | H42 | 135.1° | 152.7° |
| C38 | C37 | C39 | H42 | 116.7° | 120.2° |
| C37 | C38 | O7 | N9 | 177.9° | 180.0° |
| C38 | C37 | C39 | C40 | 59.0° | 175.5° |
| C38 | C37 | C39 | H43 | 61.8° | 64.6° |
| C38 | C37 | C39 | H44 | 179.9° | 55.5° |
| C37 | C38 | N9 | C42 | 177.1° | 179.4° |
| C37 | C38 | N9 | H49 | 2.8° | 0.7° |
| C38 | C37 | N7 | C34 | 73.2° | 147.2° |
| C39 | C37 | C38 | O7 | 64.6° | 92.1° |
| C37 | C39 | C40 | H43 | 120.8° | 120.0° |
| C37 | C39 | C40 | H44 | 120.9° | 120.0° |
| C37 | C39 | H43 | H44 | 117.3° | 120.0° |
| C37 | C39 | C40 | C41 | 93.5° | 180.0° |
| C37 | C39 | C40 | H45 | 26.9° | 60.1° |
| C37 | C39 | C40 | H46 | 146.0° | 60.0° |
| C39 | C37 | N7 | C34 | 162.0° | 92.9° |
| C39 | C37 | C38 | N9 | 113.5° | 87.8° |
| H42 | C37 | C38 | O7 | 52.1° | 147.6° |
| H42 | C37 | C39 | C40 | 175.7° | 55.3° |
| H42 | C37 | C39 | H43 | 54.8° | 175.2° |
| H42 | C37 | C39 | H44 | 63.4° | 64.7° |
| H42 | C37 | N7 | C34 | 45.0° | 27.4° |
| H42 | C37 | C38 | N9 | 129.9° | 32.4° |
| O7 | C38 | N9 | C42 | 0.9° | 0.5° |
| O7 | C38 | N9 | H49 | 179.2° | 179.3° |
| C40 | C39 | H43 | H44 | 117.3° | 120.0° |
| C39 | C40 | C41 | H45 | 120.5° | 120.0° |
| C39 | C40 | C41 | H46 | 120.5° | 120.0° |
| C39 | C40 | H45 | H46 | 118.6° | 120.1° |
| C39 | C40 | C41 | O8 | 50.7° | 0.0° |
| C39 | C40 | C41 | N8 | 129.4° | 180.0° |
| H43 | C39 | C40 | C41 | 145.6° | 60.0° |
| H43 | C39 | C40 | H45 | 93.9° | 180.0° |
| H43 | C39 | C40 | H46 | 25.1° | 60.0° |
| H44 | C39 | C40 | C41 | 27.3° | 60.0° |
| H44 | C39 | C40 | H45 | 147.8° | 59.9° |
| H44 | C39 | C40 | H46 | 93.2° | 180.0° |
| C41 | C40 | H45 | H46 | 118.6° | 120.0° |
| C40 | C41 | O8 | N8 | 179.8° | 180.0° |
| C40 | C41 | N8 | H47 | 179.8° | 0.0° |
| C40 | C41 | N8 | H48 | 0.1° | 180.0° |
| H45 | C40 | C41 | O8 | 69.7° | 120.0° |
| H45 | C40 | C41 | N8 | 110.1° | 60.0° |
| H46 | C40 | C41 | O8 | 171.2° | 120.0° |
| H46 | C40 | C41 | N8 | 8.9° | 60.0° |
| O8 | C41 | N8 | H47 | 0.0° | 180.0° |
| O8 | C41 | N8 | H48 | 180.0° | 0.0° |
| C41 | N8 | H47 | H48 | 180.0° | 180.0° |
| C42 | N9 | H49 | C38 | 180.0° | 179.9° |
| N9 | C42 | C43 | C44 | 125.1° | 119.8° |
| N9 | C42 | C43 | H50 | 118.9° | 119.8° |
| N9 | C42 | C44 | H50 | 117.3° | 120.3° |
| N9 | C42 | C43 | O9 | 144.9° | 26.0° |
| N9 | C42 | C44 | C45 | 52.4° | 177.8° |
| N9 | C42 | C44 | H51 | 68.0° | 57.7° |
| N9 | C42 | C44 | H52 | 172.8° | 62.2° |
| N9 | C42 | C43 | N10 | 39.6° | 154.0° |
| H49 | N9 | C42 | C43 | 80.4° | 40.2° |
| H49 | N9 | C42 | C44 | 44.8° | 160.0° |
| H49 | N9 | C42 | H50 | 161.3° | 79.6° |
| C43 | C42 | C44 | H50 | 116.1° | 120.3° |
| C42 | C43 | O9 | N10 | 175.2° | 180.0° |
| C43 | C42 | C44 | C45 | 179.0° | 62.8° |
| C43 | C42 | C44 | H51 | 58.6° | 177.1° |
| C43 | C42 | C44 | H52 | 60.6° | 57.2° |
| C42 | C43 | N10 | C51 | 176.9° | 179.9° |
| C42 | C43 | N10 | H58 | 3.1° | 0.0° |
| C43 | C42 | N9 | C38 | 99.6° | 139.7° |
| C44 | C42 | C43 | O9 | 90.0° | 145.8° |
| C42 | C44 | C45 | H51 | 120.4° | 120.1° |
| C42 | C44 | C45 | H52 | 120.4° | 120.0° |
| C42 | C44 | H51 | H52 | 118.8° | 119.9° |
| C42 | C44 | C45 | C46 | 67.4° | 65.0° |
| C42 | C44 | C45 | C47 | 112.7° | 115.3° |
| C44 | C42 | N9 | C38 | 135.2° | 19.9° |
| C44 | C42 | C43 | N10 | 85.5° | 34.2° |
| H50 | C42 | C43 | O9 | 26.0° | 93.8° |
| H50 | C42 | C44 | C45 | 64.9° | 57.5° |
| H50 | C42 | C44 | H51 | 174.7° | 62.6° |
| H50 | C42 | C44 | H52 | 55.5° | 177.5° |
| H50 | C42 | N9 | C38 | 18.6° | 100.5° |
| H50 | C42 | C43 | N10 | 158.5° | 86.2° |
| O9 | C43 | N10 | C51 | 7.7° | 0.1° |
| O9 | C43 | N10 | H58 | 172.3° | 180.0° |
| C45 | C44 | H51 | H52 | 118.8° | 120.0° |
| C44 | C45 | C46 | C47 | 179.9° | 179.7° |
| C44 | C45 | C46 | C48 | 178.5° | 180.0° |
| C44 | C45 | C46 | H53 | 1.5° | 0.0° |
| C44 | C45 | C47 | C49 | 179.1° | 180.0° |
| C44 | C45 | C47 | H54 | 0.9° | 0.0° |
| H51 | C44 | C45 | C46 | 172.2° | 55.1° |
| H51 | C44 | C45 | C47 | 7.7° | 124.6° |
| H52 | C44 | C45 | C46 | 53.0° | 175.0° |
| H52 | C44 | C45 | C47 | 126.9° | 4.7° |
| C45 | C46 | C48 | H53 | 180.0° | 180.0° |
| C46 | C45 | C47 | C49 | 1.0° | 0.3° |
| C46 | C45 | C47 | H54 | 179.1° | 179.7° |
| C45 | C46 | C48 | C50 | 1.8° | 0.0° |
| C45 | C46 | C48 | H55 | 178.2° | 179.9° |
| C47 | C45 | C46 | C48 | 1.5° | 0.3° |
| C47 | C45 | C46 | H53 | 178.5° | 179.8° |
| C45 | C47 | C49 | H54 | 180.0° | 180.0° |
| C45 | C47 | C49 | C50 | 0.7° | 0.0° |
| C45 | C47 | C49 | H56 | 179.4° | 180.0° |
| C46 | C48 | C50 | H55 | 180.0° | 179.9° |
| C46 | C48 | C50 | C49 | 1.4° | 0.3° |
| C46 | C48 | C50 | O10 | 179.8° | 179.9° |
| H53 | C46 | C48 | C50 | 178.2° | 180.0° |
| H53 | C46 | C48 | H55 | 1.8° | 0.0° |
| C47 | C49 | C50 | C48 | 0.9° | 0.3° |
| C47 | C49 | C50 | H56 | 180.0° | 180.0° |
| C47 | C49 | C50 | O10 | 179.3° | 179.9° |
| H54 | C47 | C49 | C50 | 179.3° | 180.0° |
| H54 | C47 | C49 | H56 | 0.6° | 0.0° |
| C48 | C50 | C49 | O10 | 178.4° | 179.8° |
| C48 | C50 | C49 | H56 | 179.1° | 179.7° |
| C48 | C50 | O10 | H57 | 180.0° | 90.0° |
| H55 | C48 | C50 | C49 | 178.5° | 179.8° |
| H55 | C48 | C50 | O10 | 0.2° | 0.0° |
| C49 | C50 | O10 | H57 | 1.7° | 89.7° |
| H56 | C49 | C50 | O10 | 0.8° | 0.1° |
| C51 | N10 | H58 | C43 | 180.0° | 179.9° |
| N10 | C51 | C52 | C53 | 123.1° | 119.7° |
| N10 | C51 | C52 | H59 | 117.5° | 119.8° |
| N10 | C51 | C53 | H59 | 122.0° | 120.3° |
| N10 | C51 | C52 | O11 | 68.6° | 22.5° |
| N10 | C51 | C53 | C54 | 179.5° | 60.0° |
| N10 | C51 | C53 | C55 | 55.8° | 60.0° |
| N10 | C51 | C53 | H60 | 62.1° | 180.0° |
| N10 | C51 | C52 | N11 | 108.2° | 157.4° |
| H58 | N10 | C51 | C52 | 48.9° | 40.4° |
| H58 | N10 | C51 | C53 | 73.0° | 79.4° |
| H58 | N10 | C51 | H59 | 165.7° | 160.3° |
| C52 | C51 | C53 | H59 | 119.6° | 120.4° |
| C51 | C52 | O11 | N11 | 176.5° | 179.9° |
| C52 | C51 | C53 | C54 | 61.1° | 179.3° |
| C52 | C51 | C53 | C55 | 174.2° | 59.2° |
| C52 | C51 | C53 | H60 | 56.3° | 60.7° |
| C51 | C52 | N11 | C56 | 171.8° | 179.2° |
| C51 | C52 | N11 | H67 | 8.2° | 0.8° |
| C52 | C51 | N10 | C43 | 131.1° | 139.5° |
| C53 | C51 | C52 | O11 | 54.5° | 97.2° |
| C51 | C53 | C54 | C55 | 123.7° | 120.0° |
| C51 | C53 | C54 | H60 | 117.0° | 120.0° |
| C51 | C53 | C55 | H60 | 117.6° | 119.9° |
| C51 | C53 | C54 | H61 | 180.0° | 60.0° |
| C51 | C53 | C54 | H62 | 60.0° | 180.0° |
| C51 | C53 | C54 | H63 | 60.0° | 59.9° |
| C51 | C53 | C55 | H64 | 180.0° | 60.0° |
| C51 | C53 | C55 | H65 | 60.0° | 180.0° |
| C51 | C53 | C55 | H66 | 60.0° | 60.1° |
| C53 | C51 | N10 | C43 | 107.0° | 100.7° |
| C53 | C51 | C52 | N11 | 128.7° | 82.9° |
| H59 | C51 | C52 | O11 | 173.9° | 142.4° |
| H59 | C51 | C53 | C54 | 58.5° | 60.3° |
| H59 | C51 | C53 | C55 | 66.2° | 179.6° |
| H59 | C51 | C53 | H60 | 175.9° | 59.7° |
| H59 | C51 | N10 | C43 | 14.3° | 19.7° |
| H59 | C51 | C52 | N11 | 9.3° | 37.5° |
| O11 | C52 | N11 | C56 | 4.8° | 0.6° |
| O11 | C52 | N11 | H67 | 175.2° | 179.3° |
| C54 | C53 | C55 | H60 | 119.3° | 120.0° |
| C53 | C54 | H61 | H62 | 120.0° | 120.0° |
| C53 | C54 | H61 | H63 | 120.0° | 120.0° |
| C53 | C54 | H62 | H63 | 120.0° | 120.0° |
| C54 | C53 | C55 | H64 | 56.9° | 180.0° |
| C54 | C53 | C55 | H65 | 63.1° | 60.0° |
| C54 | C53 | C55 | H66 | 176.9° | 60.0° |
| C55 | C53 | C54 | H61 | 56.3° | 60.0° |
| C55 | C53 | C54 | H62 | 176.3° | 60.0° |
| C55 | C53 | C54 | H63 | 63.7° | 179.9° |
| C53 | C55 | H64 | H65 | 120.0° | 120.0° |
| C53 | C55 | H64 | H66 | 120.0° | 120.1° |
| C53 | C55 | H65 | H66 | 120.0° | 120.0° |
| H60 | C53 | C54 | H61 | 63.0° | 180.0° |
| H60 | C53 | C54 | H62 | 57.0° | 60.0° |
| H60 | C53 | C54 | H63 | 177.0° | 60.1° |
| H60 | C53 | C55 | H64 | 62.4° | 60.0° |
| H60 | C53 | C55 | H65 | 177.6° | 60.0° |
| H60 | C53 | C55 | H66 | 57.6° | 180.0° |
| H61 | C54 | H62 | H63 | 120.0° | 120.0° |
| H64 | C55 | H65 | H66 | 120.0° | 120.0° |
| C56 | N11 | H67 | C52 | 180.0° | 180.0° |
| N11 | C56 | C57 | C60 | 121.6° | 119.1° |
| N11 | C56 | C57 | H68 | 119.9° | 120.4° |
| N11 | C56 | C60 | H68 | 120.0° | 119.9° |
| N11 | C56 | C57 | C58 | 170.0° | 53.9° |
| N11 | C56 | C57 | H69 | 49.2° | 173.9° |
| N11 | C56 | C57 | H70 | 69.1° | 66.1° |
| N11 | C56 | C60 | O12 | 47.1° | 34.7° |
| N11 | C56 | C60 | N13 | 135.2° | 145.3° |
| H67 | N11 | C56 | C57 | 68.0° | 158.1° |
| H67 | N11 | C56 | C60 | 53.0° | 38.4° |
| H67 | N11 | C56 | H68 | 172.6° | 81.6° |
| C57 | C56 | C60 | H68 | 118.5° | 120.4° |
| C56 | C57 | C58 | H69 | 120.8° | 120.0° |
| C56 | C57 | C58 | H70 | 120.9° | 120.0° |
| C56 | C57 | H69 | H70 | 117.4° | 119.9° |
| C56 | C57 | C58 | C59 | 76.6° | 174.9° |
| C56 | C57 | C58 | H71 | 163.1° | 54.8° |
| C56 | C57 | C58 | H72 | 43.8° | 65.2° |
| C57 | C56 | C60 | O12 | 74.5° | 154.4° |
| C57 | C56 | N11 | C52 | 112.0° | 21.9° |
| C57 | C56 | C60 | N13 | 103.2° | 25.7° |
| C60 | C56 | C57 | C58 | 68.4° | 65.2° |
| C60 | C56 | C57 | H69 | 170.7° | 54.9° |
| C60 | C56 | C57 | H70 | 52.4° | 174.8° |
| C56 | C60 | O12 | N13 | 177.5° | 179.9° |
| C56 | C60 | N13 | C61 | 172.9° | 179.7° |
| C56 | C60 | N13 | H77 | 7.1° | 0.3° |
| C60 | C56 | N11 | C52 | 127.0° | 141.6° |
| H68 | C56 | C57 | C58 | 50.1° | 174.3° |
| H68 | C56 | C57 | H69 | 70.7° | 65.7° |
| H68 | C56 | C57 | H70 | 171.0° | 54.3° |
| H68 | C56 | C60 | O12 | 167.1° | 85.1° |
| H68 | C56 | N11 | C52 | 7.4° | 98.4° |
| H68 | C56 | C60 | N13 | 15.2° | 94.8° |
| C58 | C57 | H69 | H70 | 117.4° | 120.1° |
| C57 | C58 | C59 | H71 | 120.4° | 120.1° |
| C57 | C58 | C59 | H72 | 120.3° | 119.9° |
| C57 | C58 | H71 | H72 | 118.9° | 120.0° |
| C57 | C58 | C59 | N12 | 179.2° | 180.0° |
| C57 | C58 | C59 | H73 | 60.9° | 60.0° |
| C57 | C58 | C59 | H74 | 59.3° | 60.1° |
| H69 | C57 | C58 | C59 | 44.3° | 65.2° |
| H69 | C57 | C58 | H71 | 76.1° | 174.8° |
| H69 | C57 | C58 | H72 | 164.6° | 54.7° |
| H70 | C57 | C58 | C59 | 162.6° | 54.9° |
| H70 | C57 | C58 | H71 | 42.2° | 65.2° |
| H70 | C57 | C58 | H72 | 77.1° | 174.8° |
| C59 | C58 | H71 | H72 | 118.9° | 119.9° |
| C58 | C59 | N12 | H73 | 119.9° | 120.1° |
| C58 | C59 | N12 | H74 | 119.9° | 119.9° |
| C58 | C59 | H73 | H74 | 120.3° | 120.0° |
| C58 | C59 | N12 | H75 | 180.0° | 56.1° |
| C58 | C59 | N12 | H76 | 60.0° | 180.0° |
| H71 | C58 | C59 | N12 | 58.8° | 59.9° |
| H71 | C58 | C59 | H73 | 178.8° | 179.9° |
| H71 | C58 | C59 | H74 | 61.0° | 60.0° |
| H72 | C58 | C59 | N12 | 60.5° | 60.1° |
| H72 | C58 | C59 | H73 | 59.5° | 60.0° |
| H72 | C58 | C59 | H74 | 179.7° | 180.0° |
| N12 | C59 | H73 | H74 | 120.3° | 120.0° |
| C59 | N12 | H75 | H76 | 120.1° | 123.9° |
| H73 | C59 | N12 | H75 | 60.1° | 64.0° |
| H73 | C59 | N12 | H76 | 179.9° | 60.0° |
| H74 | C59 | N12 | H75 | 60.1° | 176.0° |
| H74 | C59 | N12 | H76 | 59.9° | 60.1° |
| O12 | C60 | N13 | C61 | 4.7° | 0.4° |
| O12 | C60 | N13 | H77 | 175.3° | 179.7° |
| C61 | N13 | H77 | C60 | 180.0° | 180.0° |
| N13 | C61 | C62 | C63 | 124.8° | 119.9° |
| N13 | C61 | C62 | H78 | 117.0° | 120.1° |
| N13 | C61 | C63 | H78 | 121.2° | 120.2° |
| N13 | C61 | C62 | O13 | 77.9° | 33.5° |
| N13 | C61 | C63 | C64 | 66.2° | 67.8° |
| N13 | C61 | C63 | H79 | 55.1° | 52.1° |
| N13 | C61 | C63 | H80 | 172.5° | 172.1° |
| N13 | C61 | C62 | N1 | 102.3° | 146.2° |
| H77 | N13 | C61 | C62 | 43.5° | 19.8° |
| H77 | N13 | C61 | C63 | 79.0° | 99.9° |
| H77 | N13 | C61 | H78 | 160.2° | 140.0° |
| C62 | C61 | C63 | H78 | 118.3° | 120.0° |
| C61 | C62 | O13 | N1 | 179.8° | 179.7° |
| C62 | C61 | C63 | C64 | 173.3° | 172.4° |
| C62 | C61 | C63 | H79 | 65.4° | 67.6° |
| C62 | C61 | C63 | H80 | 52.0° | 52.3° |
| C62 | C61 | N13 | C60 | 136.5° | 160.1° |
| C63 | C61 | C62 | O13 | 46.8° | 86.4° |
| C61 | C63 | C64 | H79 | 121.3° | 120.0° |
| C61 | C63 | C64 | H80 | 121.3° | 120.1° |
| C61 | C63 | H79 | H80 | 115.8° | 120.0° |
| C61 | C63 | C64 | C65 | 170.1° | 176.2° |
| C61 | C63 | C64 | C66 | 68.2° | 63.8° |
| C61 | C63 | C64 | H81 | 51.0° | 56.2° |
| C63 | C61 | C62 | N1 | 133.0° | 93.9° |
| C63 | C61 | N13 | C60 | 101.0° | 80.2° |
| H78 | C61 | C62 | O13 | 165.0° | 153.6° |
| H78 | C61 | C63 | C64 | 55.0° | 52.4° |
| H78 | C61 | C63 | H79 | 176.4° | 172.3° |
| H78 | C61 | C63 | H80 | 66.3° | 67.7° |
| H78 | C61 | C62 | N1 | 14.7° | 26.1° |
| H78 | C61 | N13 | C60 | 19.9° | 40.0° |
| C64 | C63 | H79 | H80 | 115.8° | 120.0° |
| C63 | C64 | C65 | C66 | 121.5° | 120.0° |
| C63 | C64 | C65 | H81 | 119.2° | 120.1° |
| C63 | C64 | C66 | H81 | 119.0° | 120.0° |
| C63 | C64 | C65 | H82 | 180.0° | 60.0° |
| C63 | C64 | C65 | H83 | 60.0° | 180.0° |
| C63 | C64 | C65 | H84 | 60.0° | 60.0° |
| C63 | C64 | C66 | H85 | 180.0° | 180.0° |
| C63 | C64 | C66 | H86 | 60.0° | 60.0° |
| C63 | C64 | C66 | H87 | 60.0° | 60.0° |
| H79 | C63 | C64 | C65 | 48.8° | 56.2° |
| H79 | C63 | C64 | C66 | 170.4° | 176.2° |
| H79 | C63 | C64 | H81 | 70.4° | 63.8° |
| H80 | C63 | C64 | C65 | 68.5° | 63.7° |
| H80 | C63 | C64 | C66 | 53.1° | 56.3° |
| H80 | C63 | C64 | H81 | 172.3° | 176.3° |
| C65 | C64 | C66 | H81 | 119.1° | 119.9° |
| C64 | C65 | H82 | H83 | 120.0° | 120.0° |
| C64 | C65 | H82 | H84 | 120.0° | 120.0° |
| C64 | C65 | H83 | H84 | 120.0° | 120.0° |
| C65 | C64 | C66 | H85 | 58.1° | 59.9° |
| C65 | C64 | C66 | H86 | 62.0° | 60.0° |
| C65 | C64 | C66 | H87 | 178.1° | 179.9° |
| C66 | C64 | C65 | H82 | 58.5° | 60.0° |
| C66 | C64 | C65 | H83 | 178.5° | 60.0° |
| C66 | C64 | C65 | H84 | 61.5° | 180.0° |
| C64 | C66 | H85 | H86 | 120.0° | 120.0° |
| C64 | C66 | H85 | H87 | 120.0° | 120.0° |
| C64 | C66 | H86 | H87 | 120.0° | 120.0° |
| H81 | C64 | C65 | H82 | 60.8° | 179.9° |
| H81 | C64 | C65 | H83 | 59.2° | 60.0° |
| H81 | C64 | C65 | H84 | 179.2° | 60.1° |
| H81 | C64 | C66 | H85 | 61.0° | 60.0° |
| H81 | C64 | C66 | H86 | 179.0° | 180.0° |
| H81 | C64 | C66 | H87 | 59.0° | 60.0° |
| H82 | C65 | H83 | H84 | 120.0° | 120.0° |
| H85 | C66 | H86 | H87 | 120.0° | 120.0° |
