PRD_000571
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.46Å | 1.45Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.24Å | |
| C7 | O4 | sing | 1.45Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.46Å | 1.50Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.46Å | 1.45Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | O6 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | N5 | sing | 1.47Å | 1.48Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | H36 | sing | 1.01Å | 1.00Å | |
| N5 | H37 | sing | 1.01Å | 1.00Å | |
| N6 | C21 | sing | 1.46Å | 1.47Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.26Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | H42 | sing | 1.08Å | 1.08Å | |
| C26 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C26 | H43 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | H44 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | H45 | sing | 1.08Å | 1.08Å | |
| C29 | H46 | sing | 1.08Å | 1.08Å | |
| N7 | C30 | sing | 1.46Å | 1.48Å | |
| N7 | C34 | sing | 1.46Å | 1.45Å | |
| C30 | C31 | sing | 1.50Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | O8 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.54Å | 1.55Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| N8 | C35 | sing | 1.47Å | 1.46Å | |
| N8 | H54 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.49Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.57Å | |
| C35 | H55 | sing | 1.10Å | 1.10Å | |
| C36 | O9 | doub | 1.21Å | 1.24Å | |
| C37 | O10 | sing | 1.46Å | 1.48Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| N9 | C38 | sing | 1.46Å | 1.46Å | |
| N9 | H58 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | O11 | doub | 1.21Å | 1.25Å | |
| C40 | C41 | sing | 1.50Å | 1.52Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | O12 | doub | 1.21Å | 1.23Å | |
| N10 | C42 | sing | 1.47Å | 1.46Å | |
| N10 | H62 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | C44 | sing | 1.53Å | 1.61Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | O13 | doub | 1.21Å | 1.24Å | |
| C44 | C45 | sing | 1.51Å | 1.58Å | |
| C44 | H64 | sing | 1.09Å | 1.10Å | |
| C44 | H65 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | doub | 1.34Å | 1.43Å | Aromatic |
| C45 | C47 | sing | 1.47Å | 1.48Å | Aromatic |
| C46 | N11 | sing | 1.37Å | 1.37Å | Aromatic |
| C46 | H66 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | doub | 1.41Å | 1.46Å | Aromatic |
| C47 | C49 | sing | 1.40Å | 1.43Å | Aromatic |
| N11 | C48 | sing | 1.38Å | 1.41Å | Aromatic |
| N11 | H67 | sing | 0.97Å | 1.00Å | |
| C48 | C50 | sing | 1.39Å | 1.45Å | Aromatic |
| C49 | C51 | doub | 1.37Å | 1.45Å | Aromatic |
| C49 | H68 | sing | 1.08Å | 1.08Å | |
| C50 | C52 | doub | 1.38Å | 1.44Å | Aromatic |
| C50 | H69 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | sing | 1.39Å | 1.43Å | Aromatic |
| C51 | H70 | sing | 1.08Å | 1.08Å | |
| C52 | H71 | sing | 1.08Å | 1.08Å | |
| N12 | C53 | sing | 1.47Å | 1.48Å | |
| N12 | H72 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.50Å | 1.54Å | |
| C53 | C55 | sing | 1.54Å | 1.55Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | O14 | doub | 1.21Å | 1.23Å | |
| C55 | C56 | sing | 1.51Å | 1.54Å | |
| C55 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C56 | O15 | doub | 1.21Å | 1.19Å | |
| N13 | C57 | sing | 1.46Å | 1.47Å | |
| N13 | H76 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.57Å | |
| C57 | C59 | sing | 1.53Å | 1.56Å | |
| C57 | H77 | sing | 1.09Å | 1.10Å | |
| C58 | O16 | doub | 1.21Å | 1.25Å | |
| C58 | O18 | sing | 1.34Å | 1.25Å | |
| C59 | C60 | sing | 1.50Å | 1.55Å | |
| C59 | H78 | sing | 1.09Å | 1.10Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C60 | O17 | doub | 1.21Å | 1.24Å | |
| O18 | H80 | sing | 0.97Å | 0.95Å | |
| O4 | C41 | sing | 1.34Å | 1.34Å | |
| O10 | C56 | sing | 1.34Å | 1.32Å | |
| C60 | N5 | sing | 1.40Å | 1.33Å | |
| N13 | C54 | sing | 1.35Å | 1.31Å | |
| C2 | N2 | sing | 1.35Å | 1.38Å | |
| C6 | N3 | sing | 1.35Å | 1.35Å | |
| C10 | N4 | sing | 1.35Å | 1.33Å | |
| C16 | N6 | sing | 1.35Å | 1.37Å | |
| C22 | N7 | sing | 1.35Å | 1.39Å | |
| C31 | N8 | sing | 1.35Å | 1.34Å | |
| C36 | N9 | sing | 1.32Å | 1.35Å | |
| C39 | N10 | sing | 1.35Å | 1.28Å | |
| C43 | N12 | sing | 1.35Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 110.9° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 109.3° | 109.5° |
| N1 | C1 | C3 | 109.4° | 109.4° |
| N1 | C1 | H3 | 109.7° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 110.0° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | O1 | 117.5° | 120.0° |
| C1 | C2 | N2 | 115.9° | 119.9° |
| C3 | C1 | H3 | 108.9° | 109.5° |
| C1 | C3 | O2 | 108.1° | 109.5° |
| C1 | C3 | C4 | 110.7° | 109.5° |
| C1 | C3 | H4 | 108.8° | 109.5° |
| O1 | C2 | N2 | 126.5° | 120.0° |
| O2 | C3 | C4 | 110.4° | 109.4° |
| O2 | C3 | H4 | 110.3° | 109.5° |
| C3 | O2 | H5 | 109.5° | 114.0° |
| C4 | C3 | H4 | 108.4° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| C5 | N2 | H9 | 123.8° | 120.0° |
| N2 | C5 | C6 | 111.1° | 109.5° |
| N2 | C5 | C7 | 107.0° | 109.5° |
| N2 | C5 | H10 | 109.8° | 109.5° |
| C5 | N2 | C2 | 112.4° | 119.9° |
| H9 | N2 | C2 | 123.8° | 120.0° |
| C6 | C5 | C7 | 110.9° | 109.3° |
| C6 | C5 | H10 | 109.1° | 109.5° |
| C5 | C6 | O3 | 119.8° | 120.2° |
| C5 | C6 | N3 | 114.8° | 119.7° |
| C7 | C5 | H10 | 108.9° | 109.5° |
| C5 | C7 | O4 | 112.2° | 109.2° |
| C5 | C7 | C8 | 109.2° | 109.5° |
| C5 | C7 | H11 | 108.4° | 109.5° |
| O3 | C6 | N3 | 125.0° | 120.1° |
| O4 | C7 | C8 | 110.0° | 109.5° |
| O4 | C7 | H11 | 108.8° | 109.5° |
| C7 | O4 | C41 | 121.0° | 116.8° |
| C8 | C7 | H11 | 108.2° | 109.6° |
| C7 | C8 | H12 | 109.5° | 109.6° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| C9 | N3 | H15 | 122.8° | 119.9° |
| N3 | C9 | C10 | 116.0° | 109.9° |
| N3 | C9 | C11 | 111.2° | 109.4° |
| N3 | C9 | H16 | 107.2° | 109.4° |
| C9 | N3 | C6 | 114.4° | 120.3° |
| H15 | N3 | C6 | 122.8° | 119.9° |
| C10 | C9 | C11 | 108.6° | 109.5° |
| C10 | C9 | H16 | 106.9° | 109.4° |
| C9 | C10 | O5 | 121.8° | 120.0° |
| C9 | C10 | N4 | 112.8° | 120.1° |
| C11 | C9 | H16 | 106.5° | 109.3° |
| C9 | C11 | C12 | 117.2° | 109.5° |
| C9 | C11 | H17 | 107.5° | 109.5° |
| C9 | C11 | H18 | 107.5° | 109.5° |
| O5 | C10 | N4 | 125.4° | 119.9° |
| C12 | C11 | H17 | 107.5° | 109.5° |
| C12 | C11 | H18 | 107.5° | 109.5° |
| C11 | C12 | C13 | 108.9° | 109.5° |
| C11 | C12 | C14 | 111.6° | 109.5° |
| C11 | C12 | H19 | 108.4° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C13 | C12 | C14 | 111.1° | 109.5° |
| C13 | C12 | H19 | 108.5° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C14 | C12 | H19 | 108.3° | 109.4° |
| C12 | C14 | H23 | 109.5° | 109.4° |
| C12 | C14 | H24 | 109.5° | 109.5° |
| C12 | C14 | H25 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.4° | 109.5° |
| H23 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.5° |
| C15 | N4 | H26 | 120.7° | 120.1° |
| N4 | C15 | C16 | 105.6° | 109.3° |
| N4 | C15 | C17 | 109.4° | 109.3° |
| N4 | C15 | H27 | 110.9° | 109.7° |
| C15 | N4 | C10 | 118.5° | 119.8° |
| H26 | N4 | C10 | 120.7° | 120.1° |
| C16 | C15 | C17 | 110.9° | 109.4° |
| C16 | C15 | H27 | 109.8° | 110.0° |
| C15 | C16 | O6 | 119.0° | 120.2° |
| C15 | C16 | N6 | 115.7° | 119.6° |
| C17 | C15 | H27 | 110.1° | 109.2° |
| C15 | C17 | C18 | 114.3° | 109.3° |
| C15 | C17 | H28 | 108.3° | 109.5° |
| C15 | C17 | H29 | 108.2° | 109.5° |
| O6 | C16 | N6 | 125.3° | 120.2° |
| C18 | C17 | H28 | 108.2° | 109.5° |
| C18 | C17 | H29 | 108.3° | 109.5° |
| C17 | C18 | C19 | 109.1° | 109.5° |
| C17 | C18 | H30 | 109.6° | 109.4° |
| C17 | C18 | H31 | 109.6° | 109.4° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| C19 | C18 | H30 | 109.6° | 109.5° |
| C19 | C18 | H31 | 109.6° | 109.5° |
| C18 | C19 | C20 | 113.8° | 109.3° |
| C18 | C19 | H32 | 108.4° | 109.5° |
| C18 | C19 | H33 | 108.4° | 109.6° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| C20 | C19 | H32 | 108.4° | 109.5° |
| C20 | C19 | H33 | 108.4° | 109.5° |
| C19 | C20 | N5 | 116.0° | 109.5° |
| C19 | C20 | H34 | 107.8° | 109.5° |
| C19 | C20 | H35 | 107.8° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| N5 | C20 | H34 | 107.8° | 109.5° |
| N5 | C20 | H35 | 107.8° | 109.4° |
| C20 | N5 | H36 | 106.5° | 109.5° |
| C20 | N5 | H37 | 106.5° | 109.4° |
| C20 | N5 | C60 | 121.0° | 109.4° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| H36 | N5 | H37 | 109.5° | 109.5° |
| H36 | N5 | C60 | 106.5° | 109.5° |
| H37 | N5 | C60 | 106.5° | 109.6° |
| C21 | N6 | H38 | 121.0° | 119.9° |
| N6 | C21 | C22 | 110.9° | 110.0° |
| N6 | C21 | C23 | 109.2° | 109.4° |
| N6 | C21 | H39 | 110.2° | 109.4° |
| C21 | N6 | C16 | 118.0° | 120.2° |
| H38 | N6 | C16 | 121.0° | 119.9° |
| C22 | C21 | C23 | 108.5° | 109.3° |
| C22 | C21 | H39 | 109.1° | 109.3° |
| C21 | C22 | O7 | 117.5° | 119.9° |
| C21 | C22 | N7 | 118.9° | 120.1° |
| C23 | C21 | H39 | 109.0° | 109.3° |
| C21 | C23 | C24 | 110.0° | 109.4° |
| C21 | C23 | H40 | 109.3° | 109.5° |
| C21 | C23 | H41 | 109.3° | 109.5° |
| O7 | C22 | N7 | 122.6° | 120.0° |
| C24 | C23 | H40 | 109.3° | 109.4° |
| C24 | C23 | H41 | 109.3° | 109.5° |
| C23 | C24 | C25 | 118.7° | 120.0° |
| C23 | C24 | C26 | 120.4° | 120.0° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| C25 | C24 | C26 | 120.9° | 120.0° |
| C24 | C25 | C27 | 119.2° | 120.0° |
| C24 | C25 | H42 | 120.4° | 119.9° |
| C24 | C26 | C28 | 119.3° | 120.0° |
| C24 | C26 | H43 | 120.4° | 120.0° |
| C27 | C25 | H42 | 120.4° | 120.1° |
| C25 | C27 | C29 | 119.9° | 120.0° |
| C25 | C27 | H44 | 120.1° | 120.0° |
| C28 | C26 | H43 | 120.3° | 120.0° |
| C26 | C28 | C29 | 119.6° | 120.0° |
| C26 | C28 | H45 | 120.2° | 120.0° |
| C29 | C27 | H44 | 120.0° | 120.1° |
| C27 | C29 | C28 | 121.1° | 120.0° |
| C27 | C29 | H46 | 119.4° | 120.0° |
| C29 | C28 | H45 | 120.2° | 120.0° |
| C28 | C29 | H46 | 119.4° | 120.0° |
| C30 | N7 | C34 | 113.0° | 109.5° |
| N7 | C30 | C31 | 118.2° | 110.6° |
| N7 | C30 | C32 | 104.7° | 108.2° |
| N7 | C30 | H47 | 107.2° | 109.6° |
| C30 | N7 | C22 | 127.7° | 125.4° |
| N7 | C34 | C33 | 107.6° | 108.6° |
| N7 | C34 | H52 | 109.9° | 109.6° |
| N7 | C34 | H53 | 109.9° | 109.7° |
| C34 | N7 | C22 | 119.2° | 125.1° |
| C31 | C30 | C32 | 112.7° | 109.5° |
| C31 | C30 | H47 | 106.8° | 109.7° |
| C30 | C31 | O8 | 118.9° | 119.4° |
| C30 | C31 | N8 | 115.4° | 121.1° |
| C32 | C30 | H47 | 106.6° | 109.2° |
| C30 | C32 | C33 | 107.7° | 106.2° |
| C30 | C32 | H48 | 109.9° | 110.1° |
| C30 | C32 | H49 | 109.9° | 110.2° |
| O8 | C31 | N8 | 125.8° | 119.5° |
| C33 | C32 | H48 | 109.9° | 110.1° |
| C33 | C32 | H49 | 109.9° | 110.2° |
| C32 | C33 | C34 | 106.6° | 104.8° |
| C32 | C33 | H50 | 110.2° | 110.4° |
| C32 | C33 | H51 | 110.2° | 110.4° |
| H48 | C32 | H49 | 109.5° | 110.1° |
| C34 | C33 | H50 | 110.2° | 110.4° |
| C34 | C33 | H51 | 110.2° | 110.4° |
| C33 | C34 | H52 | 109.9° | 109.7° |
| C33 | C34 | H53 | 109.9° | 109.7° |
| H50 | C33 | H51 | 109.5° | 110.4° |
| H52 | C34 | H53 | 109.5° | 109.6° |
| C35 | N8 | H54 | 120.6° | 120.3° |
| N8 | C35 | C36 | 107.8° | 111.3° |
| N8 | C35 | C37 | 109.2° | 110.3° |
| N8 | C35 | H55 | 110.9° | 107.5° |
| C35 | N8 | C31 | 118.9° | 119.5° |
| H54 | N8 | C31 | 120.6° | 120.3° |
| C36 | C35 | C37 | 109.3° | 111.6° |
| C36 | C35 | H55 | 110.2° | 108.3° |
| C35 | C36 | O9 | 122.2° | 116.1° |
| C35 | C36 | N9 | 113.8° | 127.8° |
| C37 | C35 | H55 | 109.5° | 107.6° |
| C35 | C37 | O10 | 109.8° | 108.6° |
| C35 | C37 | H56 | 109.4° | 109.6° |
| C35 | C37 | H57 | 109.4° | 109.6° |
| O9 | C36 | N9 | 123.9° | 116.1° |
| O10 | C37 | H56 | 109.4° | 109.6° |
| O10 | C37 | H57 | 109.4° | 109.7° |
| C37 | O10 | C56 | 122.6° | 117.2° |
| H56 | C37 | H57 | 109.4° | 109.8° |
| C38 | N9 | H58 | 121.0° | 116.8° |
| N9 | C38 | C39 | 117.3° | 109.8° |
| N9 | C38 | C40 | 108.2° | 108.9° |
| N9 | C38 | H59 | 107.9° | 110.4° |
| C38 | N9 | C36 | 118.1° | 126.3° |
| H58 | N9 | C36 | 120.9° | 116.9° |
| C39 | C38 | C40 | 108.9° | 108.8° |
| C39 | C38 | H59 | 107.1° | 109.6° |
| C38 | C39 | O11 | 120.7° | 120.1° |
| C38 | C39 | N10 | 116.5° | 119.8° |
| C40 | C38 | H59 | 107.0° | 109.3° |
| C38 | C40 | C41 | 108.2° | 109.9° |
| C38 | C40 | H60 | 109.8° | 109.4° |
| C38 | C40 | H61 | 109.8° | 109.4° |
| O11 | C39 | N10 | 122.7° | 120.1° |
| C41 | C40 | H60 | 109.8° | 109.5° |
| C41 | C40 | H61 | 109.8° | 109.4° |
| C40 | C41 | O12 | 123.2° | 119.8° |
| C40 | C41 | O4 | 115.0° | 120.3° |
| H60 | C40 | H61 | 109.5° | 109.3° |
| O12 | C41 | O4 | 121.9° | 119.8° |
| C42 | N10 | H62 | 107.7° | 119.7° |
| N10 | C42 | C43 | 110.0° | 108.2° |
| N10 | C42 | C44 | 109.7° | 109.7° |
| N10 | C42 | H63 | 109.6° | 109.7° |
| C42 | N10 | C39 | 144.6° | 120.6° |
| H62 | N10 | C39 | 107.7° | 119.7° |
| C43 | C42 | C44 | 110.9° | 109.8° |
| C43 | C42 | H63 | 108.9° | 109.7° |
| C42 | C43 | O13 | 118.3° | 119.8° |
| C42 | C43 | N12 | 116.8° | 120.4° |
| C44 | C42 | H63 | 107.7° | 109.7° |
| C42 | C44 | C45 | 117.8° | 109.5° |
| C42 | C44 | H64 | 107.3° | 109.5° |
| C42 | C44 | H65 | 107.3° | 109.5° |
| O13 | C43 | N12 | 124.8° | 119.8° |
| C45 | C44 | H64 | 107.4° | 109.5° |
| C45 | C44 | H65 | 107.4° | 109.5° |
| C44 | C45 | C46 | 127.5° | 126.5° |
| C44 | C45 | C47 | 129.5° | 126.5° |
| H64 | C44 | H65 | 109.5° | 109.4° |
| C46 | C45 | C47 | 103.0° | 107.0° |
| C45 | C46 | N11 | 113.2° | 110.0° |
| C45 | C46 | H66 | 123.4° | 125.1° |
| C45 | C47 | C48 | 107.9° | 106.1° |
| C45 | C47 | C49 | 133.4° | 134.0° |
| N11 | C46 | H66 | 123.4° | 125.0° |
| C46 | N11 | C48 | 108.7° | 109.8° |
| C46 | N11 | H67 | 125.6° | 125.1° |
| C48 | C47 | C49 | 118.6° | 119.9° |
| C47 | C48 | N11 | 107.2° | 107.2° |
| C47 | C48 | C50 | 120.7° | 119.3° |
| C47 | C49 | C51 | 120.7° | 119.7° |
| C47 | C49 | H68 | 119.6° | 120.2° |
| C48 | N11 | H67 | 125.6° | 125.1° |
| N11 | C48 | C50 | 132.2° | 133.5° |
| C48 | C50 | C52 | 119.8° | 119.8° |
| C48 | C50 | H69 | 120.1° | 120.1° |
| C51 | C49 | H68 | 119.6° | 120.1° |
| C49 | C51 | C52 | 120.8° | 120.5° |
| C49 | C51 | H70 | 119.6° | 119.7° |
| C52 | C50 | H69 | 120.1° | 120.1° |
| C50 | C52 | C51 | 119.4° | 120.7° |
| C50 | C52 | H71 | 120.3° | 119.7° |
| C52 | C51 | H70 | 119.6° | 119.8° |
| C51 | C52 | H71 | 120.3° | 119.6° |
| C53 | N12 | H72 | 121.9° | 120.3° |
| N12 | C53 | C54 | 116.2° | 109.8° |
| N12 | C53 | C55 | 108.7° | 107.7° |
| N12 | C53 | H73 | 107.7° | 110.0° |
| C53 | N12 | C43 | 116.2° | 119.4° |
| H72 | N12 | C43 | 121.9° | 120.3° |
| C54 | C53 | C55 | 110.0° | 109.2° |
| C54 | C53 | H73 | 107.0° | 110.2° |
| C53 | C54 | O14 | 118.6° | 120.0° |
| C53 | C54 | N13 | 117.6° | 120.0° |
| C55 | C53 | H73 | 106.8° | 109.7° |
| C53 | C55 | C56 | 115.3° | 108.3° |
| C53 | C55 | H74 | 108.0° | 109.7° |
| C53 | C55 | H75 | 108.0° | 109.7° |
| O14 | C54 | N13 | 123.8° | 120.0° |
| C56 | C55 | H74 | 108.0° | 109.8° |
| C56 | C55 | H75 | 108.0° | 109.7° |
| C55 | C56 | O15 | 121.6° | 119.8° |
| C55 | C56 | O10 | 116.8° | 120.4° |
| H74 | C55 | H75 | 109.5° | 109.7° |
| O15 | C56 | O10 | 121.6° | 119.8° |
| C57 | N13 | H76 | 121.2° | 120.0° |
| N13 | C57 | C58 | 112.7° | 109.5° |
| N13 | C57 | C59 | 110.6° | 109.4° |
| N13 | C57 | H77 | 108.5° | 109.5° |
| C57 | N13 | C54 | 117.7° | 120.1° |
| H76 | N13 | C54 | 121.1° | 120.0° |
| C58 | C57 | C59 | 110.1° | 109.4° |
| C58 | C57 | H77 | 107.3° | 109.5° |
| C57 | C58 | O16 | 118.5° | 120.0° |
| C57 | C58 | O18 | 118.8° | 120.0° |
| C59 | C57 | H77 | 107.4° | 109.5° |
| C57 | C59 | C60 | 115.6° | 109.3° |
| C57 | C59 | H78 | 107.9° | 109.5° |
| C57 | C59 | H79 | 107.9° | 109.5° |
| O16 | C58 | O18 | 122.6° | 120.0° |
| C58 | O18 | H80 | 109.5° | 117.0° |
| C60 | C59 | H78 | 107.9° | 109.5° |
| C60 | C59 | H79 | 107.9° | 109.5° |
| C59 | C60 | O17 | 123.5° | 120.1° |
| C59 | C60 | N5 | 111.7° | 119.8° |
| H78 | C59 | H79 | 109.5° | 109.5° |
| O17 | C60 | N5 | 124.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 120.2° | 120.0° |
| N1 | C1 | C2 | H3 | 120.2° | 120.0° |
| N1 | C1 | C3 | H3 | 119.9° | 120.0° |
| N1 | C1 | C2 | O1 | 55.3° | 20.0° |
| N1 | C1 | C3 | O2 | 52.9° | 65.0° |
| N1 | C1 | C3 | C4 | 174.0° | 55.0° |
| N1 | C1 | C3 | H4 | 66.9° | 174.9° |
| N1 | C1 | C2 | N2 | 124.6° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C3 | 59.5° | 176.1° |
| H1 | N1 | C1 | H3 | 59.9° | 56.1° |
| H2 | N1 | C1 | C2 | 60.0° | 59.9° |
| H2 | N1 | C1 | C3 | 179.5° | 60.0° |
| H2 | N1 | C1 | H3 | 60.1° | 180.0° |
| C2 | C1 | C3 | H3 | 120.0° | 120.0° |
| C1 | C2 | O1 | N2 | 180.0° | 180.0° |
| C2 | C1 | C3 | O2 | 173.0° | 55.0° |
| C2 | C1 | C3 | C4 | 65.9° | 175.0° |
| C2 | C1 | C3 | H4 | 53.2° | 65.1° |
| C1 | C2 | N2 | C5 | 176.0° | 180.0° |
| C1 | C2 | N2 | H9 | 4.0° | 0.0° |
| C3 | C1 | C2 | O1 | 64.8° | 100.0° |
| C1 | C3 | O2 | C4 | 121.3° | 120.0° |
| C1 | C3 | O2 | H4 | 118.8° | 120.0° |
| C1 | C3 | C4 | H4 | 119.3° | 120.0° |
| C1 | C3 | O2 | H5 | 180.0° | 180.0° |
| C1 | C3 | C4 | H6 | 180.0° | 180.0° |
| C1 | C3 | C4 | H7 | 60.0° | 60.0° |
| C1 | C3 | C4 | H8 | 60.0° | 59.9° |
| C3 | C1 | C2 | N2 | 115.2° | 80.0° |
| H3 | C1 | C2 | O1 | 175.5° | 140.0° |
| H3 | C1 | C3 | O2 | 67.0° | 175.0° |
| H3 | C1 | C3 | C4 | 54.1° | 65.0° |
| H3 | C1 | C3 | H4 | 173.2° | 55.0° |
| H3 | C1 | C2 | N2 | 4.4° | 40.0° |
| O1 | C2 | N2 | C5 | 4.0° | 0.0° |
| O1 | C2 | N2 | H9 | 176.0° | 180.0° |
| O2 | C3 | C4 | H4 | 121.0° | 120.0° |
| O2 | C3 | C4 | H6 | 60.3° | 60.0° |
| O2 | C3 | C4 | H7 | 179.7° | 180.0° |
| O2 | C3 | C4 | H8 | 59.8° | 60.1° |
| C4 | C3 | O2 | H5 | 58.7° | 60.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.1° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| H4 | C3 | O2 | H5 | 61.2° | 59.9° |
| H4 | C3 | C4 | H6 | 60.7° | 60.0° |
| H4 | C3 | C4 | H7 | 59.3° | 60.0° |
| H4 | C3 | C4 | H8 | 179.2° | 179.9° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| C5 | N2 | H9 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | C7 | 118.9° | 119.9° |
| N2 | C5 | C6 | H10 | 121.2° | 120.1° |
| N2 | C5 | C7 | H10 | 118.7° | 120.1° |
| N2 | C5 | C6 | O3 | 3.2° | 39.0° |
| N2 | C5 | C7 | O4 | 40.9° | 8.4° |
| N2 | C5 | C7 | C8 | 81.4° | 111.5° |
| N2 | C5 | C7 | H11 | 161.0° | 128.3° |
| N2 | C5 | C6 | N3 | 169.3° | 141.0° |
| H9 | N2 | C5 | C6 | 93.2° | 95.0° |
| H9 | N2 | C5 | C7 | 28.0° | 24.8° |
| H9 | N2 | C5 | H10 | 146.1° | 144.9° |
| C6 | C5 | C7 | H10 | 120.0° | 119.9° |
| C5 | C6 | O3 | N3 | 171.7° | 180.0° |
| C6 | C5 | C7 | O4 | 80.4° | 111.6° |
| C6 | C5 | C7 | C8 | 157.3° | 128.6° |
| C6 | C5 | C7 | H11 | 39.7° | 8.3° |
| C5 | C6 | N3 | C9 | 166.6° | 179.1° |
| C5 | C6 | N3 | H15 | 13.4° | 1.0° |
| C6 | C5 | N2 | C2 | 86.8° | 85.0° |
| C7 | C5 | C6 | O3 | 115.7° | 158.9° |
| C5 | C7 | O4 | C8 | 121.8° | 119.9° |
| C5 | C7 | O4 | H11 | 119.9° | 119.8° |
| C5 | C7 | C8 | H11 | 117.8° | 120.1° |
| C5 | C7 | C8 | H12 | 180.0° | 45.7° |
| C5 | C7 | C8 | H13 | 60.0° | 165.8° |
| C5 | C7 | C8 | H14 | 60.0° | 74.3° |
| C5 | C7 | O4 | C41 | 89.9° | 102.1° |
| C7 | C5 | N2 | C2 | 152.0° | 155.2° |
| C7 | C5 | C6 | N3 | 71.8° | 21.1° |
| H10 | C5 | C6 | O3 | 124.4° | 81.1° |
| H10 | C5 | C7 | O4 | 159.6° | 128.5° |
| H10 | C5 | C7 | C8 | 37.3° | 8.6° |
| H10 | C5 | C7 | H11 | 80.3° | 111.6° |
| H10 | C5 | N2 | C2 | 33.9° | 35.1° |
| H10 | C5 | C6 | N3 | 48.1° | 98.9° |
| O3 | C6 | N3 | C9 | 5.4° | 0.9° |
| O3 | C6 | N3 | H15 | 174.5° | 179.1° |
| O4 | C7 | C8 | H11 | 118.7° | 120.2° |
| O4 | C7 | C8 | H12 | 56.4° | 73.9° |
| O4 | C7 | C8 | H13 | 176.5° | 46.1° |
| O4 | C7 | C8 | H14 | 63.6° | 166.1° |
| C7 | O4 | C41 | C40 | 178.3° | 175.8° |
| C7 | O4 | C41 | O12 | 1.1° | 4.1° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C8 | C7 | O4 | C41 | 148.3° | 17.8° |
| H11 | C7 | C8 | H12 | 62.2° | 165.9° |
| H11 | C7 | C8 | H13 | 57.8° | 74.1° |
| H11 | C7 | C8 | H14 | 177.8° | 45.9° |
| H11 | C7 | O4 | C41 | 30.0° | 138.1° |
| H12 | C8 | H13 | H14 | 120.0° | 119.9° |
| C9 | N3 | H15 | C6 | 180.0° | 179.9° |
| N3 | C9 | C10 | C11 | 126.0° | 120.1° |
| N3 | C9 | C10 | H16 | 119.4° | 120.1° |
| N3 | C9 | C11 | H16 | 116.4° | 119.7° |
| N3 | C9 | C10 | O5 | 134.4° | 4.5° |
| N3 | C9 | C11 | C12 | 65.7° | 65.0° |
| N3 | C9 | C11 | H17 | 55.4° | 55.0° |
| N3 | C9 | C11 | H18 | 173.2° | 175.0° |
| N3 | C9 | C10 | N4 | 44.3° | 175.4° |
| H15 | N3 | C9 | C10 | 69.9° | 58.3° |
| H15 | N3 | C9 | C11 | 54.8° | 61.9° |
| H15 | N3 | C9 | H16 | 170.8° | 178.4° |
| C10 | C9 | C11 | H16 | 114.9° | 119.8° |
| C9 | C10 | O5 | N4 | 178.6° | 179.9° |
| C10 | C9 | C11 | C12 | 165.6° | 174.6° |
| C10 | C9 | C11 | H17 | 73.3° | 65.4° |
| C10 | C9 | C11 | H18 | 44.4° | 54.6° |
| C9 | C10 | N4 | C15 | 177.9° | 179.8° |
| C9 | C10 | N4 | H26 | 2.1° | 0.3° |
| C10 | C9 | N3 | C6 | 110.1° | 121.6° |
| C11 | C9 | C10 | O5 | 8.4° | 124.6° |
| C9 | C11 | C12 | H17 | 121.1° | 120.0° |
| C9 | C11 | C12 | H18 | 121.1° | 120.0° |
| C9 | C11 | H17 | H18 | 116.4° | 120.0° |
| C9 | C11 | C12 | C13 | 177.8° | 175.0° |
| C9 | C11 | C12 | C14 | 54.8° | 65.0° |
| C9 | C11 | C12 | H19 | 64.3° | 55.0° |
| C11 | C9 | N3 | C6 | 125.2° | 118.2° |
| C11 | C9 | C10 | N4 | 170.4° | 55.3° |
| H16 | C9 | C10 | O5 | 106.2° | 115.6° |
| H16 | C9 | C11 | C12 | 50.7° | 54.7° |
| H16 | C9 | C11 | H17 | 171.8° | 174.8° |
| H16 | C9 | C11 | H18 | 70.4° | 65.3° |
| H16 | C9 | N3 | C6 | 9.2° | 1.5° |
| H16 | C9 | C10 | N4 | 75.1° | 64.5° |
| O5 | C10 | N4 | C15 | 3.5° | 0.1° |
| O5 | C10 | N4 | H26 | 176.5° | 179.8° |
| C12 | C11 | H17 | H18 | 116.5° | 120.0° |
| C11 | C12 | C13 | C14 | 123.3° | 120.1° |
| C11 | C12 | C13 | H19 | 117.8° | 120.0° |
| C11 | C12 | C14 | H19 | 119.2° | 120.0° |
| C11 | C12 | C13 | H20 | 180.0° | 60.0° |
| C11 | C12 | C13 | H21 | 60.0° | 179.9° |
| C11 | C12 | C13 | H22 | 60.0° | 60.0° |
| C11 | C12 | C14 | H23 | 180.0° | 60.0° |
| C11 | C12 | C14 | H24 | 60.0° | 60.0° |
| C11 | C12 | C14 | H25 | 60.0° | 180.0° |
| H17 | C11 | C12 | C13 | 61.1° | 55.0° |
| H17 | C11 | C12 | C14 | 175.9° | 175.0° |
| H17 | C11 | C12 | H19 | 56.8° | 65.0° |
| H18 | C11 | C12 | C13 | 56.7° | 65.0° |
| H18 | C11 | C12 | C14 | 66.3° | 55.0° |
| H18 | C11 | C12 | H19 | 174.6° | 175.0° |
| C13 | C12 | C14 | H19 | 119.0° | 120.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.1° |
| C12 | C13 | H20 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C12 | C14 | H23 | 58.2° | 60.0° |
| C13 | C12 | C14 | H24 | 61.8° | 180.0° |
| C13 | C12 | C14 | H25 | 178.2° | 60.0° |
| C14 | C12 | C13 | H20 | 56.7° | 60.1° |
| C14 | C12 | C13 | H21 | 176.7° | 60.0° |
| C14 | C12 | C13 | H22 | 63.4° | 180.0° |
| C12 | C14 | H23 | H24 | 120.0° | 120.0° |
| C12 | C14 | H23 | H25 | 120.0° | 120.0° |
| C12 | C14 | H24 | H25 | 120.0° | 120.1° |
| H19 | C12 | C13 | H20 | 62.2° | 180.0° |
| H19 | C12 | C13 | H21 | 57.8° | 59.9° |
| H19 | C12 | C13 | H22 | 177.7° | 60.0° |
| H19 | C12 | C14 | H23 | 60.8° | 180.0° |
| H19 | C12 | C14 | H24 | 179.2° | 60.0° |
| H19 | C12 | C14 | H25 | 59.2° | 60.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H23 | C14 | H24 | H25 | 120.0° | 120.0° |
| C15 | N4 | H26 | C10 | 180.0° | 179.9° |
| N4 | C15 | C16 | C17 | 118.4° | 119.6° |
| N4 | C15 | C16 | H27 | 119.7° | 120.5° |
| N4 | C15 | C17 | H27 | 122.1° | 120.0° |
| N4 | C15 | C16 | O6 | 33.4° | 97.6° |
| N4 | C15 | C17 | C18 | 179.6° | 129.6° |
| N4 | C15 | C17 | H28 | 59.8° | 9.6° |
| N4 | C15 | C17 | H29 | 58.9° | 110.5° |
| N4 | C15 | C16 | N6 | 147.8° | 82.5° |
| H26 | N4 | C15 | C16 | 89.1° | 101.9° |
| H26 | N4 | C15 | C17 | 30.3° | 138.4° |
| H26 | N4 | C15 | H27 | 151.9° | 18.7° |
| C16 | C15 | C17 | H27 | 121.8° | 120.4° |
| C15 | C16 | O6 | N6 | 178.7° | 180.0° |
| C16 | C15 | C17 | C18 | 63.5° | 110.8° |
| C16 | C15 | C17 | H28 | 175.9° | 129.2° |
| C16 | C15 | C17 | H29 | 57.2° | 9.1° |
| C15 | C16 | N6 | C21 | 179.4° | 179.7° |
| C15 | C16 | N6 | H38 | 0.7° | 0.4° |
| C16 | C15 | N4 | C10 | 90.9° | 77.9° |
| C17 | C15 | C16 | O6 | 85.0° | 142.9° |
| C15 | C17 | C18 | H28 | 120.7° | 120.0° |
| C15 | C17 | C18 | H29 | 120.7° | 119.9° |
| C15 | C17 | H28 | H29 | 117.8° | 120.1° |
| C15 | C17 | C18 | C19 | 178.6° | 144.1° |
| C15 | C17 | C18 | H30 | 61.5° | 24.1° |
| C15 | C17 | C18 | H31 | 58.6° | 95.9° |
| C17 | C15 | N4 | C10 | 149.7° | 41.7° |
| C17 | C15 | C16 | N6 | 93.8° | 37.1° |
| H27 | C15 | C16 | O6 | 153.1° | 22.9° |
| H27 | C15 | C17 | C18 | 58.3° | 9.6° |
| H27 | C15 | C17 | H28 | 62.4° | 110.4° |
| H27 | C15 | C17 | H29 | 179.0° | 129.5° |
| H27 | C15 | N4 | C10 | 28.1° | 161.4° |
| H27 | C15 | C16 | N6 | 28.1° | 157.1° |
| O6 | C16 | N6 | C21 | 0.7° | 0.4° |
| O6 | C16 | N6 | H38 | 179.4° | 179.6° |
| C18 | C17 | H28 | H29 | 117.8° | 120.1° |
| C17 | C18 | C19 | H30 | 120.0° | 120.0° |
| C17 | C18 | C19 | H31 | 120.0° | 120.0° |
| C17 | C18 | H30 | H31 | 120.2° | 119.9° |
| C17 | C18 | C19 | C20 | 178.3° | 119.2° |
| C17 | C18 | C19 | H32 | 57.7° | 0.8° |
| C17 | C18 | C19 | H33 | 61.0° | 120.8° |
| H28 | C17 | C18 | C19 | 57.9° | 95.9° |
| H28 | C17 | C18 | H30 | 177.8° | 144.1° |
| H28 | C17 | C18 | H31 | 62.1° | 24.1° |
| H29 | C17 | C18 | C19 | 60.7° | 24.2° |
| H29 | C17 | C18 | H30 | 59.2° | 95.8° |
| H29 | C17 | C18 | H31 | 179.3° | 144.2° |
| C19 | C18 | H30 | H31 | 120.1° | 120.0° |
| C18 | C19 | C20 | H32 | 120.7° | 119.9° |
| C18 | C19 | C20 | H33 | 120.6° | 120.0° |
| C18 | C19 | H32 | H33 | 118.0° | 120.1° |
| C18 | C19 | C20 | N5 | 52.3° | 169.3° |
| C18 | C19 | C20 | H34 | 68.7° | 49.3° |
| C18 | C19 | C20 | H35 | 173.2° | 70.7° |
| H30 | C18 | C19 | C20 | 61.7° | 120.8° |
| H30 | C18 | C19 | H32 | 177.6° | 119.2° |
| H30 | C18 | C19 | H33 | 58.9° | 0.9° |
| H31 | C18 | C19 | C20 | 58.4° | 0.8° |
| H31 | C18 | C19 | H32 | 62.3° | 120.8° |
| H31 | C18 | C19 | H33 | 179.0° | 119.2° |
| C20 | C19 | H32 | H33 | 118.0° | 120.1° |
| C19 | C20 | N5 | H34 | 121.0° | 120.0° |
| C19 | C20 | N5 | H35 | 120.9° | 120.0° |
| C19 | C20 | H34 | H35 | 117.0° | 120.0° |
| C19 | C20 | N5 | H36 | 26.2° | 6.5° |
| C19 | C20 | N5 | H37 | 143.0° | 126.5° |
| C19 | C20 | N5 | C60 | 95.4° | 113.5° |
| H32 | C19 | C20 | N5 | 172.9° | 70.7° |
| H32 | C19 | C20 | H34 | 52.0° | 169.2° |
| H32 | C19 | C20 | H35 | 66.1° | 49.2° |
| H33 | C19 | C20 | N5 | 68.4° | 49.3° |
| H33 | C19 | C20 | H34 | 170.7° | 70.7° |
| H33 | C19 | C20 | H35 | 52.6° | 169.3° |
| N5 | C20 | H34 | H35 | 117.0° | 120.0° |
| C20 | N5 | H36 | H37 | 114.8° | 120.0° |
| C20 | N5 | H36 | C60 | 130.4° | 119.9° |
| C20 | N5 | H37 | C60 | 130.4° | 119.9° |
| C20 | N5 | C60 | C59 | 170.7° | 151.6° |
| C20 | N5 | C60 | O17 | 9.2° | 28.5° |
| H34 | C20 | N5 | H36 | 94.7° | 113.5° |
| H34 | C20 | N5 | H37 | 22.1° | 6.5° |
| H34 | C20 | N5 | C60 | 143.7° | 126.5° |
| H35 | C20 | N5 | H36 | 147.2° | 126.5° |
| H35 | C20 | N5 | H37 | 96.0° | 113.5° |
| H35 | C20 | N5 | C60 | 25.6° | 6.5° |
| H36 | N5 | H37 | C60 | 114.8° | 120.1° |
| H36 | N5 | C60 | C59 | 49.1° | 31.6° |
| H36 | N5 | C60 | O17 | 130.7° | 148.5° |
| H37 | N5 | C60 | C59 | 67.8° | 88.5° |
| H37 | N5 | C60 | O17 | 112.4° | 91.4° |
| C21 | N6 | H38 | C16 | 180.0° | 180.0° |
| N6 | C21 | C22 | C23 | 119.9° | 120.2° |
| N6 | C21 | C22 | H39 | 121.5° | 120.2° |
| N6 | C21 | C23 | H39 | 120.3° | 119.8° |
| N6 | C21 | C22 | O7 | 47.7° | 22.8° |
| N6 | C21 | C23 | C24 | 178.2° | 54.3° |
| N6 | C21 | C23 | H40 | 58.1° | 65.7° |
| N6 | C21 | C23 | H41 | 61.7° | 174.3° |
| N6 | C21 | C22 | N7 | 143.4° | 157.2° |
| H38 | N6 | C21 | C22 | 75.9° | 14.5° |
| H38 | N6 | C21 | C23 | 43.6° | 105.7° |
| H38 | N6 | C21 | H39 | 163.2° | 134.6° |
| C22 | C21 | C23 | H39 | 118.7° | 119.6° |
| C21 | C22 | O7 | N7 | 168.4° | 179.9° |
| C22 | C21 | C23 | C24 | 60.9° | 174.9° |
| C22 | C21 | C23 | H40 | 179.1° | 54.9° |
| C22 | C21 | C23 | H41 | 59.2° | 65.1° |
| C21 | C22 | N7 | C30 | 14.3° | 178.7° |
| C21 | C22 | N7 | C34 | 163.5° | 1.4° |
| C22 | C21 | N6 | C16 | 104.1° | 165.5° |
| C23 | C21 | C22 | O7 | 72.2° | 143.1° |
| C21 | C23 | C24 | H40 | 120.1° | 120.0° |
| C21 | C23 | C24 | H41 | 120.1° | 120.0° |
| C21 | C23 | H40 | H41 | 119.7° | 120.1° |
| C21 | C23 | C24 | C25 | 84.5° | 90.0° |
| C21 | C23 | C24 | C26 | 94.5° | 90.3° |
| C23 | C21 | N6 | C16 | 136.4° | 74.3° |
| C23 | C21 | C22 | N7 | 96.7° | 37.0° |
| H39 | C21 | C22 | O7 | 169.2° | 97.3° |
| H39 | C21 | C23 | C24 | 57.8° | 65.5° |
| H39 | C21 | C23 | H40 | 62.2° | 174.6° |
| H39 | C21 | C23 | H41 | 177.9° | 54.5° |
| H39 | C21 | N6 | C16 | 16.7° | 45.4° |
| H39 | C21 | C22 | N7 | 22.0° | 82.6° |
| O7 | C22 | N7 | C30 | 177.4° | 1.3° |
| O7 | C22 | N7 | C34 | 4.8° | 178.7° |
| C24 | C23 | H40 | H41 | 119.8° | 120.0° |
| C23 | C24 | C25 | C26 | 179.0° | 179.6° |
| C23 | C24 | C25 | C27 | 179.2° | 180.0° |
| C23 | C24 | C25 | H42 | 0.7° | 0.1° |
| C23 | C24 | C26 | C28 | 178.9° | 180.0° |
| C23 | C24 | C26 | H43 | 1.1° | 0.1° |
| H40 | C23 | C24 | C25 | 35.6° | 30.0° |
| H40 | C23 | C24 | C26 | 145.4° | 149.7° |
| H41 | C23 | C24 | C25 | 155.4° | 149.9° |
| H41 | C23 | C24 | C26 | 25.6° | 29.7° |
| C24 | C25 | C27 | H42 | 180.0° | 179.9° |
| C25 | C24 | C26 | C28 | 0.1° | 0.4° |
| C25 | C24 | C26 | H43 | 179.9° | 179.7° |
| C24 | C25 | C27 | C29 | 0.4° | 0.1° |
| C24 | C25 | C27 | H44 | 179.6° | 180.0° |
| C26 | C24 | C25 | C27 | 0.2° | 0.4° |
| C26 | C24 | C25 | H42 | 179.7° | 179.7° |
| C24 | C26 | C28 | H43 | 180.0° | 179.9° |
| C24 | C26 | C28 | C29 | 0.3° | 0.1° |
| C24 | C26 | C28 | H45 | 179.6° | 179.9° |
| C25 | C27 | C29 | H44 | 180.0° | 180.0° |
| C25 | C27 | C29 | C28 | 0.2° | 0.2° |
| C25 | C27 | C29 | H46 | 179.9° | 180.0° |
| H42 | C25 | C27 | C29 | 179.6° | 180.0° |
| H42 | C25 | C27 | H44 | 0.4° | 0.0° |
| C26 | C28 | C29 | C27 | 0.2° | 0.2° |
| C26 | C28 | C29 | H45 | 180.0° | 180.0° |
| C26 | C28 | C29 | H46 | 179.8° | 180.0° |
| H43 | C26 | C28 | C29 | 179.7° | 180.0° |
| H43 | C26 | C28 | H45 | 0.3° | 0.0° |
| C27 | C29 | C28 | H46 | 180.0° | 179.8° |
| C27 | C29 | C28 | H45 | 179.8° | 179.8° |
| H44 | C27 | C29 | C28 | 179.8° | 179.7° |
| H44 | C27 | C29 | H46 | 0.2° | 0.0° |
| H45 | C28 | C29 | H46 | 0.2° | 0.0° |
| C30 | N7 | C34 | C22 | 178.1° | 180.0° |
| N7 | C30 | C31 | C32 | 122.5° | 119.2° |
| N7 | C30 | C31 | H47 | 120.8° | 121.0° |
| N7 | C30 | C32 | H47 | 113.4° | 119.2° |
| N7 | C30 | C31 | O8 | 149.9° | 55.4° |
| N7 | C30 | C32 | C33 | 4.7° | 10.6° |
| N7 | C30 | C32 | H48 | 124.4° | 108.5° |
| N7 | C30 | C32 | H49 | 115.1° | 129.9° |
| C30 | N7 | C34 | C33 | 0.7° | 9.9° |
| C30 | N7 | C34 | H52 | 119.0° | 129.7° |
| C30 | N7 | C34 | H53 | 120.4° | 110.0° |
| N7 | C30 | C31 | N8 | 29.2° | 124.6° |
| C34 | N7 | C30 | C31 | 123.9° | 120.6° |
| C34 | N7 | C30 | C32 | 2.6° | 0.6° |
| C34 | N7 | C30 | H47 | 115.6° | 118.4° |
| N7 | C34 | C33 | C32 | 3.6° | 16.1° |
| N7 | C34 | C33 | H52 | 119.7° | 119.8° |
| N7 | C34 | C33 | H53 | 119.7° | 119.8° |
| N7 | C34 | C33 | H50 | 116.0° | 135.0° |
| N7 | C34 | C33 | H51 | 123.1° | 102.7° |
| N7 | C34 | H52 | H53 | 120.8° | 120.4° |
| C31 | C30 | C32 | H47 | 116.8° | 120.1° |
| C30 | C31 | O8 | N8 | 179.0° | 180.0° |
| C31 | C30 | C32 | C33 | 125.1° | 131.3° |
| C31 | C30 | C32 | H48 | 5.4° | 12.2° |
| C31 | C30 | C32 | H49 | 115.1° | 109.4° |
| C30 | C31 | N8 | C35 | 177.1° | 168.5° |
| C30 | C31 | N8 | H54 | 2.9° | 11.5° |
| C31 | C30 | N7 | C22 | 58.2° | 59.4° |
| C32 | C30 | C31 | O8 | 87.6° | 63.7° |
| C30 | C32 | C33 | H48 | 119.7° | 119.1° |
| C30 | C32 | C33 | H49 | 119.7° | 119.3° |
| C30 | C32 | H48 | H49 | 120.8° | 121.6° |
| C30 | C32 | C33 | C34 | 5.2° | 16.0° |
| C30 | C32 | C33 | H50 | 114.4° | 134.8° |
| C30 | C32 | C33 | H51 | 124.7° | 102.8° |
| C32 | C30 | N7 | C22 | 175.3° | 179.4° |
| C32 | C30 | C31 | N8 | 93.3° | 116.3° |
| H47 | C30 | C31 | O8 | 29.1° | 176.4° |
| H47 | C30 | C32 | C33 | 118.1° | 108.5° |
| H47 | C30 | C32 | H48 | 122.2° | 132.3° |
| H47 | C30 | C32 | H49 | 1.6° | 10.7° |
| H47 | C30 | N7 | C22 | 62.4° | 61.6° |
| H47 | C30 | C31 | N8 | 150.0° | 3.6° |
| O8 | C31 | N8 | C35 | 1.9° | 11.5° |
| O8 | C31 | N8 | H54 | 178.1° | 168.5° |
| C33 | C32 | H48 | H49 | 120.8° | 121.7° |
| C32 | C33 | C34 | H50 | 119.6° | 118.9° |
| C32 | C33 | C34 | H51 | 119.5° | 118.8° |
| C32 | C33 | H50 | H51 | 121.3° | 122.3° |
| C32 | C33 | C34 | H52 | 116.1° | 135.9° |
| C32 | C33 | C34 | H53 | 123.3° | 103.7° |
| H48 | C32 | C33 | C34 | 124.9° | 103.1° |
| H48 | C32 | C33 | H50 | 5.3° | 15.7° |
| H48 | C32 | C33 | H51 | 115.6° | 138.0° |
| H49 | C32 | C33 | C34 | 114.5° | 135.2° |
| H49 | C32 | C33 | H50 | 125.9° | 105.9° |
| H49 | C32 | C33 | H51 | 5.0° | 16.4° |
| C34 | C33 | H50 | H51 | 121.3° | 122.3° |
| C33 | C34 | H52 | H53 | 120.9° | 120.4° |
| C33 | C34 | N7 | C22 | 178.8° | 170.2° |
| H50 | C33 | C34 | H52 | 124.3° | 105.2° |
| H50 | C33 | C34 | H53 | 3.7° | 15.1° |
| H51 | C33 | C34 | H52 | 3.4° | 17.1° |
| H51 | C33 | C34 | H53 | 117.2° | 137.4° |
| H52 | C34 | N7 | C22 | 59.1° | 50.3° |
| H53 | C34 | N7 | C22 | 61.5° | 70.0° |
| C35 | N8 | H54 | C31 | 180.0° | 180.0° |
| N8 | C35 | C36 | C37 | 118.6° | 123.7° |
| N8 | C35 | C36 | H55 | 121.1° | 118.0° |
| N8 | C35 | C37 | H55 | 121.6° | 117.0° |
| N8 | C35 | C36 | O9 | 4.9° | 79.1° |
| N8 | C35 | C37 | O10 | 65.7° | 116.5° |
| N8 | C35 | C37 | H56 | 174.3° | 3.2° |
| N8 | C35 | C37 | H57 | 54.4° | 123.7° |
| N8 | C35 | C36 | N9 | 173.7° | 100.9° |
| H54 | N8 | C35 | C36 | 17.9° | 21.2° |
| H54 | N8 | C35 | C37 | 100.7° | 103.3° |
| H54 | N8 | C35 | H55 | 138.6° | 139.6° |
| C36 | C35 | C37 | H55 | 120.7° | 118.7° |
| C35 | C36 | O9 | N9 | 178.4° | 180.0° |
| C36 | C35 | C37 | O10 | 52.0° | 119.2° |
| C36 | C35 | C37 | H56 | 68.1° | 121.1° |
| C36 | C35 | C37 | H57 | 172.0° | 0.6° |
| C35 | C36 | N9 | C38 | 179.7° | 16.2° |
| C35 | C36 | N9 | H58 | 0.3° | 163.8° |
| C36 | C35 | N8 | C31 | 162.1° | 158.9° |
| C37 | C35 | C36 | O9 | 113.7° | 157.2° |
| C35 | C37 | O10 | H56 | 120.1° | 119.7° |
| C35 | C37 | O10 | H57 | 120.1° | 119.7° |
| C35 | C37 | H56 | H57 | 119.8° | 120.4° |
| C35 | C37 | O10 | C56 | 100.9° | 139.8° |
| C37 | C35 | N8 | C31 | 79.4° | 76.7° |
| C37 | C35 | C36 | N9 | 67.7° | 22.8° |
| H55 | C35 | C36 | O9 | 126.0° | 39.0° |
| H55 | C35 | C37 | O10 | 172.7° | 0.5° |
| H55 | C35 | C37 | H56 | 52.6° | 120.2° |
| H55 | C35 | C37 | H57 | 67.2° | 119.3° |
| H55 | C35 | N8 | C31 | 41.4° | 40.4° |
| H55 | C35 | C36 | N9 | 52.6° | 141.0° |
| O9 | C36 | N9 | C38 | 1.2° | 163.8° |
| O9 | C36 | N9 | H58 | 178.8° | 16.2° |
| O10 | C37 | H56 | H57 | 119.8° | 120.5° |
| C37 | O10 | C56 | C55 | 179.1° | 177.4° |
| C37 | O10 | C56 | O15 | 0.4° | 2.7° |
| H56 | C37 | O10 | C56 | 139.0° | 100.5° |
| H57 | C37 | O10 | C56 | 19.2° | 20.1° |
| C38 | N9 | H58 | C36 | 180.0° | 180.0° |
| N9 | C38 | C39 | C40 | 123.2° | 119.1° |
| N9 | C38 | C39 | H59 | 121.4° | 121.4° |
| N9 | C38 | C40 | H59 | 116.0° | 120.7° |
| N9 | C38 | C39 | O11 | 143.1° | 158.0° |
| N9 | C38 | C40 | C41 | 81.4° | 171.5° |
| N9 | C38 | C40 | H60 | 38.5° | 51.2° |
| N9 | C38 | C40 | H61 | 158.9° | 68.4° |
| N9 | C38 | C39 | N10 | 34.2° | 21.9° |
| H58 | N9 | C38 | C39 | 116.4° | 72.1° |
| H58 | N9 | C38 | C40 | 7.2° | 47.0° |
| H58 | N9 | C38 | H59 | 122.6° | 167.0° |
| C39 | C38 | C40 | H59 | 115.5° | 119.7° |
| C38 | C39 | O11 | N10 | 177.1° | 179.9° |
| C39 | C38 | C40 | C41 | 150.1° | 68.8° |
| C39 | C38 | C40 | H60 | 90.0° | 170.9° |
| C39 | C38 | C40 | H61 | 30.4° | 51.2° |
| C38 | C39 | N10 | C42 | 168.2° | 179.6° |
| C38 | C39 | N10 | H62 | 11.8° | 0.3° |
| C39 | C38 | N9 | C36 | 63.5° | 107.9° |
| C40 | C38 | C39 | O11 | 93.7° | 38.9° |
| C38 | C40 | C41 | H60 | 119.8° | 120.2° |
| C38 | C40 | C41 | H61 | 119.8° | 120.1° |
| C38 | C40 | H60 | H61 | 120.6° | 119.7° |
| C38 | C40 | C41 | O12 | 0.5° | 127.1° |
| C38 | C40 | C41 | O4 | 179.9° | 53.0° |
| C40 | C38 | N9 | C36 | 172.9° | 133.0° |
| C40 | C38 | C39 | N10 | 89.0° | 141.0° |
| H59 | C38 | C39 | O11 | 21.7° | 80.6° |
| H59 | C38 | C40 | C41 | 34.7° | 50.8° |
| H59 | C38 | C40 | H60 | 154.5° | 69.4° |
| H59 | C38 | C40 | H61 | 85.1° | 170.9° |
| H59 | C38 | N9 | C36 | 57.4° | 13.0° |
| H59 | C38 | C39 | N10 | 155.6° | 99.5° |
| O11 | C39 | N10 | C42 | 14.6° | 0.5° |
| O11 | C39 | N10 | H62 | 165.5° | 179.6° |
| C41 | C40 | H60 | H61 | 120.6° | 119.8° |
| C40 | C41 | O12 | O4 | 179.4° | 179.9° |
| H60 | C40 | C41 | O12 | 120.3° | 112.8° |
| H60 | C40 | C41 | O4 | 60.3° | 67.1° |
| H61 | C40 | C41 | O12 | 119.3° | 7.0° |
| H61 | C40 | C41 | O4 | 60.1° | 173.1° |
| C42 | N10 | H62 | C39 | 180.0° | 179.9° |
| N10 | C42 | C43 | C44 | 121.5° | 119.7° |
| N10 | C42 | C43 | H63 | 120.2° | 119.7° |
| N10 | C42 | C44 | H63 | 119.3° | 120.6° |
| N10 | C42 | C43 | O13 | 170.7° | 75.6° |
| N10 | C42 | C44 | C45 | 66.4° | 65.0° |
| N10 | C42 | C44 | H64 | 172.4° | 55.1° |
| N10 | C42 | C44 | H65 | 54.8° | 174.9° |
| N10 | C42 | C43 | N12 | 4.9° | 104.4° |
| H62 | N10 | C42 | C43 | 71.5° | 36.2° |
| H62 | N10 | C42 | C44 | 50.7° | 83.5° |
| H62 | N10 | C42 | H63 | 168.8° | 155.9° |
| C43 | C42 | C44 | H63 | 119.1° | 120.6° |
| C42 | C43 | O13 | N12 | 175.3° | 180.0° |
| C43 | C42 | C44 | C45 | 55.3° | 176.2° |
| C43 | C42 | C44 | H64 | 65.9° | 63.7° |
| C43 | C42 | C44 | H65 | 176.5° | 56.2° |
| C42 | C43 | N12 | C53 | 174.0° | 162.2° |
| C42 | C43 | N12 | H72 | 6.0° | 17.9° |
| C43 | C42 | N10 | C39 | 108.5° | 143.7° |
| C44 | C42 | C43 | O13 | 49.2° | 44.0° |
| C42 | C44 | C45 | H64 | 121.2° | 120.1° |
| C42 | C44 | C45 | H65 | 121.2° | 120.0° |
| C42 | C44 | H64 | H65 | 116.2° | 119.9° |
| C42 | C44 | C45 | C46 | 67.2° | 95.0° |
| C42 | C44 | C45 | C47 | 112.4° | 84.8° |
| C44 | C42 | N10 | C39 | 129.3° | 96.6° |
| C44 | C42 | C43 | N12 | 126.4° | 136.0° |
| H63 | C42 | C43 | O13 | 69.1° | 164.7° |
| H63 | C42 | C44 | C45 | 174.3° | 55.5° |
| H63 | C42 | C44 | H64 | 53.2° | 175.6° |
| H63 | C42 | C44 | H65 | 64.5° | 64.5° |
| H63 | C42 | N10 | C39 | 11.2° | 24.0° |
| H63 | C42 | C43 | N12 | 115.2° | 15.3° |
| O13 | C43 | N12 | C53 | 1.3° | 17.8° |
| O13 | C43 | N12 | H72 | 178.7° | 162.1° |
| C45 | C44 | H64 | H65 | 116.2° | 120.0° |
| C44 | C45 | C46 | C47 | 179.7° | 179.8° |
| C44 | C45 | C46 | N11 | 179.2° | 180.0° |
| C44 | C45 | C46 | H66 | 0.9° | 0.0° |
| C44 | C45 | C47 | C48 | 179.2° | 180.0° |
| C44 | C45 | C47 | C49 | 0.4° | 0.0° |
| H64 | C44 | C45 | C46 | 54.0° | 144.9° |
| H64 | C44 | C45 | C47 | 126.4° | 35.3° |
| H65 | C44 | C45 | C46 | 171.6° | 25.0° |
| H65 | C44 | C45 | C47 | 8.8° | 155.2° |
| C45 | C46 | N11 | H66 | 180.0° | 180.0° |
| C46 | C45 | C47 | C48 | 0.5° | 0.2° |
| C46 | C45 | C47 | C49 | 179.9° | 179.7° |
| C45 | C46 | N11 | C48 | 0.3° | 0.2° |
| C45 | C46 | N11 | H67 | 179.7° | 180.0° |
| C47 | C45 | C46 | N11 | 0.5° | 0.2° |
| C47 | C45 | C46 | H66 | 179.4° | 179.8° |
| C45 | C47 | C48 | C49 | 179.7° | 180.0° |
| C45 | C47 | C48 | N11 | 0.3° | 0.1° |
| C45 | C47 | C48 | C50 | 179.7° | 180.0° |
| C45 | C47 | C49 | C51 | 179.7° | 180.0° |
| C45 | C47 | C49 | H68 | 0.3° | 0.0° |
| C46 | N11 | C48 | C47 | 0.0° | 0.0° |
| C46 | N11 | C48 | H67 | 180.0° | 179.8° |
| C46 | N11 | C48 | C50 | 179.9° | 179.9° |
| H66 | C46 | N11 | C48 | 179.6° | 179.9° |
| H66 | C46 | N11 | H67 | 0.4° | 0.0° |
| C47 | C48 | N11 | C50 | 179.9° | 179.9° |
| C47 | C48 | N11 | H67 | 180.0° | 179.9° |
| C48 | C47 | C49 | C51 | 0.2° | 0.1° |
| C48 | C47 | C49 | H68 | 179.9° | 180.0° |
| C47 | C48 | C50 | C52 | 0.0° | 0.0° |
| C47 | C48 | C50 | H69 | 180.0° | 180.0° |
| C49 | C47 | C48 | N11 | 180.0° | 179.9° |
| C49 | C47 | C48 | C50 | 0.1° | 0.0° |
| C47 | C49 | C51 | H68 | 180.0° | 180.0° |
| C47 | C49 | C51 | C52 | 0.2° | 0.1° |
| C47 | C49 | C51 | H70 | 179.8° | 180.0° |
| N11 | C48 | C50 | C52 | 179.9° | 179.8° |
| N11 | C48 | C50 | H69 | 0.1° | 0.2° |
| H67 | N11 | C48 | C50 | 0.0° | 0.0° |
| C48 | C50 | C52 | H69 | 180.0° | 180.0° |
| C48 | C50 | C52 | C51 | 0.1° | 0.1° |
| C48 | C50 | C52 | H71 | 179.9° | 179.9° |
| C49 | C51 | C52 | C50 | 0.2° | 0.1° |
| C49 | C51 | C52 | H70 | 180.0° | 179.9° |
| C49 | C51 | C52 | H71 | 179.8° | 179.9° |
| H68 | C49 | C51 | C52 | 179.8° | 180.0° |
| H68 | C49 | C51 | H70 | 0.2° | 0.0° |
| C50 | C52 | C51 | H71 | 180.0° | 180.0° |
| C50 | C52 | C51 | H70 | 179.8° | 180.0° |
| H69 | C50 | C52 | C51 | 179.9° | 180.0° |
| H69 | C50 | C52 | H71 | 0.1° | 0.1° |
| H70 | C51 | C52 | H71 | 0.2° | 0.0° |
| C53 | N12 | H72 | C43 | 180.0° | 179.9° |
| N12 | C53 | C54 | C55 | 124.0° | 118.0° |
| N12 | C53 | C54 | H73 | 120.3° | 121.4° |
| N12 | C53 | C55 | H73 | 116.0° | 119.8° |
| N12 | C53 | C54 | O14 | 145.3° | 119.2° |
| N12 | C53 | C55 | C56 | 59.4° | 2.7° |
| N12 | C53 | C55 | H74 | 179.8° | 122.5° |
| N12 | C53 | C55 | H75 | 61.4° | 117.0° |
| N12 | C53 | C54 | N13 | 37.7° | 60.8° |
| H72 | N12 | C53 | C54 | 23.6° | 13.1° |
| H72 | N12 | C53 | C55 | 101.1° | 105.8° |
| H72 | N12 | C53 | H73 | 143.5° | 134.6° |
| C54 | C53 | C55 | H73 | 115.8° | 121.0° |
| C53 | C54 | O14 | N13 | 176.9° | 180.0° |
| C54 | C53 | C55 | C56 | 68.8° | 116.5° |
| C54 | C53 | C55 | H74 | 52.0° | 3.2° |
| C54 | C53 | C55 | H75 | 170.3° | 123.8° |
| C53 | C54 | N13 | C57 | 152.8° | 177.9° |
| C53 | C54 | N13 | H76 | 27.3° | 2.2° |
| C54 | C53 | N12 | C43 | 156.4° | 166.8° |
| C55 | C53 | C54 | O14 | 21.2° | 122.9° |
| C53 | C55 | C56 | H74 | 120.9° | 119.7° |
| C53 | C55 | C56 | H75 | 120.9° | 119.6° |
| C53 | C55 | H74 | H75 | 117.4° | 120.5° |
| C53 | C55 | C56 | O15 | 125.7° | 9.7° |
| C53 | C55 | C56 | O10 | 53.7° | 170.4° |
| C55 | C53 | C54 | N13 | 161.7° | 57.1° |
| C55 | C53 | N12 | C43 | 78.9° | 74.3° |
| H73 | C53 | C54 | O14 | 94.4° | 2.2° |
| H73 | C53 | C55 | C56 | 175.4° | 122.5° |
| H73 | C53 | C55 | H74 | 63.8° | 117.7° |
| H73 | C53 | C55 | H75 | 54.6° | 2.8° |
| H73 | C53 | C54 | N13 | 82.7° | 177.8° |
| H73 | C53 | N12 | C43 | 36.5° | 45.3° |
| O14 | C54 | N13 | C57 | 24.2° | 2.1° |
| O14 | C54 | N13 | H76 | 155.8° | 177.8° |
| C56 | C55 | H74 | H75 | 117.3° | 120.6° |
| C55 | C56 | O15 | O10 | 179.5° | 179.9° |
| H74 | C55 | C56 | O15 | 4.9° | 110.0° |
| H74 | C55 | C56 | O10 | 174.6° | 69.9° |
| H75 | C55 | C56 | O15 | 113.4° | 129.3° |
| H75 | C55 | C56 | O10 | 67.1° | 50.8° |
| C57 | N13 | H76 | C54 | 180.0° | 179.9° |
| N13 | C57 | C58 | C59 | 124.0° | 119.9° |
| N13 | C57 | C58 | H77 | 119.4° | 120.1° |
| N13 | C57 | C59 | H77 | 118.2° | 120.0° |
| N13 | C57 | C58 | O16 | 6.4° | 19.9° |
| N13 | C57 | C58 | O18 | 172.1° | 160.0° |
| N13 | C57 | C59 | C60 | 48.1° | 103.8° |
| N13 | C57 | C59 | H78 | 169.0° | 136.3° |
| N13 | C57 | C59 | H79 | 72.8° | 16.2° |
| H76 | N13 | C57 | C58 | 83.6° | 62.5° |
| H76 | N13 | C57 | C59 | 40.1° | 57.4° |
| H76 | N13 | C57 | H77 | 157.7° | 177.4° |
| C58 | C57 | C59 | H77 | 116.5° | 120.1° |
| C57 | C58 | O16 | O18 | 178.5° | 179.9° |
| C58 | C57 | C59 | C60 | 77.2° | 16.2° |
| C58 | C57 | C59 | H78 | 43.7° | 103.8° |
| C58 | C57 | C59 | H79 | 161.9° | 136.2° |
| C57 | C58 | O18 | H80 | 178.5° | 180.0° |
| C58 | C57 | N13 | C54 | 96.4° | 117.4° |
| C59 | C57 | C58 | O16 | 117.6° | 99.9° |
| C59 | C57 | C58 | O18 | 63.9° | 80.1° |
| C57 | C59 | C60 | H78 | 120.9° | 119.9° |
| C57 | C59 | C60 | H79 | 120.9° | 120.0° |
| C57 | C59 | H78 | H79 | 117.2° | 120.0° |
| C57 | C59 | C60 | O17 | 17.9° | 5.5° |
| C57 | C59 | C60 | N5 | 161.9° | 174.4° |
| C59 | C57 | N13 | C54 | 139.9° | 122.7° |
| H77 | C57 | C58 | O16 | 125.8° | 140.0° |
| H77 | C57 | C58 | O18 | 52.7° | 39.9° |
| H77 | C57 | C59 | C60 | 166.3° | 136.2° |
| H77 | C57 | C59 | H78 | 72.8° | 16.3° |
| H77 | C57 | C59 | H79 | 45.4° | 103.8° |
| H77 | C57 | N13 | C54 | 22.3° | 2.7° |
| O16 | C58 | O18 | H80 | 0.0° | 0.0° |
| C60 | C59 | H78 | H79 | 117.2° | 120.1° |
| C59 | C60 | O17 | N5 | 179.8° | 179.9° |
| H78 | C59 | C60 | O17 | 103.0° | 125.4° |
| H78 | C59 | C60 | N5 | 77.1° | 54.5° |
| H79 | C59 | C60 | O17 | 138.8° | 114.5° |
| H79 | C59 | C60 | N5 | 41.1° | 65.6° |
