PRD_002267
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.50Å | |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.57Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | O2 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.50Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.46Å | 1.45Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.21Å | 1.26Å | |
| C19 | O4 | sing | 1.43Å | 1.42Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C25 | sing | 1.51Å | 1.51Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | N5 | sing | 1.47Å | 1.44Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| N5 | C24 | sing | 1.37Å | 1.33Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| C24 | N6 | sing | 1.33Å | 1.32Å | |
| C24 | N7 | doub | 1.33Å | 1.33Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| C25 | O5 | doub | 1.21Å | 1.23Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C26 | N8 | sing | 1.46Å | 1.46Å | |
| C26 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | O6 | doub | 1.21Å | 1.24Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| N9 | C32 | sing | 1.46Å | 1.46Å | |
| N9 | H53 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | C34 | sing | 1.53Å | 1.55Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | O7 | doub | 1.21Å | 1.23Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | C36 | sing | 1.53Å | 1.51Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | C37 | sing | 1.53Å | 1.49Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| N10 | C38 | sing | 1.47Å | 1.44Å | |
| N10 | H64 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C38 | C40 | sing | 1.53Å | 1.50Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | O8 | doub | 1.21Å | 1.26Å | |
| C40 | O9 | sing | 1.43Å | 1.38Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| O9 | H68 | sing | 0.97Å | 0.95Å | |
| N11 | C41 | sing | 1.47Å | 1.46Å | |
| N11 | H69 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C41 | C44 | sing | 1.51Å | 1.51Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | O10 | sing | 1.45Å | 1.45Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | O11 | doub | 1.21Å | 1.22Å | |
| N12 | C45 | sing | 1.48Å | 1.46Å | |
| N12 | H75 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.50Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C46 | O12 | doub | 1.21Å | 1.23Å | |
| C47 | H77 | sing | 1.09Å | 1.10Å | |
| C47 | H78 | sing | 1.09Å | 1.10Å | |
| C47 | H79 | sing | 1.09Å | 1.10Å | |
| N13 | C48 | sing | 1.49Å | 1.47Å | |
| N13 | H80 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.51Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H81 | sing | 1.09Å | 1.10Å | |
| C49 | O13 | doub | 1.21Å | 1.23Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | H82 | sing | 1.09Å | 1.10Å | |
| C50 | H83 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H84 | sing | 1.09Å | 1.10Å | |
| C52 | H85 | sing | 1.09Å | 1.10Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| C52 | H87 | sing | 1.09Å | 1.10Å | |
| C53 | H88 | sing | 1.09Å | 1.10Å | |
| C53 | H89 | sing | 1.09Å | 1.10Å | |
| C53 | H90 | sing | 1.09Å | 1.10Å | |
| N14 | C54 | sing | 1.48Å | 1.46Å | |
| N14 | H91 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.53Å | |
| C54 | C56 | sing | 1.53Å | 1.56Å | |
| C54 | H92 | sing | 1.09Å | 1.10Å | |
| C55 | O14 | doub | 1.21Å | 1.23Å | |
| C56 | C57 | sing | 1.53Å | 1.54Å | |
| C56 | C58 | sing | 1.53Å | 1.52Å | |
| C56 | H93 | sing | 1.09Å | 1.10Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | H94 | sing | 1.09Å | 1.10Å | |
| C57 | H95 | sing | 1.09Å | 1.10Å | |
| C58 | H96 | sing | 1.09Å | 1.10Å | |
| C58 | H97 | sing | 1.09Å | 1.10Å | |
| C58 | H98 | sing | 1.09Å | 1.10Å | |
| C59 | H99 | sing | 1.09Å | 1.10Å | |
| C59 | H100 | sing | 1.09Å | 1.10Å | |
| C59 | H101 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | N3 | sing | 1.35Å | 1.35Å | |
| C18 | N4 | sing | 1.35Å | 1.34Å | |
| C25 | N8 | sing | 1.35Å | 1.32Å | |
| C31 | N9 | sing | 1.35Å | 1.34Å | |
| C33 | N10 | sing | 1.35Å | 1.32Å | |
| C39 | N11 | sing | 1.35Å | 1.35Å | |
| C44 | N12 | sing | 1.37Å | 1.33Å | |
| O10 | C55 | sing | 1.34Å | 1.44Å | |
| C46 | N13 | sing | 1.37Å | 1.35Å | |
| C49 | N14 | sing | 1.37Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C10 | 111.1° | 111.0° |
| C1 | N1 | H1 | 109.1° | 111.1° |
| N1 | C1 | C2 | 112.1° | 109.5° |
| N1 | C1 | C3 | 110.6° | 109.5° |
| N1 | C1 | H2 | 108.4° | 109.5° |
| C10 | N1 | H1 | 109.1° | 110.9° |
| N1 | C10 | H10 | 109.5° | 109.5° |
| N1 | C10 | H11 | 109.5° | 109.5° |
| N1 | C10 | H12 | 109.5° | 109.5° |
| C2 | C1 | C3 | 109.7° | 109.5° |
| C2 | C1 | H2 | 108.0° | 109.5° |
| C1 | C2 | O1 | 121.0° | 120.0° |
| C1 | C2 | N2 | 116.3° | 120.0° |
| C3 | C1 | H2 | 107.9° | 109.4° |
| C1 | C3 | C4 | 113.8° | 109.5° |
| C1 | C3 | H3 | 108.4° | 109.5° |
| C1 | C3 | H4 | 108.4° | 109.4° |
| O1 | C2 | N2 | 122.7° | 120.0° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C4 | C3 | H4 | 108.4° | 109.4° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | C6 | 120.5° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | C6 | 118.3° | 120.0° |
| C4 | C5 | C7 | 120.7° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C4 | C6 | C8 | 121.4° | 120.0° |
| C4 | C6 | H6 | 119.3° | 120.0° |
| C7 | C5 | H5 | 119.7° | 120.0° |
| C5 | C7 | C9 | 120.0° | 120.0° |
| C5 | C7 | H7 | 120.0° | 119.9° |
| C8 | C6 | H6 | 119.3° | 120.0° |
| C6 | C8 | C9 | 119.9° | 120.0° |
| C6 | C8 | H8 | 120.0° | 120.0° |
| C9 | C7 | H7 | 120.0° | 120.1° |
| C7 | C9 | C8 | 119.7° | 120.0° |
| C7 | C9 | H9 | 120.1° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| H10 | C10 | H11 | 109.4° | 109.4° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| C11 | N2 | H13 | 119.1° | 120.0° |
| N2 | C11 | C12 | 111.7° | 109.5° |
| N2 | C11 | C13 | 109.8° | 109.5° |
| N2 | C11 | H14 | 109.0° | 109.4° |
| C11 | N2 | C2 | 121.7° | 120.0° |
| H13 | N2 | C2 | 119.2° | 120.0° |
| C12 | C11 | C13 | 110.5° | 109.5° |
| C12 | C11 | H14 | 108.1° | 109.5° |
| C11 | C12 | O2 | 120.2° | 120.0° |
| C11 | C12 | N3 | 117.0° | 120.1° |
| C13 | C11 | H14 | 107.7° | 109.5° |
| C11 | C13 | C14 | 111.1° | 109.5° |
| C11 | C13 | C15 | 111.9° | 109.5° |
| C11 | C13 | H15 | 107.2° | 109.5° |
| O2 | C12 | N3 | 122.7° | 119.9° |
| C14 | C13 | C15 | 111.3° | 109.5° |
| C14 | C13 | H15 | 107.5° | 109.4° |
| C13 | C14 | C16 | 114.8° | 109.5° |
| C13 | C14 | H16 | 108.1° | 109.4° |
| C13 | C14 | H17 | 108.1° | 109.4° |
| C15 | C13 | H15 | 107.4° | 109.5° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| C13 | C15 | H20 | 109.5° | 109.5° |
| C16 | C14 | H16 | 108.1° | 109.5° |
| C16 | C14 | H17 | 108.1° | 109.5° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.4° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| C17 | N3 | H24 | 119.8° | 120.0° |
| N3 | C17 | C18 | 111.5° | 109.5° |
| N3 | C17 | C19 | 111.8° | 109.5° |
| N3 | C17 | H25 | 108.4° | 109.5° |
| C17 | N3 | C12 | 120.3° | 120.0° |
| H24 | N3 | C12 | 119.8° | 120.0° |
| C18 | C17 | C19 | 110.0° | 109.5° |
| C18 | C17 | H25 | 107.5° | 109.5° |
| C17 | C18 | O3 | 121.2° | 120.0° |
| C17 | C18 | N4 | 113.9° | 120.0° |
| C19 | C17 | H25 | 107.4° | 109.5° |
| C17 | C19 | O4 | 112.1° | 109.5° |
| C17 | C19 | H26 | 108.8° | 109.4° |
| C17 | C19 | H27 | 108.8° | 109.5° |
| O3 | C18 | N4 | 124.9° | 120.0° |
| O4 | C19 | H26 | 108.8° | 109.5° |
| O4 | C19 | H27 | 108.8° | 109.5° |
| C19 | O4 | H28 | 109.5° | 114.0° |
| H26 | C19 | H27 | 109.5° | 109.4° |
| C20 | N4 | H29 | 118.2° | 120.0° |
| N4 | C20 | C21 | 110.6° | 109.5° |
| N4 | C20 | C25 | 111.7° | 109.5° |
| N4 | C20 | H30 | 109.8° | 109.5° |
| C20 | N4 | C18 | 123.6° | 120.0° |
| H29 | N4 | C18 | 118.2° | 120.0° |
| C21 | C20 | C25 | 106.6° | 109.4° |
| C21 | C20 | H30 | 109.0° | 109.5° |
| C20 | C21 | C22 | 113.8° | 109.5° |
| C20 | C21 | H31 | 108.4° | 109.5° |
| C20 | C21 | H32 | 108.4° | 109.5° |
| C25 | C20 | H30 | 109.1° | 109.5° |
| C20 | C25 | O5 | 120.0° | 120.0° |
| C20 | C25 | N8 | 117.6° | 120.0° |
| C22 | C21 | H31 | 108.4° | 109.5° |
| C22 | C21 | H32 | 108.4° | 109.5° |
| C21 | C22 | C23 | 109.7° | 109.4° |
| C21 | C22 | H33 | 109.4° | 109.4° |
| C21 | C22 | H34 | 109.4° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.4° |
| C23 | C22 | H33 | 109.4° | 109.5° |
| C23 | C22 | H34 | 109.4° | 109.5° |
| C22 | C23 | N5 | 111.8° | 109.4° |
| C22 | C23 | H35 | 108.9° | 109.5° |
| C22 | C23 | H36 | 108.9° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| N5 | C23 | H35 | 108.9° | 109.4° |
| N5 | C23 | H36 | 108.9° | 109.5° |
| C23 | N5 | C24 | 123.3° | 120.0° |
| C23 | N5 | H37 | 118.4° | 120.0° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| C24 | N5 | H37 | 118.3° | 120.0° |
| N5 | C24 | N6 | 120.3° | 120.1° |
| N5 | C24 | N7 | 120.5° | 120.0° |
| N6 | C24 | N7 | 119.1° | 120.0° |
| C24 | N6 | H38 | 120.0° | 120.0° |
| C24 | N6 | H39 | 120.0° | 120.1° |
| C24 | N7 | H40 | 120.0° | 120.0° |
| C24 | N7 | H41 | 120.0° | 120.0° |
| H38 | N6 | H39 | 120.0° | 120.0° |
| H40 | N7 | H41 | 120.0° | 120.0° |
| O5 | C25 | N8 | 122.4° | 120.0° |
| C28 | C27 | C29 | 110.2° | 109.4° |
| C28 | C27 | C26 | 109.9° | 109.5° |
| C28 | C27 | H44 | 109.1° | 109.5° |
| C27 | C28 | H45 | 109.5° | 109.5° |
| C27 | C28 | H46 | 109.5° | 109.5° |
| C27 | C28 | H47 | 109.4° | 109.4° |
| C29 | C27 | C26 | 109.7° | 109.5° |
| C27 | C29 | C30 | 113.7° | 109.5° |
| C29 | C27 | H44 | 109.0° | 109.4° |
| C27 | C29 | H48 | 108.4° | 109.5° |
| C27 | C29 | H49 | 108.4° | 109.4° |
| C27 | C26 | N8 | 112.5° | 109.5° |
| C27 | C26 | C31 | 109.5° | 109.4° |
| C27 | C26 | H43 | 107.0° | 109.5° |
| C26 | C27 | H44 | 108.9° | 109.5° |
| C30 | C29 | H48 | 108.4° | 109.5° |
| C30 | C29 | H49 | 108.4° | 109.5° |
| C29 | C30 | H50 | 109.5° | 109.5° |
| C29 | C30 | H51 | 109.5° | 109.5° |
| C29 | C30 | H52 | 109.5° | 109.5° |
| N8 | C26 | C31 | 112.5° | 109.4° |
| C26 | N8 | H42 | 120.5° | 120.0° |
| N8 | C26 | H43 | 107.9° | 109.5° |
| C26 | N8 | C25 | 119.0° | 120.0° |
| C26 | C31 | O6 | 120.5° | 120.0° |
| C31 | C26 | H43 | 107.2° | 109.5° |
| C26 | C31 | N9 | 115.2° | 120.0° |
| O6 | C31 | N9 | 124.3° | 120.0° |
| H42 | N8 | C25 | 120.5° | 120.0° |
| H45 | C28 | H46 | 109.5° | 109.6° |
| H45 | C28 | H47 | 109.5° | 109.5° |
| H46 | C28 | H47 | 109.5° | 109.4° |
| H48 | C29 | H49 | 109.5° | 109.5° |
| H50 | C30 | H51 | 109.4° | 109.5° |
| H50 | C30 | H52 | 109.5° | 109.4° |
| H51 | C30 | H52 | 109.5° | 109.5° |
| C32 | N9 | H53 | 118.8° | 120.0° |
| N9 | C32 | C33 | 111.7° | 109.5° |
| N9 | C32 | C34 | 111.6° | 109.5° |
| N9 | C32 | H54 | 109.4° | 109.5° |
| C32 | N9 | C31 | 122.4° | 120.0° |
| H53 | N9 | C31 | 118.8° | 120.0° |
| C33 | C32 | C34 | 107.2° | 109.5° |
| C33 | C32 | H54 | 108.7° | 109.5° |
| C32 | C33 | O7 | 121.3° | 120.0° |
| C32 | C33 | N10 | 114.9° | 120.0° |
| C34 | C32 | H54 | 108.2° | 109.4° |
| C32 | C34 | C35 | 112.5° | 109.4° |
| C32 | C34 | C36 | 110.2° | 109.4° |
| C32 | C34 | H55 | 108.6° | 109.5° |
| O7 | C33 | N10 | 123.7° | 120.0° |
| C35 | C34 | C36 | 107.4° | 109.5° |
| C35 | C34 | H55 | 108.9° | 109.5° |
| C34 | C35 | C37 | 116.4° | 109.4° |
| C34 | C35 | H56 | 107.7° | 109.5° |
| C34 | C35 | H57 | 107.7° | 109.5° |
| C36 | C34 | H55 | 109.2° | 109.5° |
| C34 | C36 | H58 | 109.5° | 109.5° |
| C34 | C36 | H59 | 109.5° | 109.4° |
| C34 | C36 | H60 | 109.5° | 109.5° |
| C37 | C35 | H56 | 107.7° | 109.5° |
| C37 | C35 | H57 | 107.7° | 109.5° |
| C35 | C37 | H61 | 109.5° | 109.5° |
| C35 | C37 | H62 | 109.5° | 109.5° |
| C35 | C37 | H63 | 109.5° | 109.5° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| H58 | C36 | H59 | 109.5° | 109.4° |
| H58 | C36 | H60 | 109.4° | 109.5° |
| H59 | C36 | H60 | 109.5° | 109.5° |
| H61 | C37 | H62 | 109.5° | 109.4° |
| H61 | C37 | H63 | 109.4° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.5° |
| C38 | N10 | H64 | 119.1° | 120.0° |
| N10 | C38 | C39 | 113.6° | 109.4° |
| N10 | C38 | C40 | 110.4° | 109.4° |
| N10 | C38 | H65 | 108.7° | 109.5° |
| C38 | N10 | C33 | 121.8° | 120.0° |
| H64 | N10 | C33 | 119.1° | 120.0° |
| C39 | C38 | C40 | 108.4° | 109.5° |
| C39 | C38 | H65 | 107.7° | 109.5° |
| C38 | C39 | O8 | 121.6° | 120.0° |
| C38 | C39 | N11 | 112.0° | 119.9° |
| C40 | C38 | H65 | 107.9° | 109.5° |
| C38 | C40 | O9 | 110.7° | 109.5° |
| C38 | C40 | H66 | 109.2° | 109.5° |
| C38 | C40 | H67 | 109.2° | 109.5° |
| O8 | C39 | N11 | 126.3° | 120.0° |
| O9 | C40 | H66 | 109.2° | 109.5° |
| O9 | C40 | H67 | 109.2° | 109.5° |
| C40 | O9 | H68 | 109.5° | 114.0° |
| H66 | C40 | H67 | 109.5° | 109.4° |
| C41 | N11 | H69 | 117.8° | 119.9° |
| N11 | C41 | C42 | 113.1° | 109.5° |
| N11 | C41 | C44 | 111.0° | 109.5° |
| N11 | C41 | H70 | 109.5° | 109.5° |
| C41 | N11 | C39 | 124.4° | 120.0° |
| H69 | N11 | C39 | 117.8° | 120.1° |
| C42 | C41 | C44 | 105.9° | 109.3° |
| C42 | C41 | H70 | 108.4° | 109.5° |
| C41 | C42 | C43 | 109.5° | 109.5° |
| C41 | C42 | O10 | 111.5° | 109.3° |
| C41 | C42 | H71 | 108.0° | 109.5° |
| C44 | C41 | H70 | 108.8° | 109.5° |
| C41 | C44 | O11 | 121.0° | 120.5° |
| C41 | C44 | N12 | 117.0° | 119.0° |
| C43 | C42 | O10 | 109.8° | 109.5° |
| C43 | C42 | H71 | 108.5° | 109.5° |
| C42 | C43 | H72 | 109.5° | 109.5° |
| C42 | C43 | H73 | 109.4° | 109.4° |
| C42 | C43 | H74 | 109.5° | 109.4° |
| O10 | C42 | H71 | 109.4° | 109.5° |
| C42 | O10 | C55 | 116.1° | 117.0° |
| H72 | C43 | H73 | 109.5° | 109.5° |
| H72 | C43 | H74 | 109.4° | 109.4° |
| H73 | C43 | H74 | 109.5° | 109.5° |
| O11 | C44 | N12 | 122.0° | 120.5° |
| C45 | N12 | H75 | 119.3° | 122.3° |
| N12 | C45 | C46 | 111.3° | 108.5° |
| N12 | C45 | C47 | 109.4° | 109.6° |
| N12 | C45 | H76 | 109.0° | 109.7° |
| C45 | N12 | C44 | 121.4° | 115.5° |
| H75 | N12 | C44 | 119.3° | 122.3° |
| C46 | C45 | C47 | 110.4° | 109.6° |
| C46 | C45 | H76 | 108.2° | 109.6° |
| C45 | C46 | O12 | 120.1° | 120.8° |
| C45 | C46 | N13 | 117.4° | 118.4° |
| C47 | C45 | H76 | 108.5° | 109.8° |
| C45 | C47 | H77 | 109.5° | 109.5° |
| C45 | C47 | H78 | 109.5° | 109.5° |
| C45 | C47 | H79 | 109.5° | 109.5° |
| O12 | C46 | N13 | 122.5° | 120.8° |
| H77 | C47 | H78 | 109.5° | 109.5° |
| H77 | C47 | H79 | 109.5° | 109.5° |
| H78 | C47 | H79 | 109.5° | 109.4° |
| C48 | N13 | H80 | 119.7° | 123.2° |
| N13 | C48 | C49 | 108.6° | 108.1° |
| N13 | C48 | C50 | 111.7° | 109.7° |
| N13 | C48 | H81 | 109.9° | 109.7° |
| C48 | N13 | C46 | 120.6° | 113.6° |
| H80 | N13 | C46 | 119.7° | 123.2° |
| C49 | C48 | C50 | 108.3° | 109.8° |
| C49 | C48 | H81 | 109.3° | 109.8° |
| C48 | C49 | O13 | 122.1° | 120.6° |
| C48 | C49 | N14 | 114.3° | 118.8° |
| C50 | C48 | H81 | 109.0° | 109.8° |
| C48 | C50 | C51 | 116.8° | 109.5° |
| C48 | C50 | H82 | 107.6° | 109.5° |
| C48 | C50 | H83 | 107.6° | 109.5° |
| O13 | C49 | N14 | 123.7° | 120.6° |
| C51 | C50 | H82 | 107.6° | 109.5° |
| C51 | C50 | H83 | 107.6° | 109.5° |
| C50 | C51 | C52 | 110.4° | 109.5° |
| C50 | C51 | C53 | 112.9° | 109.5° |
| C50 | C51 | H84 | 107.6° | 109.5° |
| H82 | C50 | H83 | 109.5° | 109.5° |
| C52 | C51 | C53 | 110.2° | 109.5° |
| C52 | C51 | H84 | 107.9° | 109.5° |
| C51 | C52 | H85 | 109.5° | 109.5° |
| C51 | C52 | H86 | 109.5° | 109.5° |
| C51 | C52 | H87 | 109.5° | 109.5° |
| C53 | C51 | H84 | 107.6° | 109.5° |
| C51 | C53 | H88 | 109.5° | 109.5° |
| C51 | C53 | H89 | 109.5° | 109.4° |
| C51 | C53 | H90 | 109.4° | 109.4° |
| H85 | C52 | H86 | 109.5° | 109.4° |
| H85 | C52 | H87 | 109.5° | 109.5° |
| H86 | C52 | H87 | 109.4° | 109.5° |
| H88 | C53 | H89 | 109.5° | 109.5° |
| H88 | C53 | H90 | 109.5° | 109.5° |
| H89 | C53 | H90 | 109.5° | 109.5° |
| C54 | N14 | H91 | 119.5° | 122.2° |
| N14 | C54 | C55 | 109.3° | 108.5° |
| N14 | C54 | C56 | 112.5° | 109.6° |
| N14 | C54 | H92 | 108.7° | 109.6° |
| C54 | N14 | C49 | 120.9° | 115.6° |
| H91 | N14 | C49 | 119.6° | 122.2° |
| C55 | C54 | C56 | 110.9° | 109.6° |
| C55 | C54 | H92 | 107.8° | 109.7° |
| C54 | C55 | O14 | 121.1° | 120.0° |
| C54 | C55 | O10 | 115.8° | 119.9° |
| C56 | C54 | H92 | 107.4° | 109.8° |
| C54 | C56 | C57 | 111.2° | 109.5° |
| C54 | C56 | C58 | 110.3° | 109.5° |
| C54 | C56 | H93 | 108.4° | 109.5° |
| O14 | C55 | O10 | 123.1° | 120.1° |
| C57 | C56 | C58 | 109.1° | 109.5° |
| C57 | C56 | H93 | 108.7° | 109.5° |
| C56 | C57 | C59 | 113.8° | 109.5° |
| C56 | C57 | H94 | 108.4° | 109.4° |
| C56 | C57 | H95 | 108.4° | 109.5° |
| C58 | C56 | H93 | 108.9° | 109.5° |
| C56 | C58 | H96 | 109.5° | 109.4° |
| C56 | C58 | H97 | 109.5° | 109.5° |
| C56 | C58 | H98 | 109.5° | 109.5° |
| C59 | C57 | H94 | 108.4° | 109.5° |
| C59 | C57 | H95 | 108.4° | 109.5° |
| C57 | C59 | H99 | 109.5° | 109.4° |
| C57 | C59 | H100 | 109.5° | 109.4° |
| C57 | C59 | H101 | 109.5° | 109.5° |
| H94 | C57 | H95 | 109.5° | 109.4° |
| H96 | C58 | H97 | 109.5° | 109.5° |
| H96 | C58 | H98 | 109.5° | 109.5° |
| H97 | C58 | H98 | 109.4° | 109.5° |
| H99 | C59 | H100 | 109.5° | 109.5° |
| H99 | C59 | H101 | 109.5° | 109.5° |
| H100 | C59 | H101 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C10 | H1 | 120.2° | 124.0° |
| N1 | C1 | C2 | C3 | 123.3° | 120.0° |
| N1 | C1 | C2 | H2 | 119.3° | 120.1° |
| N1 | C1 | C3 | H2 | 118.4° | 120.0° |
| N1 | C1 | C2 | O1 | 102.9° | 25.3° |
| N1 | C1 | C3 | C4 | 151.9° | 65.0° |
| N1 | C1 | C3 | H3 | 87.5° | 175.0° |
| N1 | C1 | C3 | H4 | 31.3° | 55.0° |
| C1 | N1 | C10 | H10 | 180.0° | 175.0° |
| C1 | N1 | C10 | H11 | 60.0° | 55.1° |
| C1 | N1 | C10 | H12 | 60.0° | 64.9° |
| N1 | C1 | C2 | N2 | 76.9° | 154.6° |
| C10 | N1 | C1 | C2 | 62.5° | 80.8° |
| C10 | N1 | C1 | C3 | 60.3° | 159.2° |
| C10 | N1 | C1 | H2 | 178.5° | 39.3° |
| N1 | C10 | H10 | H11 | 120.0° | 120.0° |
| N1 | C10 | H10 | H12 | 120.0° | 120.1° |
| N1 | C10 | H11 | H12 | 120.0° | 120.0° |
| H1 | N1 | C1 | C2 | 57.7° | 155.3° |
| H1 | N1 | C1 | C3 | 179.4° | 35.3° |
| H1 | N1 | C1 | H2 | 61.3° | 84.6° |
| H1 | N1 | C10 | H10 | 59.8° | 61.0° |
| H1 | N1 | C10 | H11 | 179.7° | 179.1° |
| H1 | N1 | C10 | H12 | 60.3° | 59.1° |
| C2 | C1 | C3 | H2 | 117.4° | 120.0° |
| C1 | C2 | O1 | N2 | 179.7° | 180.0° |
| C2 | C1 | C3 | C4 | 83.9° | 175.0° |
| C2 | C1 | C3 | H3 | 36.7° | 55.0° |
| C2 | C1 | C3 | H4 | 155.5° | 65.0° |
| C1 | C2 | N2 | C11 | 178.6° | 175.1° |
| C1 | C2 | N2 | H13 | 1.4° | 4.9° |
| C3 | C1 | C2 | O1 | 20.5° | 94.7° |
| C1 | C3 | C4 | H3 | 120.6° | 120.1° |
| C1 | C3 | C4 | H4 | 120.6° | 120.0° |
| C1 | C3 | H3 | H4 | 118.0° | 120.0° |
| C1 | C3 | C4 | C5 | 23.0° | 90.0° |
| C1 | C3 | C4 | C6 | 157.7° | 90.2° |
| C3 | C1 | C2 | N2 | 159.8° | 85.3° |
| H2 | C1 | C2 | O1 | 137.9° | 145.4° |
| H2 | C1 | C3 | C4 | 33.5° | 55.0° |
| H2 | C1 | C3 | H3 | 154.2° | 65.0° |
| H2 | C1 | C3 | H4 | 87.1° | 175.0° |
| H2 | C1 | C2 | N2 | 42.4° | 34.6° |
| O1 | C2 | N2 | C11 | 1.7° | 4.9° |
| O1 | C2 | N2 | H13 | 178.3° | 175.1° |
| C4 | C3 | H3 | H4 | 118.0° | 119.9° |
| C3 | C4 | C5 | C6 | 179.4° | 179.8° |
| C3 | C4 | C5 | C7 | 179.7° | 179.9° |
| C3 | C4 | C5 | H5 | 0.3° | 0.0° |
| C3 | C4 | C6 | C8 | 179.7° | 180.0° |
| C3 | C4 | C6 | H6 | 0.3° | 0.1° |
| H3 | C3 | C4 | C5 | 143.6° | 30.1° |
| H3 | C3 | C4 | C6 | 37.0° | 149.7° |
| H4 | C3 | C4 | C5 | 97.6° | 150.0° |
| H4 | C3 | C4 | C6 | 81.7° | 29.8° |
| C4 | C5 | C7 | H5 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.9° | 0.3° |
| C5 | C4 | C6 | H6 | 179.1° | 179.7° |
| C4 | C5 | C7 | C9 | 1.0° | 0.1° |
| C4 | C5 | C7 | H7 | 179.1° | 180.0° |
| C6 | C4 | C5 | C7 | 1.0° | 0.3° |
| C6 | C4 | C5 | H5 | 179.0° | 179.8° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.8° | 0.0° |
| C4 | C6 | C8 | H8 | 179.2° | 179.9° |
| C5 | C7 | C9 | H7 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 0.9° | 0.2° |
| C5 | C7 | C9 | H9 | 179.2° | 180.0° |
| H5 | C5 | C7 | C9 | 179.0° | 180.0° |
| H5 | C5 | C7 | H7 | 0.9° | 0.0° |
| C6 | C8 | C9 | C7 | 0.8° | 0.2° |
| C6 | C8 | C9 | H8 | 180.0° | 179.9° |
| C6 | C8 | C9 | H9 | 179.2° | 180.0° |
| H6 | C6 | C8 | C9 | 179.2° | 179.9° |
| H6 | C6 | C8 | H8 | 0.8° | 0.0° |
| C7 | C9 | C8 | H9 | 180.0° | 179.8° |
| C7 | C9 | C8 | H8 | 179.2° | 179.7° |
| H7 | C7 | C9 | C8 | 179.2° | 179.8° |
| H7 | C7 | C9 | H9 | 0.8° | 0.0° |
| H8 | C8 | C9 | H9 | 0.8° | 0.1° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| C11 | N2 | H13 | C2 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 122.5° | 120.0° |
| N2 | C11 | C12 | H14 | 119.9° | 120.0° |
| N2 | C11 | C13 | H14 | 118.5° | 119.9° |
| N2 | C11 | C12 | O2 | 30.9° | 1.6° |
| N2 | C11 | C13 | C14 | 158.7° | 52.5° |
| N2 | C11 | C13 | C15 | 76.1° | 67.5° |
| N2 | C11 | C13 | H15 | 41.5° | 172.5° |
| N2 | C11 | C12 | N3 | 147.2° | 178.4° |
| H13 | N2 | C11 | C12 | 58.0° | 33.1° |
| H13 | N2 | C11 | C13 | 65.0° | 87.0° |
| H13 | N2 | C11 | H14 | 177.3° | 153.1° |
| C12 | C11 | C13 | H14 | 117.9° | 120.0° |
| C11 | C12 | O2 | N3 | 177.9° | 180.0° |
| C12 | C11 | C13 | C14 | 77.7° | 67.6° |
| C12 | C11 | C13 | C15 | 47.5° | 172.4° |
| C12 | C11 | C13 | H15 | 165.1° | 52.4° |
| C11 | C12 | N3 | C17 | 177.4° | 175.1° |
| C11 | C12 | N3 | H24 | 2.6° | 5.0° |
| C12 | C11 | N2 | C2 | 122.0° | 146.9° |
| C13 | C11 | C12 | O2 | 91.6° | 118.4° |
| C11 | C13 | C14 | C15 | 125.5° | 120.0° |
| C11 | C13 | C14 | H15 | 117.1° | 120.0° |
| C11 | C13 | C15 | H15 | 117.4° | 120.0° |
| C11 | C13 | C14 | C16 | 175.5° | 73.5° |
| C11 | C13 | C14 | H16 | 63.7° | 166.5° |
| C11 | C13 | C14 | H17 | 54.7° | 46.5° |
| C11 | C13 | C15 | H18 | 180.0° | 65.4° |
| C11 | C13 | C15 | H19 | 60.0° | 174.6° |
| C11 | C13 | C15 | H20 | 60.0° | 54.6° |
| C13 | C11 | N2 | C2 | 115.0° | 93.0° |
| C13 | C11 | C12 | N3 | 90.3° | 61.6° |
| H14 | C11 | C12 | O2 | 150.7° | 121.6° |
| H14 | C11 | C13 | C14 | 40.2° | 172.4° |
| H14 | C11 | C13 | C15 | 165.4° | 52.4° |
| H14 | C11 | C13 | H15 | 77.0° | 67.6° |
| H14 | C11 | N2 | C2 | 2.7° | 26.9° |
| H14 | C11 | C12 | N3 | 27.3° | 58.4° |
| O2 | C12 | N3 | C17 | 4.6° | 5.0° |
| O2 | C12 | N3 | H24 | 175.4° | 175.0° |
| C14 | C13 | C15 | H15 | 117.5° | 120.0° |
| C13 | C14 | C16 | H16 | 120.8° | 120.0° |
| C13 | C14 | C16 | H17 | 120.8° | 120.0° |
| C13 | C14 | H16 | H17 | 117.6° | 119.9° |
| C14 | C13 | C15 | H18 | 55.0° | 54.6° |
| C14 | C13 | C15 | H19 | 175.0° | 65.4° |
| C14 | C13 | C15 | H20 | 65.1° | 174.6° |
| C13 | C14 | C16 | H21 | 180.0° | 175.3° |
| C13 | C14 | C16 | H22 | 60.0° | 64.7° |
| C13 | C14 | C16 | H23 | 60.0° | 55.3° |
| C15 | C13 | C14 | C16 | 59.0° | 166.5° |
| C15 | C13 | C14 | H16 | 61.8° | 46.4° |
| C15 | C13 | C14 | H17 | 179.8° | 73.5° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H20 | 120.0° | 120.0° |
| C13 | C15 | H19 | H20 | 120.0° | 120.0° |
| H15 | C13 | C14 | C16 | 58.4° | 46.5° |
| H15 | C13 | C14 | H16 | 179.2° | 73.5° |
| H15 | C13 | C14 | H17 | 62.3° | 166.5° |
| H15 | C13 | C15 | H18 | 62.6° | 174.6° |
| H15 | C13 | C15 | H19 | 57.5° | 54.6° |
| H15 | C13 | C15 | H20 | 177.4° | 65.5° |
| C16 | C14 | H16 | H17 | 117.5° | 120.1° |
| C14 | C16 | H21 | H22 | 120.0° | 120.0° |
| C14 | C16 | H21 | H23 | 120.0° | 120.0° |
| C14 | C16 | H22 | H23 | 120.0° | 120.1° |
| H16 | C14 | C16 | H21 | 59.2° | 55.3° |
| H16 | C14 | C16 | H22 | 179.2° | 175.3° |
| H16 | C14 | C16 | H23 | 60.8° | 64.7° |
| H17 | C14 | C16 | H21 | 59.2° | 64.7° |
| H17 | C14 | C16 | H22 | 60.8° | 55.2° |
| H17 | C14 | C16 | H23 | 179.2° | 175.3° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C16 | H22 | H23 | 120.0° | 119.9° |
| C17 | N3 | H24 | C12 | 180.0° | 179.9° |
| N3 | C17 | C18 | C19 | 124.6° | 120.0° |
| N3 | C17 | C18 | H25 | 118.7° | 120.0° |
| N3 | C17 | C19 | H25 | 118.8° | 120.0° |
| N3 | C17 | C18 | O3 | 39.8° | 0.0° |
| N3 | C17 | C19 | O4 | 58.6° | 65.0° |
| N3 | C17 | C19 | H26 | 61.8° | 175.0° |
| N3 | C17 | C19 | H27 | 179.0° | 55.0° |
| N3 | C17 | C18 | N4 | 141.0° | 180.0° |
| H24 | N3 | C17 | C18 | 34.5° | 24.9° |
| H24 | N3 | C17 | C19 | 89.1° | 95.0° |
| H24 | N3 | C17 | H25 | 152.6° | 145.0° |
| C18 | C17 | C19 | H25 | 116.7° | 120.0° |
| C17 | C18 | O3 | N4 | 179.2° | 180.0° |
| C18 | C17 | C19 | O4 | 176.9° | 55.0° |
| C18 | C17 | C19 | H26 | 62.7° | 65.0° |
| C18 | C17 | C19 | H27 | 56.5° | 175.0° |
| C17 | C18 | N4 | C20 | 179.3° | 180.0° |
| C17 | C18 | N4 | H29 | 0.6° | 0.0° |
| C18 | C17 | N3 | C12 | 145.5° | 155.0° |
| C19 | C17 | C18 | O3 | 84.9° | 120.0° |
| C17 | C19 | O4 | H26 | 120.4° | 120.0° |
| C17 | C19 | O4 | H27 | 120.4° | 120.0° |
| C17 | C19 | H26 | H27 | 118.8° | 120.0° |
| C17 | C19 | O4 | H28 | 1.7° | 180.0° |
| C19 | C17 | N3 | C12 | 90.9° | 85.0° |
| C19 | C17 | C18 | N4 | 94.4° | 60.0° |
| H25 | C17 | C18 | O3 | 158.5° | 120.0° |
| H25 | C17 | C19 | O4 | 60.2° | 175.0° |
| H25 | C17 | C19 | H26 | 179.4° | 55.0° |
| H25 | C17 | C19 | H27 | 60.2° | 65.0° |
| H25 | C17 | N3 | C12 | 27.4° | 35.0° |
| H25 | C17 | C18 | N4 | 22.3° | 60.0° |
| O3 | C18 | N4 | C20 | 0.1° | 0.0° |
| O3 | C18 | N4 | H29 | 179.9° | 180.0° |
| O4 | C19 | H26 | H27 | 118.8° | 120.0° |
| H26 | C19 | O4 | H28 | 118.7° | 60.0° |
| H27 | C19 | O4 | H28 | 122.1° | 60.0° |
| C20 | N4 | H29 | C18 | 180.0° | 180.0° |
| N4 | C20 | C21 | C25 | 121.5° | 120.0° |
| N4 | C20 | C21 | H30 | 120.8° | 120.0° |
| N4 | C20 | C25 | H30 | 121.6° | 120.0° |
| N4 | C20 | C21 | C22 | 74.7° | 65.0° |
| N4 | C20 | C21 | H31 | 164.7° | 175.0° |
| N4 | C20 | C21 | H32 | 46.0° | 55.0° |
| N4 | C20 | C25 | O5 | 61.7° | 0.0° |
| N4 | C20 | C25 | N8 | 118.4° | 180.0° |
| H29 | N4 | C20 | C21 | 72.4° | 95.0° |
| H29 | N4 | C20 | C25 | 46.1° | 25.0° |
| H29 | N4 | C20 | H30 | 167.3° | 145.0° |
| C21 | C20 | C25 | H30 | 117.5° | 120.0° |
| C20 | C21 | C22 | H31 | 120.6° | 120.0° |
| C20 | C21 | C22 | H32 | 120.6° | 120.0° |
| C20 | C21 | H31 | H32 | 118.0° | 120.0° |
| C20 | C21 | C22 | C23 | 155.8° | 180.0° |
| C20 | C21 | C22 | H33 | 35.7° | 60.0° |
| C20 | C21 | C22 | H34 | 84.2° | 60.0° |
| C21 | C20 | C25 | O5 | 59.1° | 120.0° |
| C21 | C20 | N4 | C18 | 107.6° | 85.0° |
| C21 | C20 | C25 | N8 | 120.8° | 60.0° |
| C25 | C20 | C21 | C22 | 163.8° | 175.0° |
| C25 | C20 | C21 | H31 | 43.2° | 55.0° |
| C25 | C20 | C21 | H32 | 75.6° | 65.0° |
| C20 | C25 | O5 | N8 | 179.9° | 180.0° |
| C20 | C25 | N8 | C26 | 177.9° | 180.0° |
| C20 | C25 | N8 | H42 | 2.1° | 0.1° |
| C25 | C20 | N4 | C18 | 133.9° | 155.0° |
| H30 | C20 | C21 | C22 | 46.2° | 55.0° |
| H30 | C20 | C21 | H31 | 74.5° | 65.0° |
| H30 | C20 | C21 | H32 | 166.8° | 175.0° |
| H30 | C20 | C25 | O5 | 176.6° | 120.0° |
| H30 | C20 | N4 | C18 | 12.7° | 35.0° |
| H30 | C20 | C25 | N8 | 3.2° | 60.0° |
| C22 | C21 | H31 | H32 | 118.0° | 120.0° |
| C21 | C22 | C23 | H33 | 120.0° | 119.9° |
| C21 | C22 | C23 | H34 | 120.1° | 119.9° |
| C21 | C22 | H33 | H34 | 119.9° | 119.9° |
| C21 | C22 | C23 | N5 | 84.2° | 180.0° |
| C21 | C22 | C23 | H35 | 155.5° | 60.0° |
| C21 | C22 | C23 | H36 | 36.2° | 60.0° |
| H31 | C21 | C22 | C23 | 83.6° | 60.0° |
| H31 | C21 | C22 | H33 | 156.3° | 180.0° |
| H31 | C21 | C22 | H34 | 36.4° | 60.0° |
| H32 | C21 | C22 | C23 | 35.1° | 60.0° |
| H32 | C21 | C22 | H33 | 84.9° | 60.0° |
| H32 | C21 | C22 | H34 | 155.2° | 180.0° |
| C23 | C22 | H33 | H34 | 119.9° | 120.1° |
| C22 | C23 | N5 | H35 | 120.3° | 120.0° |
| C22 | C23 | N5 | H36 | 120.4° | 120.0° |
| C22 | C23 | H35 | H36 | 118.9° | 120.1° |
| C22 | C23 | N5 | C24 | 103.5° | 180.0° |
| C22 | C23 | N5 | H37 | 76.4° | 0.0° |
| H33 | C22 | C23 | N5 | 35.9° | 60.1° |
| H33 | C22 | C23 | H35 | 84.5° | 180.0° |
| H33 | C22 | C23 | H36 | 156.2° | 59.9° |
| H34 | C22 | C23 | N5 | 155.8° | 60.1° |
| H34 | C22 | C23 | H35 | 35.4° | 59.9° |
| H34 | C22 | C23 | H36 | 83.9° | 180.0° |
| N5 | C23 | H35 | H36 | 118.9° | 120.0° |
| C23 | N5 | C24 | H37 | 180.0° | 180.0° |
| C23 | N5 | C24 | N6 | 178.8° | 0.0° |
| C23 | N5 | C24 | N7 | 4.8° | 180.0° |
| H35 | C23 | N5 | C24 | 16.8° | 60.0° |
| H35 | C23 | N5 | H37 | 163.2° | 120.0° |
| H36 | C23 | N5 | C24 | 136.1° | 60.0° |
| H36 | C23 | N5 | H37 | 43.9° | 120.0° |
| N5 | C24 | N6 | N7 | 176.4° | 180.0° |
| N5 | C24 | N6 | H38 | 176.4° | 0.0° |
| N5 | C24 | N6 | H39 | 3.5° | 180.0° |
| N5 | C24 | N7 | H40 | 176.5° | 180.0° |
| N5 | C24 | N7 | H41 | 3.6° | 0.0° |
| H37 | N5 | C24 | N6 | 1.2° | 180.0° |
| H37 | N5 | C24 | N7 | 175.1° | 0.0° |
| C24 | N6 | H38 | H39 | 180.0° | 180.0° |
| N6 | C24 | N7 | H40 | 0.0° | 0.0° |
| N6 | C24 | N7 | H41 | 180.0° | 180.0° |
| N7 | C24 | N6 | H38 | 0.0° | 180.0° |
| N7 | C24 | N6 | H39 | 180.0° | 0.0° |
| C24 | N7 | H40 | H41 | 180.0° | 180.0° |
| O5 | C25 | N8 | C26 | 2.0° | 0.0° |
| O5 | C25 | N8 | H42 | 178.0° | 180.0° |
| C28 | C27 | C29 | C26 | 121.2° | 120.0° |
| C28 | C27 | C29 | H44 | 119.7° | 120.0° |
| C28 | C27 | C26 | H44 | 119.4° | 120.1° |
| C28 | C27 | C29 | C30 | 160.2° | 64.0° |
| C28 | C27 | C26 | N8 | 24.2° | 177.3° |
| C28 | C27 | C26 | C31 | 101.6° | 62.8° |
| C28 | C27 | C26 | H43 | 142.6° | 57.2° |
| C27 | C28 | H45 | H46 | 120.0° | 120.1° |
| C27 | C28 | H45 | H47 | 120.0° | 119.9° |
| C27 | C28 | H46 | H47 | 120.0° | 119.9° |
| C28 | C27 | C29 | H48 | 39.6° | 56.0° |
| C28 | C27 | C29 | H49 | 79.1° | 176.0° |
| C29 | C27 | C26 | H44 | 119.2° | 120.0° |
| C27 | C29 | C30 | H48 | 120.6° | 120.0° |
| C27 | C29 | C30 | H49 | 120.6° | 119.9° |
| C29 | C27 | C26 | N8 | 97.1° | 62.7° |
| C29 | C27 | C26 | C31 | 137.0° | 57.2° |
| C29 | C27 | C26 | H43 | 21.2° | 177.2° |
| C29 | C27 | C28 | H45 | 180.0° | 54.1° |
| C29 | C27 | C28 | H46 | 60.0° | 66.0° |
| C29 | C27 | C28 | H47 | 60.0° | 174.1° |
| C27 | C29 | H48 | H49 | 118.1° | 120.0° |
| C27 | C29 | C30 | H50 | 180.0° | 180.0° |
| C27 | C29 | C30 | H51 | 60.0° | 60.0° |
| C27 | C29 | C30 | H52 | 60.0° | 60.0° |
| C26 | C27 | C29 | C30 | 78.6° | 176.0° |
| C27 | C26 | N8 | C31 | 124.2° | 120.0° |
| C27 | C26 | N8 | H43 | 117.8° | 120.0° |
| C27 | C26 | C31 | H43 | 115.7° | 120.0° |
| C27 | C26 | C31 | O6 | 103.7° | 100.5° |
| C27 | C26 | N8 | H42 | 68.9° | 95.0° |
| C26 | C27 | C28 | H45 | 59.0° | 65.9° |
| C26 | C27 | C28 | H46 | 61.1° | 174.0° |
| C26 | C27 | C28 | H47 | 179.0° | 54.0° |
| C26 | C27 | C29 | H48 | 160.8° | 64.0° |
| C26 | C27 | C29 | H49 | 42.0° | 56.0° |
| C27 | C26 | N8 | C25 | 111.1° | 85.0° |
| C27 | C26 | C31 | N9 | 78.0° | 79.5° |
| C30 | C29 | C27 | H44 | 40.5° | 56.0° |
| C30 | C29 | H48 | H49 | 118.0° | 120.0° |
| C29 | C30 | H50 | H51 | 120.0° | 120.0° |
| C29 | C30 | H50 | H52 | 120.0° | 120.0° |
| C29 | C30 | H51 | H52 | 120.0° | 120.0° |
| N8 | C26 | C31 | H43 | 118.5° | 120.0° |
| N8 | C26 | C31 | O6 | 22.2° | 19.5° |
| C26 | N8 | H42 | C25 | 180.0° | 180.0° |
| N8 | C26 | C27 | H44 | 143.7° | 57.2° |
| N8 | C26 | C31 | N9 | 156.2° | 160.5° |
| C26 | C31 | O6 | N9 | 178.2° | 180.0° |
| C31 | C26 | N8 | H42 | 55.3° | 25.0° |
| C31 | C26 | C27 | H44 | 17.8° | 177.2° |
| C26 | C31 | N9 | C32 | 177.9° | 176.0° |
| C26 | C31 | N9 | H53 | 2.1° | 4.0° |
| C31 | C26 | N8 | C25 | 124.7° | 155.0° |
| O6 | C31 | C26 | H43 | 140.6° | 139.5° |
| O6 | C31 | N9 | C32 | 3.8° | 3.9° |
| O6 | C31 | N9 | H53 | 176.2° | 176.0° |
| H42 | N8 | C26 | H43 | 173.3° | 145.0° |
| H43 | C26 | C27 | H44 | 98.0° | 62.8° |
| H43 | C26 | N8 | C25 | 6.6° | 35.0° |
| H43 | C26 | C31 | N9 | 37.7° | 40.5° |
| H44 | C27 | C28 | H45 | 60.3° | 174.0° |
| H44 | C27 | C28 | H46 | 179.6° | 53.9° |
| H44 | C27 | C28 | H47 | 59.7° | 66.0° |
| H44 | C27 | C29 | H48 | 80.1° | 176.0° |
| H44 | C27 | C29 | H49 | 161.2° | 64.0° |
| H45 | C28 | H46 | H47 | 120.0° | 120.1° |
| H48 | C29 | C30 | H50 | 59.4° | 60.0° |
| H48 | C29 | C30 | H51 | 179.4° | 180.0° |
| H48 | C29 | C30 | H52 | 60.6° | 60.0° |
| H49 | C29 | C30 | H50 | 59.3° | 60.0° |
| H49 | C29 | C30 | H51 | 60.7° | 60.0° |
| H49 | C29 | C30 | H52 | 179.3° | 180.0° |
| H50 | C30 | H51 | H52 | 120.0° | 120.0° |
| C32 | N9 | H53 | C31 | 180.0° | 179.9° |
| N9 | C32 | C33 | C34 | 122.5° | 120.1° |
| N9 | C32 | C33 | H54 | 120.8° | 120.0° |
| N9 | C32 | C34 | H54 | 120.4° | 120.0° |
| N9 | C32 | C33 | O7 | 53.8° | 3.2° |
| N9 | C32 | C34 | C35 | 154.6° | 54.1° |
| N9 | C32 | C34 | C36 | 34.7° | 65.9° |
| N9 | C32 | C34 | H55 | 84.8° | 174.1° |
| N9 | C32 | C33 | N10 | 122.4° | 176.7° |
| H53 | N9 | C32 | C33 | 63.6° | 99.4° |
| H53 | N9 | C32 | C34 | 56.4° | 20.7° |
| H53 | N9 | C32 | H54 | 176.0° | 140.6° |
| C33 | C32 | C34 | H54 | 117.0° | 120.0° |
| C32 | C33 | O7 | N10 | 175.9° | 179.9° |
| C33 | C32 | C34 | C35 | 32.0° | 66.0° |
| C33 | C32 | C34 | C36 | 87.9° | 174.1° |
| C33 | C32 | C34 | H55 | 152.6° | 54.1° |
| C32 | C33 | N10 | C38 | 174.4° | 175.0° |
| C32 | C33 | N10 | H64 | 5.6° | 5.0° |
| C33 | C32 | N9 | C31 | 116.4° | 80.7° |
| C34 | C32 | C33 | O7 | 68.8° | 123.3° |
| C32 | C34 | C35 | C36 | 121.5° | 120.0° |
| C32 | C34 | C35 | H55 | 120.4° | 120.0° |
| C32 | C34 | C36 | H55 | 119.2° | 120.0° |
| C32 | C34 | C35 | C37 | 165.1° | 70.0° |
| C32 | C34 | C35 | H56 | 73.9° | 170.1° |
| C32 | C34 | C35 | H57 | 44.1° | 50.0° |
| C32 | C34 | C36 | H58 | 180.0° | 55.3° |
| C32 | C34 | C36 | H59 | 60.0° | 175.3° |
| C32 | C34 | C36 | H60 | 60.0° | 64.8° |
| C34 | C32 | N9 | C31 | 123.6° | 159.3° |
| C34 | C32 | C33 | N10 | 115.0° | 56.6° |
| H54 | C32 | C33 | O7 | 174.5° | 116.8° |
| H54 | C32 | C34 | C35 | 85.0° | 174.1° |
| H54 | C32 | C34 | C36 | 155.1° | 54.1° |
| H54 | C32 | C34 | H55 | 35.6° | 65.9° |
| H54 | C32 | N9 | C31 | 3.9° | 39.3° |
| H54 | C32 | C33 | N10 | 1.7° | 63.3° |
| O7 | C33 | N10 | C38 | 9.5° | 5.1° |
| O7 | C33 | N10 | H64 | 170.5° | 174.9° |
| C35 | C34 | C36 | H55 | 117.9° | 120.1° |
| C34 | C35 | C37 | H56 | 121.0° | 120.0° |
| C34 | C35 | C37 | H57 | 121.0° | 120.0° |
| C34 | C35 | H56 | H57 | 116.9° | 120.0° |
| C35 | C34 | C36 | H58 | 57.1° | 64.6° |
| C35 | C34 | C36 | H59 | 177.1° | 55.3° |
| C35 | C34 | C36 | H60 | 62.9° | 175.3° |
| C34 | C35 | C37 | H61 | 180.0° | 172.3° |
| C34 | C35 | C37 | H62 | 60.0° | 67.8° |
| C34 | C35 | C37 | H63 | 60.0° | 52.2° |
| C36 | C34 | C35 | C37 | 73.4° | 170.1° |
| C36 | C34 | C35 | H56 | 47.6° | 50.1° |
| C36 | C34 | C35 | H57 | 165.6° | 69.9° |
| C34 | C36 | H58 | H59 | 120.0° | 119.9° |
| C34 | C36 | H58 | H60 | 120.0° | 120.0° |
| C34 | C36 | H59 | H60 | 120.0° | 119.9° |
| H55 | C34 | C35 | C37 | 44.7° | 50.0° |
| H55 | C34 | C35 | H56 | 165.7° | 69.9° |
| H55 | C34 | C35 | H57 | 76.3° | 170.0° |
| H55 | C34 | C36 | H58 | 60.8° | 175.3° |
| H55 | C34 | C36 | H59 | 59.3° | 64.7° |
| H55 | C34 | C36 | H60 | 179.2° | 55.2° |
| C37 | C35 | H56 | H57 | 116.9° | 120.0° |
| C35 | C37 | H61 | H62 | 120.0° | 119.9° |
| C35 | C37 | H61 | H63 | 120.0° | 120.1° |
| C35 | C37 | H62 | H63 | 120.0° | 120.1° |
| H56 | C35 | C37 | H61 | 59.0° | 52.3° |
| H56 | C35 | C37 | H62 | 179.0° | 172.2° |
| H56 | C35 | C37 | H63 | 61.0° | 67.8° |
| H57 | C35 | C37 | H61 | 59.1° | 67.7° |
| H57 | C35 | C37 | H62 | 61.0° | 52.2° |
| H57 | C35 | C37 | H63 | 179.1° | 172.2° |
| H58 | C36 | H59 | H60 | 120.0° | 120.1° |
| H61 | C37 | H62 | H63 | 120.0° | 120.0° |
| C38 | N10 | H64 | C33 | 180.0° | 180.0° |
| N10 | C38 | C39 | C40 | 123.1° | 120.0° |
| N10 | C38 | C39 | H65 | 120.4° | 120.0° |
| N10 | C38 | C40 | H65 | 118.6° | 120.0° |
| N10 | C38 | C39 | O8 | 18.6° | 0.0° |
| N10 | C38 | C40 | O9 | 55.8° | 65.0° |
| N10 | C38 | C40 | H66 | 64.4° | 175.0° |
| N10 | C38 | C40 | H67 | 176.0° | 55.0° |
| N10 | C38 | C39 | N11 | 165.1° | 180.0° |
| H64 | N10 | C38 | C39 | 43.6° | 25.0° |
| H64 | N10 | C38 | C40 | 78.4° | 95.0° |
| H64 | N10 | C38 | H65 | 163.5° | 145.0° |
| C39 | C38 | C40 | H65 | 116.3° | 120.1° |
| C38 | C39 | O8 | N11 | 175.7° | 180.0° |
| C39 | C38 | C40 | O9 | 179.2° | 55.0° |
| C39 | C38 | C40 | H66 | 60.7° | 65.0° |
| C39 | C38 | C40 | H67 | 59.0° | 175.0° |
| C38 | C39 | N11 | C41 | 176.3° | 180.0° |
| C38 | C39 | N11 | H69 | 3.7° | 0.0° |
| C39 | C38 | N10 | C33 | 136.4° | 155.0° |
| C40 | C38 | C39 | O8 | 141.7° | 120.0° |
| C38 | C40 | O9 | H66 | 120.2° | 120.0° |
| C38 | C40 | O9 | H67 | 120.2° | 120.0° |
| C38 | C40 | H66 | H67 | 119.5° | 120.0° |
| C38 | C40 | O9 | H68 | 180.0° | 180.0° |
| C40 | C38 | N10 | C33 | 101.6° | 85.0° |
| C40 | C38 | C39 | N11 | 42.0° | 60.0° |
| H65 | C38 | C39 | O8 | 101.9° | 120.0° |
| H65 | C38 | C40 | O9 | 62.8° | 175.1° |
| H65 | C38 | C40 | H66 | 177.0° | 55.0° |
| H65 | C38 | C40 | H67 | 57.3° | 64.9° |
| H65 | C38 | N10 | C33 | 16.5° | 35.0° |
| H65 | C38 | C39 | N11 | 74.4° | 60.0° |
| O8 | C39 | N11 | C41 | 7.6° | 0.0° |
| O8 | C39 | N11 | H69 | 172.4° | 180.0° |
| O9 | C40 | H66 | H67 | 119.5° | 120.0° |
| H66 | C40 | O9 | H68 | 59.8° | 60.0° |
| H67 | C40 | O9 | H68 | 59.8° | 60.0° |
| C41 | N11 | H69 | C39 | 180.0° | 180.0° |
| N11 | C41 | C42 | C44 | 121.8° | 120.0° |
| N11 | C41 | C42 | H70 | 121.6° | 120.1° |
| N11 | C41 | C44 | H70 | 120.6° | 120.0° |
| N11 | C41 | C42 | C43 | 53.0° | 4.8° |
| N11 | C41 | C42 | O10 | 68.8° | 115.2° |
| N11 | C41 | C42 | H71 | 170.9° | 124.8° |
| N11 | C41 | C44 | O11 | 159.2° | 134.9° |
| N11 | C41 | C44 | N12 | 22.7° | 45.0° |
| H69 | N11 | C41 | C42 | 32.9° | 55.5° |
| H69 | N11 | C41 | C44 | 86.0° | 64.3° |
| H69 | N11 | C41 | H70 | 153.8° | 175.6° |
| C42 | C41 | C44 | H70 | 116.3° | 120.0° |
| C41 | C42 | C43 | O10 | 122.8° | 119.8° |
| C41 | C42 | C43 | H71 | 117.7° | 120.1° |
| C41 | C42 | O10 | H71 | 119.4° | 120.0° |
| C41 | C42 | C43 | H72 | 180.0° | 54.8° |
| C41 | C42 | C43 | H73 | 60.0° | 174.9° |
| C41 | C42 | C43 | H74 | 60.0° | 65.1° |
| C42 | C41 | C44 | O11 | 77.7° | 14.9° |
| C42 | C41 | N11 | C39 | 147.1° | 124.5° |
| C42 | C41 | C44 | N12 | 100.4° | 165.0° |
| C41 | C42 | O10 | C55 | 165.2° | 115.4° |
| C44 | C41 | C42 | C43 | 174.8° | 124.8° |
| C44 | C41 | C42 | O10 | 53.0° | 4.8° |
| C44 | C41 | C42 | H71 | 67.3° | 115.2° |
| C41 | C44 | O11 | N12 | 178.0° | 180.0° |
| C41 | C44 | N12 | C45 | 177.2° | 180.0° |
| C41 | C44 | N12 | H75 | 2.7° | 0.1° |
| C44 | C41 | N11 | C39 | 94.0° | 115.6° |
| H70 | C41 | C42 | C43 | 68.6° | 115.3° |
| H70 | C41 | C42 | O10 | 169.6° | 124.8° |
| H70 | C41 | C42 | H71 | 49.3° | 4.7° |
| H70 | C41 | C44 | O11 | 38.6° | 105.0° |
| H70 | C41 | N11 | C39 | 26.2° | 4.4° |
| H70 | C41 | C44 | N12 | 143.3° | 75.0° |
| C43 | C42 | O10 | H71 | 118.9° | 120.1° |
| C42 | C43 | H72 | H73 | 120.0° | 120.0° |
| C42 | C43 | H72 | H74 | 120.0° | 119.9° |
| C42 | C43 | H73 | H74 | 120.0° | 120.0° |
| C43 | C42 | O10 | C55 | 73.2° | 124.7° |
| O10 | C42 | C43 | H72 | 57.2° | 174.7° |
| O10 | C42 | C43 | H73 | 62.8° | 65.3° |
| O10 | C42 | C43 | H74 | 177.2° | 54.7° |
| C42 | O10 | C55 | C54 | 179.4° | 178.5° |
| C42 | O10 | C55 | O14 | 1.7° | 1.5° |
| H71 | C42 | C43 | H72 | 62.3° | 65.2° |
| H71 | C42 | C43 | H73 | 177.7° | 54.8° |
| H71 | C42 | C43 | H74 | 57.7° | 174.8° |
| H71 | C42 | O10 | C55 | 45.7° | 4.7° |
| H72 | C43 | H73 | H74 | 120.0° | 120.0° |
| O11 | C44 | N12 | C45 | 0.8° | 0.0° |
| O11 | C44 | N12 | H75 | 179.2° | 180.0° |
| C45 | N12 | H75 | C44 | 180.0° | 179.9° |
| N12 | C45 | C46 | C47 | 121.7° | 119.7° |
| N12 | C45 | C46 | H76 | 119.7° | 119.7° |
| N12 | C45 | C47 | H76 | 118.8° | 120.6° |
| N12 | C45 | C46 | O12 | 112.1° | 44.3° |
| N12 | C45 | C47 | H77 | 180.0° | 60.0° |
| N12 | C45 | C47 | H78 | 60.0° | 180.0° |
| N12 | C45 | C47 | H79 | 60.0° | 60.0° |
| N12 | C45 | C46 | N13 | 69.8° | 135.7° |
| H75 | N12 | C45 | C46 | 90.4° | 175.4° |
| H75 | N12 | C45 | C47 | 31.9° | 64.9° |
| H75 | N12 | C45 | H76 | 150.4° | 55.7° |
| C46 | C45 | C47 | H76 | 118.4° | 120.4° |
| C45 | C46 | O12 | N13 | 178.0° | 180.0° |
| C46 | C45 | C47 | H77 | 57.2° | 59.0° |
| C46 | C45 | C47 | H78 | 177.2° | 61.0° |
| C46 | C45 | C47 | H79 | 62.8° | 179.1° |
| C45 | C46 | N13 | C48 | 177.7° | 178.8° |
| C45 | C46 | N13 | H80 | 2.3° | 1.2° |
| C46 | C45 | N12 | C44 | 89.6° | 4.5° |
| C47 | C45 | C46 | O12 | 126.3° | 164.0° |
| C45 | C47 | H77 | H78 | 120.0° | 120.0° |
| C45 | C47 | H77 | H79 | 120.0° | 120.0° |
| C45 | C47 | H78 | H79 | 120.0° | 120.0° |
| C47 | C45 | N12 | C44 | 148.1° | 115.2° |
| C47 | C45 | C46 | N13 | 51.9° | 15.9° |
| H76 | C45 | C46 | O12 | 7.6° | 75.4° |
| H76 | C45 | C47 | H77 | 61.2° | 179.5° |
| H76 | C45 | C47 | H78 | 58.8° | 59.4° |
| H76 | C45 | C47 | H79 | 178.8° | 60.5° |
| H76 | C45 | N12 | C44 | 29.6° | 124.2° |
| H76 | C45 | C46 | N13 | 170.5° | 104.6° |
| O12 | C46 | N13 | C48 | 4.2° | 1.2° |
| O12 | C46 | N13 | H80 | 175.8° | 178.8° |
| H77 | C47 | H78 | H79 | 120.0° | 120.0° |
| C48 | N13 | H80 | C46 | 180.0° | 180.0° |
| N13 | C48 | C49 | C50 | 121.5° | 119.6° |
| N13 | C48 | C49 | H81 | 119.8° | 119.6° |
| N13 | C48 | C50 | H81 | 121.6° | 120.6° |
| N13 | C48 | C49 | O13 | 143.0° | 79.3° |
| N13 | C48 | C50 | C51 | 35.5° | 63.6° |
| N13 | C48 | C50 | H82 | 85.5° | 56.4° |
| N13 | C48 | C50 | H83 | 156.6° | 176.4° |
| N13 | C48 | C49 | N14 | 37.5° | 100.8° |
| H80 | N13 | C48 | C49 | 100.2° | 119.9° |
| H80 | N13 | C48 | C50 | 19.2° | 0.3° |
| H80 | N13 | C48 | H81 | 140.4° | 120.4° |
| C49 | C48 | C50 | H81 | 118.8° | 120.8° |
| C48 | C49 | O13 | N14 | 179.5° | 179.9° |
| C49 | C48 | C50 | C51 | 155.1° | 177.8° |
| C49 | C48 | C50 | H82 | 34.0° | 62.2° |
| C49 | C48 | C50 | H83 | 83.8° | 57.8° |
| C48 | C49 | N14 | C54 | 179.1° | 178.6° |
| C48 | C49 | N14 | H91 | 0.9° | 1.3° |
| C49 | C48 | N13 | C46 | 79.9° | 60.1° |
| C50 | C48 | C49 | O13 | 95.5° | 40.4° |
| C48 | C50 | C51 | H82 | 121.1° | 120.0° |
| C48 | C50 | C51 | H83 | 121.1° | 120.0° |
| C48 | C50 | H82 | H83 | 116.7° | 120.0° |
| C48 | C50 | C51 | C52 | 33.4° | 175.9° |
| C48 | C50 | C51 | C53 | 90.5° | 64.0° |
| C48 | C50 | C51 | H84 | 150.9° | 55.9° |
| C50 | C48 | N13 | C46 | 160.8° | 179.7° |
| C50 | C48 | C49 | N14 | 84.0° | 139.5° |
| H81 | C48 | C49 | O13 | 23.2° | 161.1° |
| H81 | C48 | C50 | C51 | 86.1° | 57.0° |
| H81 | C48 | C50 | H82 | 152.8° | 177.0° |
| H81 | C48 | C50 | H83 | 35.0° | 63.0° |
| H81 | C48 | N13 | C46 | 39.6° | 59.6° |
| H81 | C48 | C49 | N14 | 157.3° | 18.8° |
| O13 | C49 | N14 | C54 | 1.4° | 1.5° |
| O13 | C49 | N14 | H91 | 178.6° | 178.6° |
| C51 | C50 | H82 | H83 | 116.7° | 120.0° |
| C50 | C51 | C52 | C53 | 125.4° | 120.0° |
| C50 | C51 | C52 | H84 | 117.3° | 120.0° |
| C50 | C51 | C53 | H84 | 118.6° | 120.0° |
| C50 | C51 | C52 | H85 | 180.0° | 175.1° |
| C50 | C51 | C52 | H86 | 60.0° | 65.0° |
| C50 | C51 | C52 | H87 | 60.0° | 55.1° |
| C50 | C51 | C53 | H88 | 180.0° | 60.0° |
| C50 | C51 | C53 | H89 | 60.0° | 180.0° |
| C50 | C51 | C53 | H90 | 60.0° | 60.0° |
| H82 | C50 | C51 | C52 | 154.4° | 55.9° |
| H82 | C50 | C51 | C53 | 30.6° | 176.0° |
| H82 | C50 | C51 | H84 | 88.0° | 64.1° |
| H83 | C50 | C51 | C52 | 87.7° | 64.1° |
| H83 | C50 | C51 | C53 | 148.5° | 56.0° |
| H83 | C50 | C51 | H84 | 29.9° | 175.9° |
| C52 | C51 | C53 | H84 | 117.5° | 120.0° |
| C51 | C52 | H85 | H86 | 120.0° | 120.0° |
| C51 | C52 | H85 | H87 | 120.0° | 120.0° |
| C51 | C52 | H86 | H87 | 120.0° | 120.0° |
| C52 | C51 | C53 | H88 | 56.0° | 180.0° |
| C52 | C51 | C53 | H89 | 64.0° | 60.0° |
| C52 | C51 | C53 | H90 | 176.0° | 60.0° |
| C53 | C51 | C52 | H85 | 54.6° | 55.0° |
| C53 | C51 | C52 | H86 | 174.6° | 175.0° |
| C53 | C51 | C52 | H87 | 65.4° | 65.0° |
| C51 | C53 | H88 | H89 | 120.0° | 120.0° |
| C51 | C53 | H88 | H90 | 120.0° | 120.0° |
| C51 | C53 | H89 | H90 | 120.0° | 119.9° |
| H84 | C51 | C52 | H85 | 62.7° | 65.0° |
| H84 | C51 | C52 | H86 | 57.3° | 55.0° |
| H84 | C51 | C52 | H87 | 177.3° | 175.0° |
| H84 | C51 | C53 | H88 | 61.4° | 60.0° |
| H84 | C51 | C53 | H89 | 178.6° | 60.0° |
| H84 | C51 | C53 | H90 | 58.6° | 180.0° |
| H85 | C52 | H86 | H87 | 120.0° | 120.0° |
| H88 | C53 | H89 | H90 | 120.0° | 120.1° |
| C54 | N14 | H91 | C49 | 180.0° | 179.9° |
| N14 | C54 | C55 | C56 | 124.7° | 119.7° |
| N14 | C54 | C55 | H92 | 118.0° | 119.7° |
| N14 | C54 | C56 | H92 | 119.6° | 120.5° |
| N14 | C54 | C55 | O14 | 149.4° | 105.9° |
| N14 | C54 | C56 | C57 | 55.1° | 58.9° |
| N14 | C54 | C56 | C58 | 66.2° | 178.9° |
| N14 | C54 | C56 | H93 | 174.6° | 61.0° |
| N14 | C54 | C55 | O10 | 28.4° | 74.0° |
| H91 | N14 | C54 | C55 | 60.1° | 73.0° |
| H91 | N14 | C54 | C56 | 63.6° | 167.3° |
| H91 | N14 | C54 | H92 | 177.5° | 46.7° |
| C55 | C54 | C56 | H92 | 117.6° | 120.5° |
| C54 | C55 | O14 | O10 | 177.6° | 180.0° |
| C55 | C54 | C56 | C57 | 67.8° | 177.9° |
| C55 | C54 | C56 | C58 | 171.0° | 62.1° |
| C55 | C54 | C56 | H93 | 51.8° | 57.9° |
| C55 | C54 | N14 | C49 | 119.9° | 106.9° |
| C56 | C54 | C55 | O14 | 85.9° | 134.4° |
| C54 | C56 | C57 | C58 | 122.0° | 120.0° |
| C54 | C56 | C57 | H93 | 119.4° | 120.0° |
| C54 | C56 | C58 | H93 | 118.9° | 120.0° |
| C54 | C56 | C57 | C59 | 161.8° | 171.0° |
| C54 | C56 | C57 | H94 | 77.5° | 69.0° |
| C54 | C56 | C57 | H95 | 41.2° | 51.0° |
| C54 | C56 | C58 | H96 | 180.0° | 65.1° |
| C54 | C56 | C58 | H97 | 60.0° | 174.9° |
| C54 | C56 | C58 | H98 | 60.0° | 54.9° |
| C56 | C54 | C55 | O10 | 96.3° | 45.7° |
| C56 | C54 | N14 | C49 | 116.4° | 12.8° |
| H92 | C54 | C55 | O14 | 31.5° | 13.8° |
| H92 | C54 | C56 | C57 | 174.7° | 61.5° |
| H92 | C54 | C56 | C58 | 53.4° | 58.5° |
| H92 | C54 | C56 | H93 | 65.8° | 178.5° |
| H92 | C54 | C55 | O10 | 146.3° | 166.3° |
| H92 | C54 | N14 | C49 | 2.5° | 133.3° |
| C57 | C56 | C58 | H93 | 118.6° | 120.0° |
| C56 | C57 | C59 | H94 | 120.6° | 120.0° |
| C56 | C57 | C59 | H95 | 120.6° | 120.0° |
| C56 | C57 | H94 | H95 | 118.0° | 120.0° |
| C57 | C56 | C58 | H96 | 57.5° | 54.9° |
| C57 | C56 | C58 | H97 | 177.5° | 65.1° |
| C57 | C56 | C58 | H98 | 62.5° | 174.9° |
| C56 | C57 | C59 | H99 | 180.0° | 180.0° |
| C56 | C57 | C59 | H100 | 60.0° | 60.1° |
| C56 | C57 | C59 | H101 | 60.0° | 59.9° |
| C58 | C56 | C57 | C59 | 76.2° | 69.0° |
| C58 | C56 | C57 | H94 | 44.5° | 51.0° |
| C58 | C56 | C57 | H95 | 163.2° | 171.0° |
| C56 | C58 | H96 | H97 | 120.0° | 120.0° |
| C56 | C58 | H96 | H98 | 120.0° | 120.0° |
| C56 | C58 | H97 | H98 | 120.0° | 120.0° |
| H93 | C56 | C57 | C59 | 42.5° | 51.0° |
| H93 | C56 | C57 | H94 | 163.1° | 171.0° |
| H93 | C56 | C57 | H95 | 78.2° | 69.0° |
| H93 | C56 | C58 | H96 | 61.1° | 174.9° |
| H93 | C56 | C58 | H97 | 58.9° | 54.9° |
| H93 | C56 | C58 | H98 | 178.9° | 65.1° |
| C59 | C57 | H94 | H95 | 118.0° | 120.0° |
| C57 | C59 | H99 | H100 | 120.0° | 119.9° |
| C57 | C59 | H99 | H101 | 120.0° | 120.0° |
| C57 | C59 | H100 | H101 | 120.0° | 120.0° |
| H94 | C57 | C59 | H99 | 59.4° | 60.0° |
| H94 | C57 | C59 | H100 | 179.4° | 180.0° |
| H94 | C57 | C59 | H101 | 60.6° | 60.0° |
| H95 | C57 | C59 | H99 | 59.4° | 60.0° |
| H95 | C57 | C59 | H100 | 60.6° | 60.0° |
| H95 | C57 | C59 | H101 | 179.3° | 180.0° |
| H96 | C58 | H97 | H98 | 120.0° | 120.0° |
| H99 | C59 | H100 | H101 | 120.0° | 120.1° |
