PRD_002234
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.58Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | doub | 1.33Å | 1.35Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | O1 | doub | 1.22Å | 1.26Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 47.33Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C13 | C15 | sing | 1.53Å | 0.00Å | |
| C6 | H7 | sing | 1.09Å | 0.00Å | |
| C6 | H8 | sing | 1.09Å | 0.00Å | |
| C7 | H9 | sing | 1.09Å | 0.00Å | |
| C7 | H10 | sing | 1.09Å | 0.00Å | |
| C8 | H11 | sing | 1.09Å | 0.00Å | |
| C8 | H12 | sing | 1.09Å | 0.00Å | |
| C9 | H13 | sing | 1.09Å | 0.00Å | |
| C9 | H14 | sing | 1.09Å | 0.00Å | |
| C10 | H15 | sing | 1.09Å | 0.00Å | |
| C10 | H16 | sing | 1.09Å | 0.00Å | |
| C11 | H17 | sing | 1.09Å | 0.00Å | |
| C11 | H18 | sing | 1.09Å | 0.00Å | |
| C12 | H19 | sing | 1.09Å | 0.00Å | |
| C12 | H20 | sing | 1.09Å | 0.00Å | |
| C13 | H21 | sing | 1.09Å | 0.00Å | |
| C14 | H22 | sing | 1.09Å | 0.00Å | |
| C14 | H23 | sing | 1.09Å | 0.00Å | |
| C14 | H24 | sing | 1.09Å | 0.00Å | |
| C15 | H25 | sing | 1.09Å | 0.00Å | |
| C15 | H26 | sing | 1.09Å | 0.00Å | |
| C15 | H27 | sing | 1.09Å | 0.00Å | |
| N1 | C16 | sing | 1.47Å | 1.45Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | O2 | doub | 1.21Å | 1.25Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | O3 | doub | 1.21Å | 1.27Å | |
| C19 | O4 | sing | 1.34Å | 1.24Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| N2 | C20 | sing | 1.47Å | 1.45Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.50Å | 1.54Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | N3 | sing | 1.47Å | 1.39Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| N3 | H37 | sing | 1.01Å | 1.00Å | |
| N3 | H38 | sing | 1.01Å | 1.00Å | |
| C22 | O5 | doub | 1.21Å | 1.24Å | |
| N4 | C23 | sing | 1.46Å | 1.52Å | |
| N4 | C27 | sing | 1.47Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.52Å | 1.48Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.24Å | |
| N5 | C29 | sing | 1.48Å | 1.45Å | |
| N5 | H48 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.26Å | |
| N6 | C31 | sing | 1.48Å | 1.47Å | |
| N6 | H51 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.55Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.24Å | |
| C33 | C34 | sing | 1.51Å | 1.55Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | O9 | doub | 1.21Å | 1.26Å | |
| C34 | O10 | sing | 1.34Å | 1.26Å | |
| O10 | H55 | sing | 0.97Å | 0.95Å | |
| N7 | C35 | sing | 1.48Å | 1.44Å | |
| N7 | H56 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | O11 | doub | 1.21Å | 1.25Å | |
| N8 | C37 | sing | 1.48Å | 1.44Å | |
| N8 | H59 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | O12 | doub | 1.21Å | 1.24Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | O13 | doub | 1.21Å | 1.26Å | |
| C40 | O14 | sing | 1.34Å | 1.26Å | |
| O14 | H63 | sing | 0.97Å | 0.95Å | |
| N9 | C41 | sing | 1.48Å | 1.44Å | |
| N9 | H64 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.50Å | 1.54Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | O15 | doub | 1.21Å | 1.22Å | |
| N10 | C43 | sing | 1.48Å | 1.42Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | C46 | sing | 1.51Å | 1.49Å | |
| C44 | O16 | sing | 1.43Å | 1.43Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | O17 | doub | 1.21Å | 1.21Å | |
| N10 | H67 | sing | 0.97Å | 1.00Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| O16 | H70 | sing | 0.97Å | 0.95Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| N11 | C47 | sing | 1.48Å | 1.46Å | |
| N11 | H74 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.51Å | 1.56Å | |
| C47 | C49 | sing | 1.53Å | 1.55Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C48 | O18 | doub | 1.21Å | 1.21Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | C51 | sing | 1.53Å | 1.52Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C50 | H77 | sing | 1.09Å | 1.10Å | |
| C50 | H78 | sing | 1.09Å | 1.10Å | |
| C51 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C52 | H82 | sing | 1.09Å | 1.10Å | |
| C52 | H83 | sing | 1.09Å | 1.10Å | |
| C52 | H84 | sing | 1.09Å | 1.10Å | |
| N12 | C53 | sing | 1.47Å | 1.46Å | |
| N12 | C57 | sing | 1.47Å | 1.47Å | |
| C53 | C54 | sing | 1.51Å | 1.53Å | |
| C53 | C55 | sing | 1.53Å | 1.55Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | O19 | doub | 1.21Å | 1.23Å | |
| C55 | C56 | sing | 1.54Å | 1.47Å | |
| C55 | H86 | sing | 1.09Å | 1.10Å | |
| C55 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C56 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C57 | H91 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C17 | N2 | sing | 1.35Å | 1.33Å | |
| N3 | C54 | sing | 1.40Å | 1.44Å | |
| C22 | N4 | sing | 1.35Å | 1.35Å | |
| C28 | N5 | sing | 1.37Å | 1.34Å | |
| C30 | N6 | sing | 1.36Å | 1.35Å | |
| C32 | N7 | sing | 1.36Å | 1.32Å | |
| C36 | N8 | sing | 1.36Å | 1.32Å | |
| C38 | N9 | sing | 1.36Å | 1.33Å | |
| C42 | N10 | sing | 1.36Å | 1.33Å | |
| C46 | N11 | sing | 1.37Å | 1.33Å | |
| C48 | N12 | sing | 1.35Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 117.9° | 109.5° |
| C5 | C4 | H3 | 107.3° | 109.5° |
| C5 | C4 | H4 | 107.3° | 109.5° |
| C4 | C5 | H5 | 115.7° | 109.5° |
| C4 | C5 | H6 | 115.7° | 109.5° |
| C4 | C5 | C6 | 82.4° | 109.5° |
| C4 | C3 | C2 | 126.4° | 120.0° |
| C4 | C3 | H2 | 116.8° | 120.0° |
| C3 | C4 | H3 | 107.3° | 109.5° |
| C3 | C4 | H4 | 107.3° | 109.5° |
| C3 | C2 | C1 | 123.3° | 120.0° |
| C3 | C2 | H1 | 118.4° | 120.0° |
| C2 | C3 | H2 | 116.8° | 120.0° |
| C2 | C1 | O1 | 120.7° | 120.0° |
| C1 | C2 | H1 | 118.3° | 120.0° |
| C2 | C1 | N1 | 115.5° | 120.0° |
| O1 | C1 | N1 | 123.8° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H5 | C5 | C6 | 115.7° | 109.4° |
| H6 | C5 | C6 | 115.7° | 109.5° |
| C5 | C6 | C7 | 90.0° | 109.5° |
| C5 | C6 | H7 | 90.0° | 109.4° |
| C5 | C6 | H8 | 90.0° | 109.5° |
| C6 | C7 | C8 | 90.0° | 109.5° |
| C7 | C6 | H7 | 90.0° | 109.5° |
| C7 | C6 | H8 | 90.0° | 109.5° |
| C6 | C7 | H9 | 90.0° | 109.5° |
| C6 | C7 | H10 | 90.0° | 109.5° |
| C7 | C8 | C9 | 90.0° | 109.5° |
| C8 | C7 | H9 | 90.0° | 109.5° |
| C8 | C7 | H10 | 90.0° | 109.5° |
| C7 | C8 | H11 | 90.0° | 109.5° |
| C7 | C8 | H12 | 90.0° | 109.4° |
| C8 | C9 | C10 | 90.0° | 109.5° |
| C9 | C8 | H11 | 90.0° | 109.5° |
| C9 | C8 | H12 | 90.0° | 109.5° |
| C8 | C9 | H13 | 90.0° | 109.5° |
| C8 | C9 | H14 | 90.0° | 109.4° |
| C9 | C10 | C11 | 90.0° | 109.5° |
| C10 | C9 | H13 | 90.0° | 109.5° |
| C10 | C9 | H14 | 90.0° | 109.5° |
| C9 | C10 | H15 | 90.0° | 109.5° |
| C9 | C10 | H16 | 90.0° | 109.5° |
| C10 | C11 | C12 | 90.0° | 109.5° |
| C11 | C10 | H15 | 90.0° | 109.5° |
| C11 | C10 | H16 | 90.0° | 109.4° |
| C10 | C11 | H17 | 90.0° | 109.5° |
| C10 | C11 | H18 | 90.0° | 109.4° |
| C11 | C12 | C13 | 90.0° | 109.5° |
| C12 | C11 | H17 | 90.0° | 109.5° |
| C12 | C11 | H18 | 90.0° | 109.5° |
| C11 | C12 | H19 | 90.0° | 109.5° |
| C11 | C12 | H20 | 90.0° | 109.5° |
| C12 | C13 | C14 | 90.0° | 109.5° |
| C12 | C13 | C15 | 90.0° | 109.5° |
| C13 | C12 | H19 | 90.0° | 109.5° |
| C13 | C12 | H20 | 90.0° | 109.4° |
| C12 | C13 | H21 | 90.0° | 109.5° |
| C14 | C13 | C15 | 90.0° | 109.4° |
| C14 | C13 | H21 | 90.0° | 109.5° |
| C13 | C14 | H22 | 90.0° | 109.5° |
| C13 | C14 | H23 | 90.0° | 109.5° |
| C13 | C14 | H24 | 90.0° | 109.5° |
| C15 | C13 | H21 | 90.0° | 109.5° |
| C13 | C15 | H25 | 90.0° | 109.4° |
| C13 | C15 | H26 | 90.0° | 109.5° |
| C13 | C15 | H27 | 90.0° | 109.5° |
| H7 | C6 | H8 | 90.0° | 109.4° |
| H9 | C7 | H10 | 90.0° | 109.5° |
| H11 | C8 | H12 | 90.0° | 109.5° |
| H13 | C9 | H14 | 90.0° | 109.5° |
| H15 | C10 | H16 | 90.0° | 109.5° |
| H17 | C11 | H18 | 90.0° | 109.5° |
| H19 | C12 | H20 | 90.0° | 109.5° |
| H22 | C14 | H23 | 90.0° | 109.5° |
| H22 | C14 | H24 | 90.0° | 109.5° |
| H23 | C14 | H24 | 90.0° | 109.4° |
| H25 | C15 | H26 | 90.0° | 109.4° |
| H25 | C15 | H27 | 90.0° | 109.5° |
| H26 | C15 | H27 | 90.0° | 109.5° |
| C16 | N1 | H28 | 118.5° | 120.0° |
| N1 | C16 | C17 | 109.0° | 109.4° |
| N1 | C16 | C18 | 110.7° | 109.5° |
| N1 | C16 | H29 | 110.0° | 109.4° |
| C16 | N1 | C1 | 123.1° | 120.0° |
| H28 | N1 | C1 | 118.4° | 120.0° |
| C17 | C16 | C18 | 109.1° | 109.5° |
| C17 | C16 | H29 | 109.0° | 109.5° |
| C16 | C17 | O2 | 120.6° | 120.0° |
| C16 | C17 | N2 | 116.4° | 120.0° |
| C18 | C16 | H29 | 108.9° | 109.5° |
| C16 | C18 | C19 | 113.1° | 109.5° |
| C16 | C18 | H30 | 108.6° | 109.5° |
| C16 | C18 | H31 | 108.6° | 109.5° |
| O2 | C17 | N2 | 122.8° | 119.9° |
| C19 | C18 | H30 | 108.6° | 109.5° |
| C19 | C18 | H31 | 108.5° | 109.5° |
| C18 | C19 | O3 | 118.9° | 120.0° |
| C18 | C19 | O4 | 117.7° | 120.0° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| O3 | C19 | O4 | 123.2° | 120.0° |
| C19 | O4 | H32 | 109.5° | 117.0° |
| C20 | N2 | H33 | 119.3° | 120.0° |
| N2 | C20 | C21 | 109.9° | 109.5° |
| N2 | C20 | C22 | 109.4° | 109.5° |
| N2 | C20 | H34 | 110.0° | 109.4° |
| C20 | N2 | C17 | 121.4° | 120.1° |
| H33 | N2 | C17 | 119.3° | 120.0° |
| C21 | C20 | C22 | 109.7° | 109.6° |
| C21 | C20 | H34 | 109.0° | 109.5° |
| C20 | C21 | N3 | 115.3° | 109.5° |
| C20 | C21 | H35 | 108.0° | 109.5° |
| C20 | C21 | H36 | 108.0° | 109.5° |
| C22 | C20 | H34 | 108.7° | 109.4° |
| C20 | C22 | O5 | 120.1° | 119.3° |
| C20 | C22 | N4 | 117.4° | 121.4° |
| N3 | C21 | H35 | 108.0° | 109.5° |
| N3 | C21 | H36 | 108.0° | 109.5° |
| C21 | N3 | H37 | 105.9° | 109.4° |
| C21 | N3 | H38 | 105.8° | 109.4° |
| C21 | N3 | C54 | 123.5° | 109.8° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| H37 | N3 | H38 | 109.5° | 109.4° |
| H37 | N3 | C54 | 105.9° | 109.4° |
| H38 | N3 | C54 | 105.9° | 109.4° |
| O5 | C22 | N4 | 122.5° | 119.3° |
| C23 | N4 | C27 | 115.0° | 120.2° |
| N4 | C23 | C24 | 111.7° | 109.7° |
| N4 | C23 | H39 | 108.9° | 109.4° |
| N4 | C23 | H40 | 108.9° | 109.4° |
| C23 | N4 | C22 | 124.9° | 120.0° |
| N4 | C27 | C26 | 111.9° | 109.8° |
| N4 | C27 | C28 | 115.7° | 109.4° |
| N4 | C27 | H47 | 104.7° | 108.9° |
| C27 | N4 | C22 | 120.0° | 119.8° |
| C24 | C23 | H39 | 108.9° | 109.4° |
| C24 | C23 | H40 | 108.9° | 109.4° |
| C23 | C24 | C25 | 110.8° | 109.1° |
| C23 | C24 | H41 | 109.2° | 109.5° |
| C23 | C24 | H42 | 109.1° | 109.6° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| C25 | C24 | H41 | 109.1° | 109.5° |
| C25 | C24 | H42 | 109.2° | 109.6° |
| C24 | C25 | C26 | 110.4° | 109.6° |
| C24 | C25 | H43 | 109.3° | 109.4° |
| C24 | C25 | H44 | 109.2° | 109.5° |
| H41 | C24 | H42 | 109.5° | 109.6° |
| C26 | C25 | H43 | 109.3° | 109.4° |
| C26 | C25 | H44 | 109.3° | 109.5° |
| C25 | C26 | C27 | 111.3° | 110.2° |
| C25 | C26 | H45 | 109.0° | 109.3° |
| C25 | C26 | H46 | 109.0° | 109.4° |
| H43 | C25 | H44 | 109.5° | 109.4° |
| C27 | C26 | H45 | 109.0° | 109.3° |
| C27 | C26 | H46 | 109.0° | 109.4° |
| C26 | C27 | C28 | 114.4° | 110.2° |
| C26 | C27 | H47 | 104.4° | 109.5° |
| H45 | C26 | H46 | 109.5° | 109.3° |
| C28 | C27 | H47 | 104.2° | 109.0° |
| C27 | C28 | O6 | 120.9° | 120.9° |
| C27 | C28 | N5 | 116.6° | 118.1° |
| O6 | C28 | N5 | 122.4° | 121.0° |
| C29 | N5 | H48 | 119.2° | 122.1° |
| N5 | C29 | C30 | 114.1° | 108.2° |
| N5 | C29 | H49 | 108.3° | 109.7° |
| N5 | C29 | H50 | 108.3° | 109.7° |
| C29 | N5 | C28 | 121.6° | 115.7° |
| H48 | N5 | C28 | 119.2° | 122.1° |
| C30 | C29 | H49 | 108.3° | 109.7° |
| C30 | C29 | H50 | 108.3° | 109.7° |
| C29 | C30 | O7 | 120.3° | 120.1° |
| C29 | C30 | N6 | 116.5° | 119.7° |
| H49 | C29 | H50 | 109.4° | 109.8° |
| O7 | C30 | N6 | 123.1° | 120.2° |
| C31 | N6 | H51 | 118.9° | 121.6° |
| N6 | C31 | C32 | 111.2° | 109.0° |
| N6 | C31 | C33 | 110.9° | 109.6° |
| N6 | C31 | H52 | 108.8° | 109.5° |
| C31 | N6 | C30 | 122.3° | 116.8° |
| H51 | N6 | C30 | 118.9° | 121.6° |
| C32 | C31 | C33 | 110.2° | 109.6° |
| C32 | C31 | H52 | 107.9° | 109.5° |
| C31 | C32 | O8 | 121.0° | 120.6° |
| C31 | C32 | N7 | 116.0° | 118.7° |
| C33 | C31 | H52 | 107.8° | 109.6° |
| C31 | C33 | C34 | 113.1° | 109.5° |
| C31 | C33 | H53 | 108.6° | 109.5° |
| C31 | C33 | H54 | 108.6° | 109.5° |
| O8 | C32 | N7 | 122.9° | 120.6° |
| C34 | C33 | H53 | 108.6° | 109.5° |
| C34 | C33 | H54 | 108.5° | 109.4° |
| C33 | C34 | O9 | 119.5° | 119.9° |
| C33 | C34 | O10 | 117.6° | 120.0° |
| H53 | C33 | H54 | 109.4° | 109.5° |
| O9 | C34 | O10 | 122.8° | 120.0° |
| C34 | O10 | H55 | 109.5° | 117.0° |
| C35 | N7 | H56 | 119.0° | 122.2° |
| N7 | C35 | C36 | 112.4° | 108.7° |
| N7 | C35 | H57 | 108.7° | 109.6° |
| N7 | C35 | H58 | 108.7° | 109.6° |
| C35 | N7 | C32 | 121.9° | 115.7° |
| H56 | N7 | C32 | 119.0° | 122.2° |
| C36 | C35 | H57 | 108.7° | 109.5° |
| C36 | C35 | H58 | 108.7° | 109.6° |
| C35 | C36 | O11 | 121.3° | 120.4° |
| C35 | C36 | N8 | 115.0° | 119.2° |
| H57 | C35 | H58 | 109.5° | 109.8° |
| O11 | C36 | N8 | 123.5° | 120.4° |
| C37 | N8 | H59 | 118.8° | 121.6° |
| N8 | C37 | C38 | 110.6° | 108.7° |
| N8 | C37 | C39 | 109.2° | 109.6° |
| N8 | C37 | H60 | 110.0° | 109.6° |
| C37 | N8 | C36 | 122.3° | 116.7° |
| H59 | N8 | C36 | 118.8° | 121.7° |
| C38 | C37 | C39 | 109.5° | 109.6° |
| C38 | C37 | H60 | 108.9° | 109.6° |
| C37 | C38 | O12 | 120.7° | 120.5° |
| C37 | C38 | N9 | 116.0° | 119.0° |
| C39 | C37 | H60 | 108.6° | 109.7° |
| C37 | C39 | C40 | 113.0° | 109.5° |
| C37 | C39 | H61 | 108.6° | 109.5° |
| C37 | C39 | H62 | 108.6° | 109.5° |
| O12 | C38 | N9 | 123.0° | 120.5° |
| C40 | C39 | H61 | 108.6° | 109.4° |
| C40 | C39 | H62 | 108.6° | 109.5° |
| C39 | C40 | O13 | 119.0° | 120.0° |
| C39 | C40 | O14 | 117.9° | 120.0° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| O13 | C40 | O14 | 123.1° | 120.0° |
| C40 | O14 | H63 | 109.5° | 117.0° |
| C41 | N9 | H64 | 119.3° | 122.0° |
| N9 | C41 | C42 | 113.9° | 108.4° |
| N9 | C41 | H65 | 108.4° | 109.7° |
| N9 | C41 | H66 | 108.4° | 109.6° |
| C41 | N9 | C38 | 121.5° | 115.9° |
| H64 | N9 | C38 | 119.2° | 122.1° |
| C42 | C41 | H65 | 108.4° | 109.7° |
| C42 | C41 | H66 | 108.4° | 109.7° |
| C41 | C42 | O15 | 121.0° | 120.1° |
| C41 | C42 | N10 | 116.4° | 119.9° |
| H65 | C41 | H66 | 109.5° | 109.7° |
| O15 | C42 | N10 | 122.5° | 120.1° |
| N10 | C43 | C44 | 111.8° | 109.6° |
| N10 | C43 | C46 | 111.7° | 109.2° |
| C43 | N10 | H67 | 119.1° | 122.0° |
| N10 | C43 | H68 | 108.3° | 109.5° |
| C43 | N10 | C42 | 121.8° | 115.9° |
| C44 | C43 | C46 | 110.2° | 109.5° |
| C43 | C44 | O16 | 110.4° | 109.5° |
| C43 | C44 | C45 | 112.5° | 109.5° |
| C44 | C43 | H68 | 107.2° | 109.5° |
| C43 | C44 | H69 | 107.8° | 109.5° |
| C43 | C46 | O17 | 120.3° | 120.4° |
| C46 | C43 | H68 | 107.5° | 109.5° |
| C43 | C46 | N11 | 117.5° | 119.2° |
| O16 | C44 | C45 | 109.6° | 109.5° |
| O16 | C44 | H69 | 109.0° | 109.4° |
| C44 | O16 | H70 | 109.5° | 114.0° |
| C45 | C44 | H69 | 107.5° | 109.5° |
| C44 | C45 | H71 | 109.5° | 109.5° |
| C44 | C45 | H72 | 109.5° | 109.5° |
| C44 | C45 | H73 | 109.5° | 109.5° |
| O17 | C46 | N11 | 122.0° | 120.4° |
| H67 | N10 | C42 | 119.1° | 122.0° |
| H71 | C45 | H72 | 109.5° | 109.5° |
| H71 | C45 | H73 | 109.4° | 109.5° |
| H72 | C45 | H73 | 109.5° | 109.4° |
| C47 | N11 | H74 | 120.1° | 122.1° |
| N11 | C47 | C48 | 108.0° | 109.6° |
| N11 | C47 | C49 | 112.5° | 109.5° |
| N11 | C47 | H75 | 110.4° | 109.4° |
| C47 | N11 | C46 | 119.9° | 115.8° |
| H74 | N11 | C46 | 120.1° | 122.1° |
| C48 | C47 | C49 | 107.7° | 109.5° |
| C48 | C47 | H75 | 109.0° | 109.5° |
| C47 | C48 | O18 | 119.9° | 120.5° |
| C47 | C48 | N12 | 118.0° | 118.9° |
| C49 | C47 | H75 | 109.1° | 109.4° |
| C47 | C49 | C50 | 111.8° | 109.5° |
| C47 | C49 | C51 | 109.4° | 109.5° |
| C47 | C49 | H76 | 108.0° | 109.5° |
| O18 | C48 | N12 | 122.1° | 120.6° |
| C50 | C49 | C51 | 111.1° | 109.4° |
| C50 | C49 | H76 | 108.0° | 109.4° |
| C49 | C50 | C52 | 113.6° | 109.4° |
| C49 | C50 | H77 | 108.4° | 109.5° |
| C49 | C50 | H78 | 108.5° | 109.5° |
| C51 | C49 | H76 | 108.3° | 109.5° |
| C49 | C51 | H79 | 109.5° | 109.4° |
| C49 | C51 | H80 | 109.4° | 109.5° |
| C49 | C51 | H81 | 109.5° | 109.4° |
| C52 | C50 | H77 | 108.4° | 109.5° |
| C52 | C50 | H78 | 108.4° | 109.4° |
| C50 | C52 | H82 | 109.5° | 109.5° |
| C50 | C52 | H83 | 109.4° | 109.4° |
| C50 | C52 | H84 | 109.5° | 109.5° |
| H77 | C50 | H78 | 109.5° | 109.5° |
| H79 | C51 | H80 | 109.4° | 109.5° |
| H79 | C51 | H81 | 109.5° | 109.5° |
| H80 | C51 | H81 | 109.5° | 109.5° |
| H82 | C52 | H83 | 109.5° | 109.5° |
| H82 | C52 | H84 | 109.5° | 109.5° |
| H83 | C52 | H84 | 109.5° | 109.4° |
| C53 | N12 | C57 | 111.8° | 108.9° |
| N12 | C53 | C54 | 111.8° | 110.8° |
| N12 | C53 | C55 | 103.5° | 107.6° |
| N12 | C53 | H85 | 110.9° | 109.2° |
| C53 | N12 | C48 | 117.7° | 125.8° |
| N12 | C57 | C56 | 103.2° | 108.1° |
| N12 | C57 | H90 | 111.0° | 109.7° |
| N12 | C57 | H91 | 111.0° | 109.8° |
| C57 | N12 | C48 | 130.1° | 125.3° |
| C54 | C53 | C55 | 110.8° | 110.0° |
| C54 | C53 | H85 | 110.0° | 109.9° |
| C53 | C54 | O19 | 120.7° | 120.2° |
| C53 | C54 | N3 | 117.3° | 119.6° |
| C55 | C53 | H85 | 109.7° | 109.3° |
| C53 | C55 | C56 | 104.8° | 105.9° |
| C53 | C55 | H86 | 110.6° | 110.2° |
| C53 | C55 | H87 | 110.6° | 110.1° |
| O19 | C54 | N3 | 120.9° | 120.2° |
| C56 | C55 | H86 | 110.6° | 110.2° |
| C56 | C55 | H87 | 110.6° | 110.2° |
| C55 | C56 | C57 | 105.6° | 106.1° |
| C55 | C56 | H88 | 110.4° | 110.1° |
| C55 | C56 | H89 | 110.4° | 110.1° |
| H86 | C55 | H87 | 109.5° | 110.2° |
| C57 | C56 | H88 | 110.4° | 110.1° |
| C57 | C56 | H89 | 110.4° | 110.1° |
| C56 | C57 | H90 | 111.0° | 109.8° |
| C56 | C57 | H91 | 111.0° | 109.8° |
| H88 | C56 | H89 | 109.5° | 110.2° |
| H90 | C57 | H91 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H3 | 121.2° | 120.0° |
| C5 | C4 | C3 | H4 | 121.2° | 120.1° |
| C5 | C4 | C3 | C2 | 120.9° | 125.0° |
| C5 | C4 | C3 | H2 | 59.1° | 55.0° |
| C5 | C4 | H3 | H4 | 116.2° | 120.0° |
| C4 | C5 | H5 | H6 | 133.0° | 120.0° |
| C4 | C5 | H5 | C6 | 94.0° | 120.1° |
| C4 | C5 | H6 | C6 | 94.0° | 120.1° |
| C4 | C5 | C6 | C7 | 90.0° | 180.0° |
| C4 | C5 | C6 | H7 | 90.0° | 60.0° |
| C4 | C5 | C6 | H8 | 90.0° | 59.9° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 166.8° | 180.0° |
| C4 | C3 | C2 | H1 | 13.2° | 0.0° |
| C3 | C4 | H3 | H4 | 116.2° | 120.0° |
| C3 | C4 | C5 | H5 | 39.1° | 60.0° |
| C3 | C4 | C5 | H6 | 91.0° | 59.9° |
| C3 | C4 | C5 | C6 | 154.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 6.3° | 0.1° |
| C2 | C3 | C4 | H3 | 117.9° | 115.0° |
| C2 | C3 | C4 | H4 | 0.3° | 4.9° |
| C3 | C2 | C1 | N1 | 172.0° | 179.7° |
| C2 | C1 | O1 | N1 | 178.2° | 179.8° |
| C1 | C2 | C3 | H2 | 13.2° | 0.0° |
| C2 | C1 | N1 | C16 | 176.1° | 174.7° |
| C2 | C1 | N1 | H28 | 3.9° | 5.3° |
| O1 | C1 | C2 | H1 | 173.7° | 180.0° |
| O1 | C1 | N1 | C16 | 2.1° | 5.1° |
| O1 | C1 | N1 | H28 | 177.9° | 175.0° |
| H1 | C2 | C3 | H2 | 166.8° | 180.0° |
| H1 | C2 | C1 | N1 | 8.0° | 0.2° |
| H2 | C3 | C4 | H3 | 62.1° | 65.0° |
| H2 | C3 | C4 | H4 | 179.7° | 175.1° |
| H3 | C4 | C5 | H5 | 82.2° | 180.0° |
| H3 | C4 | C5 | H6 | 147.8° | 60.1° |
| H3 | C4 | C5 | C6 | 32.8° | 60.0° |
| H4 | C4 | C5 | H5 | 160.3° | 60.1° |
| H4 | C4 | C5 | H6 | 30.2° | 180.0° |
| H4 | C4 | C5 | C6 | 84.8° | 59.9° |
| H5 | C5 | H6 | C6 | 133.0° | 119.9° |
| H5 | C5 | C6 | C7 | 90.0° | 60.0° |
| H5 | C5 | C6 | H7 | 90.0° | 180.0° |
| H5 | C5 | C6 | H8 | 90.0° | 60.1° |
| H6 | C5 | C6 | C7 | 90.0° | 59.9° |
| H6 | C5 | C6 | H7 | 90.0° | 60.1° |
| H6 | C5 | C6 | H8 | 90.0° | NaN° |
| C5 | C6 | C7 | H7 | 90.0° | 120.0° |
| C5 | C6 | C7 | H8 | 90.0° | 120.1° |
| C5 | C6 | C7 | C8 | 90.0° | 180.0° |
| C5 | C6 | H7 | H8 | 90.0° | 119.9° |
| C5 | C6 | C7 | H9 | 90.0° | 60.0° |
| C5 | C6 | C7 | H10 | 90.0° | 60.0° |
| C6 | C7 | C8 | H9 | 90.0° | 120.0° |
| C6 | C7 | C8 | H10 | 90.0° | 120.0° |
| C6 | C7 | C8 | C9 | 90.0° | 180.0° |
| C7 | C6 | H7 | H8 | 90.0° | 120.0° |
| C6 | C7 | H9 | H10 | 90.0° | 120.0° |
| C6 | C7 | C8 | H11 | 90.0° | 60.0° |
| C6 | C7 | C8 | H12 | 90.0° | 60.0° |
| C7 | C8 | C9 | H11 | 90.0° | 120.0° |
| C7 | C8 | C9 | H12 | 90.0° | 120.0° |
| C7 | C8 | C9 | C10 | 90.0° | 180.0° |
| C8 | C7 | C6 | H7 | 90.0° | 60.0° |
| C8 | C7 | C6 | H8 | 90.0° | 60.0° |
| C8 | C7 | H9 | H10 | 90.0° | 120.0° |
| C7 | C8 | H11 | H12 | 90.0° | 119.9° |
| C7 | C8 | C9 | H13 | 90.0° | 59.9° |
| C7 | C8 | C9 | H14 | 90.0° | 60.0° |
| C8 | C9 | C10 | H13 | 90.0° | 120.0° |
| C8 | C9 | C10 | H14 | 90.0° | 120.0° |
| C8 | C9 | C10 | C11 | 90.0° | 180.0° |
| C9 | C8 | C7 | H9 | 90.0° | 59.9° |
| C9 | C8 | C7 | H10 | 90.0° | 60.0° |
| C9 | C8 | H11 | H12 | 90.0° | 120.0° |
| C8 | C9 | H13 | H14 | 90.0° | 119.9° |
| C8 | C9 | C10 | H15 | 90.0° | 60.0° |
| C8 | C9 | C10 | H16 | 90.0° | 60.0° |
| C9 | C10 | C11 | H15 | 90.0° | 120.0° |
| C9 | C10 | C11 | H16 | 90.0° | 120.0° |
| C9 | C10 | C11 | C12 | 90.0° | 180.0° |
| C10 | C9 | C8 | H11 | 90.0° | 60.0° |
| C10 | C9 | C8 | H12 | 90.0° | 60.1° |
| C10 | C9 | H13 | H14 | 90.0° | 120.0° |
| C9 | C10 | H15 | H16 | 90.0° | 120.0° |
| C9 | C10 | C11 | H17 | 90.0° | 60.0° |
| C9 | C10 | C11 | H18 | 90.0° | 60.0° |
| C10 | C11 | C12 | H17 | 90.0° | 120.0° |
| C10 | C11 | C12 | H18 | 90.0° | 120.0° |
| C10 | C11 | C12 | C13 | 90.0° | 180.0° |
| C11 | C10 | C9 | H13 | 90.0° | 60.0° |
| C11 | C10 | C9 | H14 | 90.0° | 60.0° |
| C11 | C10 | H15 | H16 | 90.0° | 120.0° |
| C10 | C11 | H17 | H18 | 90.0° | 120.0° |
| C10 | C11 | C12 | H19 | 90.0° | 60.0° |
| C10 | C11 | C12 | H20 | 90.0° | 60.0° |
| C11 | C12 | C13 | H19 | 90.0° | 120.1° |
| C11 | C12 | C13 | H20 | 90.0° | 120.0° |
| C11 | C12 | C13 | C14 | 90.0° | 65.0° |
| C11 | C12 | C13 | C15 | 90.0° | 175.0° |
| C12 | C11 | C10 | H15 | 90.0° | 60.0° |
| C12 | C11 | C10 | H16 | 90.0° | 60.0° |
| C12 | C11 | H17 | H18 | 90.0° | 120.0° |
| C11 | C12 | H19 | H20 | 90.0° | 120.0° |
| C11 | C12 | C13 | H21 | 90.0° | 55.0° |
| C12 | C13 | C14 | C15 | 90.0° | 120.0° |
| C12 | C13 | C14 | H21 | 90.0° | 120.0° |
| C12 | C13 | C15 | H21 | 90.0° | 120.0° |
| C13 | C12 | C11 | H17 | 90.0° | 60.0° |
| C13 | C12 | C11 | H18 | 90.0° | 60.0° |
| C13 | C12 | H19 | H20 | 90.0° | 119.9° |
| C12 | C13 | C14 | H22 | 90.0° | 60.0° |
| C12 | C13 | C14 | H23 | 90.0° | 180.0° |
| C12 | C13 | C14 | H24 | 90.0° | 60.1° |
| C12 | C13 | C15 | H25 | 90.0° | 60.1° |
| C12 | C13 | C15 | H26 | 90.0° | 180.0° |
| C12 | C13 | C15 | H27 | 90.0° | 60.0° |
| C14 | C13 | C15 | H21 | 90.0° | 120.0° |
| C14 | C13 | C12 | H19 | 90.0° | 55.0° |
| C14 | C13 | C12 | H20 | 90.0° | 175.0° |
| C13 | C14 | H22 | H23 | 90.0° | 120.1° |
| C13 | C14 | H22 | H24 | 90.0° | 120.0° |
| C13 | C14 | H23 | H24 | 90.0° | 120.0° |
| C14 | C13 | C15 | H25 | 90.0° | 180.0° |
| C14 | C13 | C15 | H26 | 90.0° | 60.1° |
| C14 | C13 | C15 | H27 | 90.0° | 60.0° |
| C15 | C13 | C12 | H19 | 90.0° | 64.9° |
| C15 | C13 | C12 | H20 | 90.0° | 55.0° |
| C15 | C13 | C14 | H22 | 90.0° | 60.0° |
| C15 | C13 | C14 | H23 | 90.0° | 60.1° |
| C15 | C13 | C14 | H24 | 90.0° | 180.0° |
| C13 | C15 | H25 | H26 | 90.0° | 119.9° |
| C13 | C15 | H25 | H27 | 90.0° | 120.0° |
| C13 | C15 | H26 | H27 | 90.0° | 120.1° |
| H7 | C6 | C7 | H9 | 90.0° | NaN° |
| H7 | C6 | C7 | H10 | 90.0° | 60.0° |
| H8 | C6 | C7 | H9 | 90.0° | 60.1° |
| H8 | C6 | C7 | H10 | 90.0° | 180.0° |
| H9 | C7 | C8 | H11 | 90.0° | 180.0° |
| H9 | C7 | C8 | H12 | 90.0° | 60.0° |
| H10 | C7 | C8 | H11 | 90.0° | 60.0° |
| H10 | C7 | C8 | H12 | 90.0° | 180.0° |
| H11 | C8 | C9 | H13 | 90.0° | 180.0° |
| H11 | C8 | C9 | H14 | 90.0° | 60.0° |
| H12 | C8 | C9 | H13 | 90.0° | 60.0° |
| H12 | C8 | C9 | H14 | 90.0° | 180.0° |
| H13 | C9 | C10 | H15 | 90.0° | 180.0° |
| H13 | C9 | C10 | H16 | 90.0° | 60.0° |
| H14 | C9 | C10 | H15 | 90.0° | 60.0° |
| H14 | C9 | C10 | H16 | 90.0° | NaN° |
| H15 | C10 | C11 | H17 | 90.0° | 180.0° |
| H15 | C10 | C11 | H18 | 90.0° | 60.0° |
| H16 | C10 | C11 | H17 | 90.0° | 60.0° |
| H16 | C10 | C11 | H18 | 90.0° | 180.0° |
| H17 | C11 | C12 | H19 | 90.0° | 180.0° |
| H17 | C11 | C12 | H20 | 90.0° | 60.0° |
| H18 | C11 | C12 | H19 | 90.0° | 60.0° |
| H18 | C11 | C12 | H20 | 90.0° | 180.0° |
| H19 | C12 | C13 | H21 | 90.0° | 175.0° |
| H20 | C12 | C13 | H21 | 90.0° | 65.0° |
| H21 | C13 | C14 | H22 | 90.0° | 180.0° |
| H21 | C13 | C14 | H23 | 90.0° | 60.0° |
| H21 | C13 | C14 | H24 | 90.0° | 59.9° |
| H21 | C13 | C15 | H25 | 90.0° | 59.9° |
| H21 | C13 | C15 | H26 | 90.0° | 60.0° |
| H21 | C13 | C15 | H27 | 90.0° | 180.0° |
| H22 | C14 | H23 | H24 | 90.0° | 120.0° |
| H25 | C15 | H26 | H27 | 90.0° | 120.0° |
| C16 | N1 | H28 | C1 | 180.0° | 180.0° |
| N1 | C16 | C17 | C18 | 121.0° | 120.0° |
| N1 | C16 | C17 | H29 | 120.2° | 119.9° |
| N1 | C16 | C18 | H29 | 121.1° | 120.0° |
| N1 | C16 | C17 | O2 | 15.1° | 0.0° |
| N1 | C16 | C18 | C19 | 59.5° | 63.0° |
| N1 | C16 | C18 | H30 | 61.1° | 57.0° |
| N1 | C16 | C18 | H31 | 180.0° | 176.9° |
| N1 | C16 | C17 | N2 | 169.0° | 180.0° |
| H28 | N1 | C16 | C17 | 56.7° | 99.0° |
| H28 | N1 | C16 | C18 | 63.3° | 21.1° |
| H28 | N1 | C16 | H29 | 176.2° | 141.1° |
| C17 | C16 | C18 | H29 | 118.9° | 120.0° |
| C16 | C17 | O2 | N2 | 175.6° | 180.0° |
| C17 | C16 | C18 | C19 | 179.5° | 177.0° |
| C17 | C16 | C18 | H30 | 58.9° | 63.0° |
| C17 | C16 | C18 | H31 | 60.0° | 57.0° |
| C16 | C17 | N2 | C20 | 171.8° | 175.4° |
| C16 | C17 | N2 | H33 | 8.1° | 4.6° |
| C17 | C16 | N1 | C1 | 123.3° | 81.0° |
| C18 | C16 | C17 | O2 | 105.9° | 120.0° |
| C16 | C18 | C19 | H30 | 120.5° | 120.0° |
| C16 | C18 | C19 | H31 | 120.5° | 120.1° |
| C16 | C18 | H30 | H31 | 118.4° | 120.0° |
| C16 | C18 | C19 | O3 | 31.2° | 4.7° |
| C16 | C18 | C19 | O4 | 154.0° | 175.3° |
| C18 | C16 | N1 | C1 | 116.7° | 159.0° |
| C18 | C16 | C17 | N2 | 70.0° | 60.0° |
| H29 | C16 | C17 | O2 | 135.3° | 120.0° |
| H29 | C16 | C18 | C19 | 61.6° | 57.0° |
| H29 | C16 | C18 | H30 | 177.8° | 176.9° |
| H29 | C16 | C18 | H31 | 58.9° | 63.1° |
| H29 | C16 | N1 | C1 | 3.8° | 38.9° |
| H29 | C16 | C17 | N2 | 48.8° | 60.0° |
| O2 | C17 | N2 | C20 | 3.9° | 4.6° |
| O2 | C17 | N2 | H33 | 176.1° | 175.4° |
| C19 | C18 | H30 | H31 | 118.3° | 120.0° |
| C18 | C19 | O3 | O4 | 174.5° | 179.9° |
| C18 | C19 | O4 | H32 | 174.5° | 179.9° |
| H30 | C18 | C19 | O3 | 151.8° | 115.3° |
| H30 | C18 | C19 | O4 | 33.4° | 64.7° |
| H31 | C18 | C19 | O3 | 89.3° | 124.7° |
| H31 | C18 | C19 | O4 | 85.5° | 55.2° |
| O3 | C19 | O4 | H32 | 0.0° | 0.0° |
| C20 | N2 | H33 | C17 | 180.0° | 180.0° |
| N2 | C20 | C21 | C22 | 120.4° | 120.0° |
| N2 | C20 | C21 | H34 | 120.6° | 119.9° |
| N2 | C20 | C22 | H34 | 120.2° | 119.9° |
| N2 | C20 | C21 | N3 | 56.0° | 55.0° |
| N2 | C20 | C21 | H35 | 176.8° | 65.0° |
| N2 | C20 | C21 | H36 | 64.9° | 175.0° |
| N2 | C20 | C22 | O5 | 12.1° | 142.5° |
| N2 | C20 | C22 | N4 | 167.7° | 37.5° |
| H33 | N2 | C20 | C21 | 87.3° | 89.4° |
| H33 | N2 | C20 | C22 | 33.3° | 30.7° |
| H33 | N2 | C20 | H34 | 152.7° | 150.6° |
| C21 | C20 | C22 | H34 | 119.1° | 120.1° |
| C20 | C21 | N3 | H35 | 120.8° | 120.0° |
| C20 | C21 | N3 | H36 | 120.9° | 120.0° |
| C20 | C21 | H35 | H36 | 117.3° | 120.0° |
| C20 | C21 | N3 | H37 | 138.2° | 57.1° |
| C20 | C21 | N3 | H38 | 22.0° | 62.7° |
| C21 | C20 | C22 | O5 | 108.6° | 22.5° |
| C21 | C20 | N2 | C17 | 92.7° | 90.6° |
| C20 | C21 | N3 | C54 | 99.9° | 177.2° |
| C21 | C20 | C22 | N4 | 71.6° | 157.6° |
| C22 | C20 | C21 | N3 | 64.4° | 175.0° |
| C22 | C20 | C21 | H35 | 56.4° | 55.0° |
| C22 | C20 | C21 | H36 | 174.7° | 64.9° |
| C20 | C22 | O5 | N4 | 179.8° | 180.0° |
| C20 | C22 | N4 | C23 | 16.2° | 3.7° |
| C20 | C22 | N4 | C27 | 168.5° | 175.3° |
| C22 | C20 | N2 | C17 | 146.7° | 149.3° |
| H34 | C20 | C21 | N3 | 176.6° | 64.9° |
| H34 | C20 | C21 | H35 | 62.5° | 175.1° |
| H34 | C20 | C21 | H36 | 55.8° | 55.1° |
| H34 | C20 | C22 | O5 | 132.3° | 97.6° |
| H34 | C20 | N2 | C17 | 27.3° | 29.4° |
| H34 | C20 | C22 | N4 | 47.5° | 82.4° |
| N3 | C21 | H35 | H36 | 117.4° | 120.0° |
| C21 | N3 | H37 | H38 | 113.7° | 119.9° |
| C21 | N3 | H37 | C54 | 132.6° | 120.3° |
| C21 | N3 | H38 | C54 | 132.6° | 120.3° |
| C21 | N3 | C54 | C53 | 176.8° | 179.1° |
| C21 | N3 | C54 | O19 | 15.1° | 0.9° |
| H35 | C21 | N3 | H37 | 101.0° | 177.1° |
| H35 | C21 | N3 | H38 | 142.8° | 57.3° |
| H35 | C21 | N3 | C54 | 20.9° | 62.8° |
| H36 | C21 | N3 | H37 | 17.3° | 62.9° |
| H36 | C21 | N3 | H38 | 98.9° | 177.3° |
| H36 | C21 | N3 | C54 | 139.2° | 57.2° |
| H37 | N3 | H38 | C54 | 113.7° | 119.8° |
| H37 | N3 | C54 | C53 | 61.3° | 59.0° |
| H37 | N3 | C54 | O19 | 106.8° | 121.0° |
| H38 | N3 | C54 | C53 | 54.9° | 60.8° |
| H38 | N3 | C54 | O19 | 137.0° | 119.2° |
| O5 | C22 | N4 | C23 | 163.6° | 176.3° |
| O5 | C22 | N4 | C27 | 11.7° | 4.7° |
| C23 | N4 | C27 | C22 | 175.7° | 179.0° |
| N4 | C23 | C24 | H39 | 120.3° | 120.1° |
| N4 | C23 | C24 | H40 | 120.3° | 120.0° |
| N4 | C23 | H39 | H40 | 119.0° | 119.9° |
| N4 | C23 | C24 | C25 | 49.2° | 53.5° |
| N4 | C23 | C24 | H41 | 169.4° | 173.3° |
| N4 | C23 | C24 | H42 | 71.0° | 66.4° |
| C23 | N4 | C27 | C26 | 53.9° | 48.7° |
| C23 | N4 | C27 | C28 | 79.5° | 72.4° |
| C23 | N4 | C27 | H47 | 166.4° | 168.6° |
| C27 | N4 | C23 | C24 | 50.4° | 49.9° |
| C27 | N4 | C23 | H39 | 70.0° | 70.2° |
| C27 | N4 | C23 | H40 | 170.7° | 169.9° |
| N4 | C27 | C26 | C25 | 57.2° | 51.6° |
| N4 | C27 | C26 | C28 | 134.1° | 120.6° |
| N4 | C27 | C26 | H47 | 112.7° | 119.5° |
| N4 | C27 | C26 | H45 | 177.4° | 171.7° |
| N4 | C27 | C26 | H46 | 63.1° | 68.7° |
| N4 | C27 | C28 | H47 | 114.4° | 119.0° |
| N4 | C27 | C28 | O6 | 166.2° | 48.2° |
| N4 | C27 | C28 | N5 | 17.2° | 131.9° |
| C24 | C23 | H39 | H40 | 119.0° | 119.9° |
| C23 | C24 | C25 | H41 | 120.2° | 119.8° |
| C23 | C24 | C25 | H42 | 120.2° | 119.9° |
| C23 | C24 | H41 | H42 | 119.4° | 120.2° |
| C23 | C24 | C25 | C26 | 53.6° | 61.6° |
| C23 | C24 | C25 | H43 | 66.6° | 58.4° |
| C23 | C24 | C25 | H44 | 173.7° | 178.4° |
| C24 | C23 | N4 | C22 | 134.1° | 131.1° |
| H39 | C23 | C24 | C25 | 71.1° | 66.6° |
| H39 | C23 | C24 | H41 | 49.1° | 53.2° |
| H39 | C23 | C24 | H42 | 168.7° | 173.5° |
| H39 | C23 | N4 | C22 | 105.5° | 108.8° |
| H40 | C23 | C24 | C25 | 169.5° | 173.5° |
| H40 | C23 | C24 | H41 | 70.3° | 66.6° |
| H40 | C23 | C24 | H42 | 49.3° | 53.6° |
| H40 | C23 | N4 | C22 | 13.8° | 11.1° |
| C25 | C24 | H41 | H42 | 119.4° | 120.2° |
| C24 | C25 | C26 | H43 | 120.2° | 120.0° |
| C24 | C25 | C26 | H44 | 120.1° | 120.1° |
| C24 | C25 | H43 | H44 | 119.6° | 119.9° |
| C24 | C25 | C26 | C27 | 57.3° | 60.9° |
| C24 | C25 | C26 | H45 | 177.6° | 178.9° |
| C24 | C25 | C26 | H46 | 62.9° | 59.3° |
| H41 | C24 | C25 | C26 | 173.8° | 178.6° |
| H41 | C24 | C25 | H43 | 53.6° | 61.4° |
| H41 | C24 | C25 | H44 | 66.1° | 58.5° |
| H42 | C24 | C25 | C26 | 66.6° | 58.3° |
| H42 | C24 | C25 | H43 | 173.2° | 178.3° |
| H42 | C24 | C25 | H44 | 53.5° | 61.7° |
| C26 | C25 | H43 | H44 | 119.6° | 120.0° |
| C25 | C26 | C27 | H45 | 120.3° | 120.2° |
| C25 | C26 | C27 | H46 | 120.3° | 120.2° |
| C25 | C26 | H45 | H46 | 119.2° | 119.7° |
| C25 | C26 | C27 | C28 | 76.9° | 69.0° |
| C25 | C26 | C27 | H47 | 169.8° | 171.1° |
| H43 | C25 | C26 | C27 | 62.8° | 59.1° |
| H43 | C25 | C26 | H45 | 57.4° | 61.1° |
| H43 | C25 | C26 | H46 | 176.9° | 179.3° |
| H44 | C25 | C26 | C27 | 177.4° | 179.0° |
| H44 | C25 | C26 | H45 | 62.3° | 58.9° |
| H44 | C25 | C26 | H46 | 57.2° | 60.7° |
| C27 | C26 | H45 | H46 | 119.2° | 119.7° |
| C26 | C27 | C28 | H47 | 113.3° | 120.2° |
| C26 | C27 | C28 | O6 | 33.9° | 72.6° |
| C26 | C27 | N4 | C22 | 130.3° | 132.3° |
| C26 | C27 | C28 | N5 | 149.5° | 107.2° |
| H45 | C26 | C27 | C28 | 43.3° | 51.1° |
| H45 | C26 | C27 | H47 | 69.9° | 68.8° |
| H46 | C26 | C27 | C28 | 162.8° | 170.7° |
| H46 | C26 | C27 | H47 | 49.6° | 50.8° |
| C27 | C28 | O6 | N5 | 176.4° | 179.9° |
| C27 | C28 | N5 | C29 | 176.8° | 177.1° |
| C27 | C28 | N5 | H48 | 3.2° | 2.8° |
| C28 | C27 | N4 | C22 | 96.2° | 106.6° |
| H47 | C27 | C28 | O6 | 79.4° | 167.1° |
| H47 | C27 | N4 | C22 | 17.9° | 12.4° |
| H47 | C27 | C28 | N5 | 97.2° | 13.0° |
| O6 | C28 | N5 | C29 | 0.3° | 3.1° |
| O6 | C28 | N5 | H48 | 179.7° | 177.1° |
| C29 | N5 | H48 | C28 | 180.0° | 179.9° |
| N5 | C29 | C30 | H49 | 120.7° | 119.7° |
| N5 | C29 | C30 | H50 | 120.7° | 119.6° |
| N5 | C29 | H49 | H50 | 117.9° | 120.6° |
| N5 | C29 | C30 | O7 | 173.9° | 12.6° |
| N5 | C29 | C30 | N6 | 5.7° | 167.3° |
| H48 | N5 | C29 | C30 | 101.5° | 11.8° |
| H48 | N5 | C29 | H49 | 19.2° | 131.5° |
| H48 | N5 | C29 | H50 | 137.8° | 107.8° |
| C30 | C29 | H49 | H50 | 117.8° | 120.6° |
| C29 | C30 | O7 | N6 | 179.6° | 179.9° |
| C29 | C30 | N6 | C31 | 179.7° | 179.3° |
| C29 | C30 | N6 | H51 | 0.3° | 0.7° |
| C30 | C29 | N5 | C28 | 78.5° | 168.1° |
| H49 | C29 | C30 | O7 | 65.3° | 132.3° |
| H49 | C29 | N5 | C28 | 160.8° | 48.4° |
| H49 | C29 | C30 | N6 | 115.0° | 47.6° |
| H50 | C29 | C30 | O7 | 53.2° | 107.0° |
| H50 | C29 | N5 | C28 | 42.2° | 72.3° |
| H50 | C29 | C30 | N6 | 126.4° | 73.0° |
| O7 | C30 | N6 | C31 | 0.7° | 0.7° |
| O7 | C30 | N6 | H51 | 179.4° | 179.3° |
| C31 | N6 | H51 | C30 | 180.0° | 180.0° |
| N6 | C31 | C32 | C33 | 123.3° | 119.9° |
| N6 | C31 | C32 | H52 | 119.2° | 119.8° |
| N6 | C31 | C33 | H52 | 119.0° | 120.2° |
| N6 | C31 | C32 | O8 | 159.3° | 19.2° |
| N6 | C31 | C33 | C34 | 62.7° | 52.4° |
| N6 | C31 | C33 | H53 | 176.7° | 172.5° |
| N6 | C31 | C33 | H54 | 57.8° | 67.5° |
| N6 | C31 | C32 | N7 | 23.2° | 160.8° |
| H51 | N6 | C31 | C32 | 64.6° | 35.5° |
| H51 | N6 | C31 | C33 | 58.4° | 155.4° |
| H51 | N6 | C31 | H52 | 176.7° | 84.4° |
| C32 | C31 | C33 | H52 | 117.5° | 120.2° |
| C31 | C32 | O8 | N7 | 177.3° | 180.0° |
| C32 | C31 | C33 | C34 | 60.8° | 67.1° |
| C32 | C31 | C33 | H53 | 59.7° | 52.9° |
| C32 | C31 | C33 | H54 | 178.6° | 172.9° |
| C31 | C32 | N7 | C35 | 179.9° | 178.9° |
| C31 | C32 | N7 | H56 | 0.1° | 1.1° |
| C32 | C31 | N6 | C30 | 115.4° | 144.5° |
| C33 | C31 | C32 | O8 | 35.9° | 139.1° |
| C31 | C33 | C34 | H53 | 120.6° | 120.0° |
| C31 | C33 | C34 | H54 | 120.6° | 120.0° |
| C31 | C33 | H53 | H54 | 118.3° | 120.0° |
| C31 | C33 | C34 | O9 | 8.9° | 5.8° |
| C31 | C33 | C34 | O10 | 172.1° | 174.2° |
| C33 | C31 | N6 | C30 | 121.7° | 24.6° |
| C33 | C31 | C32 | N7 | 146.6° | 40.9° |
| H52 | C31 | C32 | O8 | 81.5° | 100.7° |
| H52 | C31 | C33 | C34 | 178.3° | 172.6° |
| H52 | C31 | C33 | H53 | 57.7° | 67.3° |
| H52 | C31 | C33 | H54 | 61.2° | 52.7° |
| H52 | C31 | N6 | C30 | 3.3° | 95.6° |
| H52 | C31 | C32 | N7 | 96.0° | 79.3° |
| O8 | C32 | N7 | C35 | 2.5° | 1.1° |
| O8 | C32 | N7 | H56 | 177.5° | 178.9° |
| C34 | C33 | H53 | H54 | 118.3° | 120.0° |
| C33 | C34 | O9 | O10 | 178.9° | 180.0° |
| C33 | C34 | O10 | H55 | 179.0° | 180.0° |
| H53 | C33 | C34 | O9 | 129.5° | 114.2° |
| H53 | C33 | C34 | O10 | 51.5° | 65.8° |
| H54 | C33 | C34 | O9 | 111.7° | 125.8° |
| H54 | C33 | C34 | O10 | 67.3° | 54.2° |
| O9 | C34 | O10 | H55 | 0.0° | 0.1° |
| C35 | N7 | H56 | C32 | 180.0° | 180.0° |
| N7 | C35 | C36 | H57 | 120.4° | 119.7° |
| N7 | C35 | C36 | H58 | 120.4° | 119.8° |
| N7 | C35 | H57 | H58 | 118.6° | 120.4° |
| N7 | C35 | C36 | O11 | 27.9° | 33.8° |
| N7 | C35 | C36 | N8 | 156.5° | 146.2° |
| H56 | N7 | C35 | C36 | 111.1° | 45.7° |
| H56 | N7 | C35 | H57 | 9.3° | 165.4° |
| H56 | N7 | C35 | H58 | 128.4° | 74.1° |
| C36 | C35 | H57 | H58 | 118.7° | 120.4° |
| C35 | C36 | O11 | N8 | 175.2° | 179.9° |
| C35 | C36 | N8 | C37 | 171.6° | 179.3° |
| C35 | C36 | N8 | H59 | 8.4° | 0.7° |
| C36 | C35 | N7 | C32 | 68.9° | 134.4° |
| H57 | C35 | C36 | O11 | 92.5° | 153.5° |
| H57 | C35 | N7 | C32 | 170.7° | 14.7° |
| H57 | C35 | C36 | N8 | 83.1° | 26.5° |
| H58 | C35 | C36 | O11 | 148.3° | 86.0° |
| H58 | C35 | N7 | C32 | 51.6° | 105.8° |
| H58 | C35 | C36 | N8 | 36.1° | 94.0° |
| O11 | C36 | N8 | C37 | 3.8° | 0.6° |
| O11 | C36 | N8 | H59 | 176.2° | 179.3° |
| C37 | N8 | H59 | C36 | 180.0° | 180.0° |
| N8 | C37 | C38 | C39 | 120.4° | 119.7° |
| N8 | C37 | C38 | H60 | 121.0° | 119.8° |
| N8 | C37 | C39 | H60 | 120.0° | 120.4° |
| N8 | C37 | C38 | O12 | 44.8° | 23.9° |
| N8 | C37 | C39 | C40 | 172.2° | 54.2° |
| N8 | C37 | C39 | H61 | 51.7° | 174.2° |
| N8 | C37 | C39 | H62 | 67.3° | 65.8° |
| N8 | C37 | C38 | N9 | 141.7° | 156.1° |
| H59 | N8 | C37 | C38 | 113.1° | 38.5° |
| H59 | N8 | C37 | C39 | 7.4° | 158.2° |
| H59 | N8 | C37 | H60 | 126.6° | 81.3° |
| C38 | C37 | C39 | H60 | 118.8° | 120.4° |
| C37 | C38 | O12 | N9 | 173.0° | 180.0° |
| C38 | C37 | C39 | C40 | 66.6° | 65.0° |
| C38 | C37 | C39 | H61 | 172.9° | 54.9° |
| C38 | C37 | C39 | H62 | 53.9° | 175.0° |
| C37 | C38 | N9 | C41 | 177.3° | 179.1° |
| C37 | C38 | N9 | H64 | 2.7° | 0.8° |
| C38 | C37 | N8 | C36 | 66.9° | 141.5° |
| C39 | C37 | C38 | O12 | 75.6° | 143.6° |
| C37 | C39 | C40 | H61 | 120.5° | 120.0° |
| C37 | C39 | C40 | H62 | 120.5° | 120.0° |
| C37 | C39 | H61 | H62 | 118.4° | 120.0° |
| C37 | C39 | C40 | O13 | 42.4° | 5.7° |
| C37 | C39 | C40 | O14 | 139.1° | 174.2° |
| C39 | C37 | N8 | C36 | 172.5° | 21.7° |
| C39 | C37 | C38 | N9 | 97.9° | 36.4° |
| H60 | C37 | C38 | O12 | 165.8° | 95.9° |
| H60 | C37 | C39 | C40 | 52.2° | 174.6° |
| H60 | C37 | C39 | H61 | 68.3° | 65.4° |
| H60 | C37 | C39 | H62 | 172.7° | 54.6° |
| H60 | C37 | N8 | C36 | 53.4° | 98.7° |
| H60 | C37 | C38 | N9 | 20.8° | 84.1° |
| O12 | C38 | N9 | C41 | 9.4° | 0.9° |
| O12 | C38 | N9 | H64 | 170.7° | 179.2° |
| C40 | C39 | H61 | H62 | 118.4° | 120.0° |
| C39 | C40 | O13 | O14 | 178.5° | 179.9° |
| C39 | C40 | O14 | H63 | 178.5° | 180.0° |
| H61 | C39 | C40 | O13 | 78.2° | 114.3° |
| H61 | C39 | C40 | O14 | 100.4° | 65.8° |
| H62 | C39 | C40 | O13 | 162.9° | 125.8° |
| H62 | C39 | C40 | O14 | 18.6° | 54.2° |
| O13 | C40 | O14 | H63 | 0.0° | 0.0° |
| C41 | N9 | H64 | C38 | 180.0° | 179.9° |
| N9 | C41 | C42 | H65 | 120.7° | 119.8° |
| N9 | C41 | C42 | H66 | 120.6° | 119.7° |
| N9 | C41 | H65 | H66 | 118.0° | 120.5° |
| N9 | C41 | C42 | O15 | 20.3° | 31.9° |
| N9 | C41 | C42 | N10 | 155.6° | 148.1° |
| H64 | N9 | C41 | C42 | 115.2° | 40.3° |
| H64 | N9 | C41 | H65 | 5.4° | 160.0° |
| H64 | N9 | C41 | H66 | 124.1° | 79.4° |
| C42 | C41 | H65 | H66 | 118.0° | 120.6° |
| C41 | C42 | O15 | N10 | 175.6° | 180.0° |
| C41 | C42 | N10 | C43 | 175.8° | 178.3° |
| C41 | C42 | N10 | H67 | 4.2° | 1.7° |
| C42 | C41 | N9 | C38 | 64.7° | 139.6° |
| H65 | C41 | C42 | O15 | 100.4° | 151.6° |
| H65 | C41 | N9 | C38 | 174.6° | 19.9° |
| H65 | C41 | C42 | N10 | 83.7° | 28.4° |
| H66 | C41 | C42 | O15 | 140.9° | 87.8° |
| H66 | C41 | N9 | C38 | 55.9° | 100.6° |
| H66 | C41 | C42 | N10 | 35.0° | 92.2° |
| O15 | C42 | N10 | C43 | 8.3° | 1.6° |
| O15 | C42 | N10 | H67 | 171.6° | 178.3° |
| N10 | C43 | C44 | C46 | 124.9° | 119.8° |
| N10 | C43 | C44 | H68 | 118.5° | 120.1° |
| N10 | C43 | C46 | H68 | 118.6° | 119.9° |
| N10 | C43 | C44 | O16 | 177.7° | 67.4° |
| N10 | C43 | C44 | C45 | 59.6° | 172.6° |
| N10 | C43 | C46 | O17 | 50.2° | 39.8° |
| C43 | N10 | H67 | C42 | 180.0° | 179.9° |
| N10 | C43 | C44 | H69 | 58.8° | 52.6° |
| N10 | C43 | C46 | N11 | 124.9° | 140.2° |
| C44 | C43 | C46 | H68 | 116.5° | 120.1° |
| C43 | C44 | O16 | C45 | 124.4° | 120.1° |
| C43 | C44 | O16 | H69 | 118.3° | 120.0° |
| C43 | C44 | C45 | H69 | 118.5° | 120.0° |
| C44 | C43 | C46 | O17 | 74.7° | 80.2° |
| C44 | C43 | N10 | H67 | 3.0° | 108.0° |
| C43 | C44 | O16 | H70 | 180.0° | 55.1° |
| C43 | C44 | C45 | H71 | 180.0° | 64.5° |
| C43 | C44 | C45 | H72 | 60.0° | 175.5° |
| C43 | C44 | C45 | H73 | 60.0° | 55.5° |
| C44 | C43 | N10 | C42 | 176.9° | 71.9° |
| C44 | C43 | C46 | N11 | 110.2° | 99.7° |
| C46 | C43 | C44 | O16 | 52.8° | 52.4° |
| C46 | C43 | C44 | C45 | 175.6° | 67.6° |
| C43 | C46 | O17 | N11 | 174.9° | 180.0° |
| C46 | C43 | N10 | H67 | 121.0° | 11.9° |
| C46 | C43 | C44 | H69 | 66.1° | 172.4° |
| C43 | C46 | N11 | C47 | 177.4° | 174.9° |
| C43 | C46 | N11 | H74 | 2.6° | 5.0° |
| C46 | C43 | N10 | C42 | 59.1° | 168.1° |
| O16 | C44 | C45 | H69 | 118.2° | 119.9° |
| O16 | C44 | C43 | H68 | 63.8° | 172.6° |
| O16 | C44 | C45 | H71 | 56.8° | 55.6° |
| O16 | C44 | C45 | H72 | 176.8° | 64.4° |
| O16 | C44 | C45 | H73 | 63.2° | 175.6° |
| C45 | C44 | C43 | H68 | 58.9° | 52.5° |
| C45 | C44 | O16 | H70 | 55.6° | 175.2° |
| C44 | C45 | H71 | H72 | 120.0° | 120.0° |
| C44 | C45 | H71 | H73 | 120.0° | 120.0° |
| C44 | C45 | H72 | H73 | 120.0° | 120.0° |
| O17 | C46 | C43 | H68 | 168.8° | 159.7° |
| O17 | C46 | N11 | C47 | 2.3° | 5.1° |
| O17 | C46 | N11 | H74 | 177.7° | 175.0° |
| H67 | N10 | C43 | H68 | 120.8° | 131.9° |
| H68 | C43 | C44 | H69 | 177.2° | 67.5° |
| H68 | C43 | N10 | C42 | 59.1° | 48.2° |
| H68 | C43 | C46 | N11 | 6.3° | 20.3° |
| H69 | C44 | O16 | H70 | 61.7° | 64.8° |
| H69 | C44 | C45 | H71 | 61.5° | 175.5° |
| H69 | C44 | C45 | H72 | 58.5° | 55.5° |
| H69 | C44 | C45 | H73 | 178.5° | 64.5° |
| H71 | C45 | H72 | H73 | 120.0° | 120.0° |
| C47 | N11 | H74 | C46 | 180.0° | 179.9° |
| N11 | C47 | C48 | C49 | 121.7° | 120.1° |
| N11 | C47 | C48 | H75 | 119.9° | 120.0° |
| N11 | C47 | C49 | H75 | 122.9° | 119.9° |
| N11 | C47 | C48 | O18 | 49.0° | 36.9° |
| N11 | C47 | C49 | C50 | 49.1° | 53.2° |
| N11 | C47 | C49 | C51 | 172.7° | 66.8° |
| N11 | C47 | C49 | H76 | 69.6° | 173.2° |
| N11 | C47 | C48 | N12 | 131.6° | 143.1° |
| H74 | N11 | C47 | C48 | 104.9° | 51.0° |
| H74 | N11 | C47 | C49 | 13.8° | 69.1° |
| H74 | N11 | C47 | H75 | 136.0° | 171.0° |
| C48 | C47 | C49 | H75 | 118.3° | 119.9° |
| C47 | C48 | O18 | N12 | 179.3° | 180.0° |
| C48 | C47 | C49 | C50 | 168.0° | 66.9° |
| C48 | C47 | C49 | C51 | 68.4° | 173.1° |
| C48 | C47 | C49 | H76 | 49.3° | 53.0° |
| C47 | C48 | N12 | C53 | 178.6° | 171.5° |
| C47 | C48 | N12 | C57 | 6.7° | 8.9° |
| C48 | C47 | N11 | C46 | 75.1° | 129.1° |
| C49 | C47 | C48 | O18 | 72.7° | 156.9° |
| C47 | C49 | C50 | C51 | 122.6° | 120.0° |
| C47 | C49 | C50 | H76 | 118.7° | 120.0° |
| C47 | C49 | C51 | H76 | 117.5° | 120.0° |
| C47 | C49 | C50 | C52 | 156.9° | 39.4° |
| C47 | C49 | C50 | H77 | 82.5° | 159.4° |
| C47 | C49 | C50 | H78 | 36.2° | 80.5° |
| C47 | C49 | C51 | H79 | 180.0° | 53.7° |
| C47 | C49 | C51 | H80 | 60.0° | 173.7° |
| C47 | C49 | C51 | H81 | 60.0° | 66.3° |
| C49 | C47 | N11 | C46 | 166.2° | 110.9° |
| C49 | C47 | C48 | N12 | 106.7° | 23.1° |
| H75 | C47 | C48 | O18 | 169.0° | 83.1° |
| H75 | C47 | C49 | C50 | 73.7° | 173.1° |
| H75 | C47 | C49 | C51 | 49.8° | 53.1° |
| H75 | C47 | C49 | H76 | 167.5° | 66.9° |
| H75 | C47 | N11 | C46 | 44.0° | 9.1° |
| H75 | C47 | C48 | N12 | 11.7° | 96.9° |
| O18 | C48 | N12 | C53 | 2.0° | 8.5° |
| O18 | C48 | N12 | C57 | 173.9° | 171.1° |
| C50 | C49 | C51 | H76 | 118.5° | 119.9° |
| C49 | C50 | C52 | H77 | 120.6° | 120.0° |
| C49 | C50 | C52 | H78 | 120.6° | 119.9° |
| C49 | C50 | H77 | H78 | 118.2° | 120.0° |
| C50 | C49 | C51 | H79 | 56.0° | 66.3° |
| C50 | C49 | C51 | H80 | 176.0° | 53.7° |
| C50 | C49 | C51 | H81 | 64.0° | 173.7° |
| C49 | C50 | C52 | H82 | 180.0° | 56.3° |
| C49 | C50 | C52 | H83 | 60.0° | 63.7° |
| C49 | C50 | C52 | H84 | 60.0° | 176.4° |
| C51 | C49 | C50 | C52 | 80.5° | 159.4° |
| C51 | C49 | C50 | H77 | 40.1° | 80.6° |
| C51 | C49 | C50 | H78 | 158.8° | 39.5° |
| C49 | C51 | H79 | H80 | 120.0° | 120.0° |
| C49 | C51 | H79 | H81 | 120.0° | 119.9° |
| C49 | C51 | H80 | H81 | 120.0° | 120.0° |
| H76 | C49 | C50 | C52 | 38.2° | 80.6° |
| H76 | C49 | C50 | H77 | 158.7° | 39.4° |
| H76 | C49 | C50 | H78 | 82.5° | 159.5° |
| H76 | C49 | C51 | H79 | 62.5° | 173.7° |
| H76 | C49 | C51 | H80 | 57.5° | 66.2° |
| H76 | C49 | C51 | H81 | 177.5° | 53.8° |
| C52 | C50 | H77 | H78 | 118.1° | 120.0° |
| C50 | C52 | H82 | H83 | 120.0° | 120.0° |
| C50 | C52 | H82 | H84 | 120.0° | 120.0° |
| C50 | C52 | H83 | H84 | 120.0° | 119.9° |
| H77 | C50 | C52 | H82 | 59.4° | 176.3° |
| H77 | C50 | C52 | H83 | 179.4° | 56.3° |
| H77 | C50 | C52 | H84 | 60.6° | 63.6° |
| H78 | C50 | C52 | H82 | 59.4° | 63.6° |
| H78 | C50 | C52 | H83 | 60.6° | 176.4° |
| H78 | C50 | C52 | H84 | 179.4° | 56.5° |
| H79 | C51 | H80 | H81 | 120.0° | 120.1° |
| H82 | C52 | H83 | H84 | 120.0° | 120.1° |
| C53 | N12 | C57 | C48 | 172.3° | 179.7° |
| N12 | C53 | C54 | C55 | 114.9° | 118.9° |
| N12 | C53 | C54 | H85 | 123.6° | 120.8° |
| N12 | C53 | C55 | H85 | 118.4° | 118.5° |
| N12 | C53 | C54 | O19 | 42.7° | 19.7° |
| N12 | C53 | C55 | C56 | 24.3° | 15.0° |
| N12 | C53 | C55 | H86 | 95.0° | 104.2° |
| N12 | C53 | C55 | H87 | 143.5° | 134.1° |
| C53 | N12 | C57 | C56 | 14.5° | 15.8° |
| C53 | N12 | C57 | H90 | 133.5° | 103.8° |
| C53 | N12 | C57 | H91 | 104.5° | 135.5° |
| N12 | C53 | C54 | N3 | 149.2° | 160.3° |
| C57 | N12 | C53 | C54 | 124.9° | 139.6° |
| C57 | N12 | C53 | C55 | 5.5° | 19.3° |
| C57 | N12 | C53 | H85 | 112.1° | 99.2° |
| N12 | C57 | C56 | C55 | 29.9° | 6.0° |
| N12 | C57 | C56 | H90 | 119.0° | 119.6° |
| N12 | C57 | C56 | H91 | 119.0° | 119.7° |
| N12 | C57 | C56 | H88 | 149.3° | 113.1° |
| N12 | C57 | C56 | H89 | 89.5° | 125.2° |
| N12 | C57 | H90 | H91 | 122.9° | 120.7° |
| C54 | C53 | C55 | H85 | 121.6° | 120.7° |
| C53 | C54 | O19 | N3 | 167.7° | 180.0° |
| C54 | C53 | C55 | C56 | 144.3° | 135.8° |
| C54 | C53 | C55 | H86 | 25.0° | 16.6° |
| C54 | C53 | C55 | H87 | 96.5° | 105.1° |
| C54 | C53 | N12 | C48 | 61.8° | 40.1° |
| C55 | C53 | C54 | O19 | 72.2° | 99.2° |
| C53 | C55 | C56 | H86 | 119.3° | 119.2° |
| C53 | C55 | C56 | H87 | 119.3° | 119.1° |
| C53 | C55 | H86 | H87 | 122.2° | 121.7° |
| C53 | C55 | C56 | C57 | 33.8° | 5.4° |
| C53 | C55 | C56 | H88 | 153.1° | 124.5° |
| C53 | C55 | C56 | H89 | 85.6° | 113.8° |
| C55 | C53 | C54 | N3 | 95.9° | 80.8° |
| C55 | C53 | N12 | C48 | 178.9° | 160.4° |
| H85 | C53 | C54 | O19 | 166.3° | 140.4° |
| H85 | C53 | C55 | C56 | 94.1° | 103.5° |
| H85 | C53 | C55 | H86 | 146.6° | 137.3° |
| H85 | C53 | C55 | H87 | 25.1° | 15.6° |
| H85 | C53 | C54 | N3 | 25.6° | 39.5° |
| H85 | C53 | N12 | C48 | 61.3° | 81.1° |
| C56 | C55 | H86 | H87 | 122.2° | 121.8° |
| C55 | C56 | C57 | H88 | 119.4° | 119.2° |
| C55 | C56 | C57 | H89 | 119.4° | 119.2° |
| C55 | C56 | H88 | H89 | 121.8° | 121.7° |
| C55 | C56 | C57 | H90 | 148.9° | 113.6° |
| C55 | C56 | C57 | H91 | 89.1° | 125.7° |
| H86 | C55 | C56 | C57 | 85.5° | 113.8° |
| H86 | C55 | C56 | H88 | 33.9° | 5.3° |
| H86 | C55 | C56 | H89 | 155.1° | 127.0° |
| H87 | C55 | C56 | C57 | 153.0° | 124.5° |
| H87 | C55 | C56 | H88 | 87.6° | 116.4° |
| H87 | C55 | C56 | H89 | 33.6° | 5.3° |
| C57 | C56 | H88 | H89 | 121.8° | 121.6° |
| C56 | C57 | H90 | H91 | 122.9° | 120.7° |
| C56 | C57 | N12 | C48 | 157.8° | 163.9° |
| H88 | C56 | C57 | H90 | 91.7° | 127.3° |
| H88 | C56 | C57 | H91 | 30.3° | 6.6° |
| H89 | C56 | C57 | H90 | 29.5° | 5.6° |
| H89 | C56 | C57 | H91 | 151.5° | 115.1° |
| H90 | C57 | N12 | C48 | 38.8° | 76.5° |
| H91 | C57 | N12 | C48 | 83.2° | 44.2° |
