PRD_000219
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.48Å | 1.44Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C10 | sing | 1.50Å | 1.50Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | N3 | sing | 1.47Å | 1.46Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | H18 | sing | 1.01Å | 1.00Å | |
| N3 | H19 | sing | 1.01Å | 1.00Å | |
| C10 | O2 | doub | 1.21Å | 1.22Å | |
| N4 | C11 | sing | 1.48Å | 1.45Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.50Å | 1.59Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.48Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| N5 | C17 | sing | 1.48Å | 1.49Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.50Å | 1.56Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | O4 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H35 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | H36 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| N6 | C26 | sing | 1.47Å | 1.48Å | |
| N6 | C30 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.49Å | 1.55Å | |
| C26 | C28 | sing | 1.54Å | 1.54Å | |
| C26 | H40 | sing | 1.10Å | 1.10Å | |
| C27 | O5 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.54Å | 1.44Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.54Å | 1.50Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| N7 | C31 | sing | 1.47Å | 1.48Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | C33 | sing | 1.53Å | 1.51Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | O6 | doub | 1.21Å | 1.21Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.50Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| N8 | C36 | sing | 1.48Å | 1.42Å | |
| N8 | H56 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C40 | sing | 1.51Å | 1.50Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | N9 | sing | 1.47Å | 1.46Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| N9 | H64 | sing | 1.01Å | 1.00Å | |
| N9 | H65 | sing | 1.01Å | 1.00Å | |
| C40 | O7 | doub | 1.21Å | 1.23Å | |
| N10 | C41 | sing | 1.48Å | 1.42Å | |
| N10 | H66 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.50Å | 1.43Å | |
| C41 | C43 | sing | 1.53Å | 1.52Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | O8 | doub | 1.21Å | 1.24Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | C46 | sing | 1.53Å | 1.50Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| C46 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | H76 | sing | 1.09Å | 1.10Å | |
| N11 | C47 | sing | 1.48Å | 1.37Å | |
| N11 | H77 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.51Å | 1.57Å | |
| C47 | C49 | sing | 1.53Å | 1.49Å | |
| C47 | H78 | sing | 1.09Å | 1.10Å | |
| C48 | O9 | doub | 1.21Å | 1.22Å | |
| C49 | C50 | sing | 1.51Å | 1.39Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C49 | H80 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | doub | 1.38Å | 1.37Å | Aromatic |
| C50 | C52 | sing | 1.38Å | 1.37Å | Aromatic |
| C51 | C53 | sing | 1.38Å | 1.37Å | Aromatic |
| C51 | H81 | sing | 1.08Å | 1.08Å | |
| C52 | C54 | doub | 1.38Å | 1.33Å | Aromatic |
| C52 | H82 | sing | 1.08Å | 1.08Å | |
| C53 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | H83 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | sing | 1.38Å | 1.37Å | Aromatic |
| C54 | H84 | sing | 1.08Å | 1.08Å | |
| C55 | H85 | sing | 1.08Å | 1.08Å | |
| N12 | C56 | sing | 1.47Å | 1.47Å | |
| N12 | C60 | sing | 1.47Å | 1.47Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| C56 | C58 | sing | 1.53Å | 1.54Å | |
| C56 | H86 | sing | 1.09Å | 1.10Å | |
| C57 | O10 | doub | 1.21Å | 1.23Å | |
| C58 | C59 | sing | 1.54Å | 1.44Å | |
| C58 | H87 | sing | 1.09Å | 1.10Å | |
| C58 | H88 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | H89 | sing | 1.09Å | 1.10Å | |
| C59 | H90 | sing | 1.09Å | 1.10Å | |
| C60 | H91 | sing | 1.09Å | 1.10Å | |
| C60 | H92 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| N1 | C57 | sing | 1.37Å | 1.32Å | |
| C10 | N4 | sing | 1.36Å | 1.32Å | |
| C12 | N5 | sing | 1.36Å | 1.35Å | |
| C18 | N6 | sing | 1.35Å | 1.34Å | |
| C32 | N8 | sing | 1.37Å | 1.32Å | |
| C40 | N10 | sing | 1.36Å | 1.30Å | |
| C42 | N11 | sing | 1.36Å | 1.28Å | |
| C48 | N12 | sing | 1.34Å | 1.32Å | |
| C27 | N7 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.0° | 121.9° |
| N1 | C1 | C2 | 114.0° | 109.2° |
| N1 | C1 | C3 | 112.7° | 109.5° |
| N1 | C1 | H2 | 106.3° | 109.6° |
| C1 | N1 | C57 | 119.9° | 116.1° |
| H1 | N1 | C57 | 120.0° | 122.0° |
| C2 | C1 | C3 | 111.5° | 109.5° |
| C2 | C1 | H2 | 106.0° | 109.5° |
| C1 | C2 | O1 | 120.7° | 120.5° |
| C1 | C2 | N2 | 116.2° | 119.0° |
| C3 | C1 | H2 | 105.6° | 109.5° |
| C1 | C3 | C4 | 111.5° | 109.5° |
| C1 | C3 | C5 | 109.5° | 109.5° |
| C1 | C3 | H3 | 108.7° | 109.5° |
| O1 | C2 | N2 | 123.1° | 120.5° |
| C4 | C3 | C5 | 109.0° | 109.4° |
| C4 | C3 | H3 | 109.0° | 109.4° |
| C3 | C4 | H4 | 109.5° | 109.4° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.4° | 109.5° |
| C5 | C3 | H3 | 109.1° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.4° |
| C3 | C5 | H8 | 109.4° | 109.5° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| C6 | N2 | H10 | 121.8° | 121.6° |
| N2 | C6 | C7 | 98.6° | 109.5° |
| N2 | C6 | C10 | 130.1° | 109.0° |
| N2 | C6 | H11 | 109.3° | 109.6° |
| C6 | N2 | C2 | 116.3° | 116.8° |
| H10 | N2 | C2 | 121.8° | 121.6° |
| C7 | C6 | C10 | 99.3° | 109.5° |
| C7 | C6 | H11 | 108.1° | 109.5° |
| C6 | C7 | C8 | 112.4° | 109.5° |
| C6 | C7 | H12 | 108.7° | 109.5° |
| C6 | C7 | H13 | 108.7° | 109.5° |
| C10 | C6 | H11 | 108.5° | 109.6° |
| C6 | C10 | O2 | 121.7° | 119.3° |
| C6 | C10 | N4 | 115.4° | 121.3° |
| C8 | C7 | H12 | 108.7° | 109.4° |
| C8 | C7 | H13 | 108.7° | 109.4° |
| C7 | C8 | C9 | 113.7° | 109.5° |
| C7 | C8 | H14 | 108.4° | 109.5° |
| C7 | C8 | H15 | 108.4° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| C9 | C8 | H14 | 108.4° | 109.5° |
| C9 | C8 | H15 | 108.4° | 109.4° |
| C8 | C9 | N3 | 113.4° | 109.5° |
| C8 | C9 | H16 | 108.5° | 109.4° |
| C8 | C9 | H17 | 108.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.4° |
| N3 | C9 | H16 | 108.5° | 109.5° |
| N3 | C9 | H17 | 108.5° | 109.5° |
| C9 | N3 | H18 | 109.5° | 111.0° |
| C9 | N3 | H19 | 109.5° | 111.0° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H18 | N3 | H19 | 109.5° | 111.0° |
| O2 | C10 | N4 | 122.4° | 119.4° |
| C11 | N4 | H20 | 121.4° | 122.6° |
| N4 | C11 | C12 | 107.9° | 109.9° |
| N4 | C11 | C13 | 108.5° | 109.4° |
| N4 | C11 | H21 | 106.1° | 109.4° |
| C11 | N4 | C10 | 117.2° | 114.9° |
| H20 | N4 | C10 | 121.4° | 122.5° |
| C12 | C11 | C13 | 123.3° | 109.4° |
| C12 | C11 | H21 | 104.6° | 109.3° |
| C11 | C12 | O3 | 120.5° | 119.8° |
| C11 | C12 | N5 | 117.2° | 120.4° |
| C13 | C11 | H21 | 105.2° | 109.4° |
| C11 | C13 | C14 | 100.8° | 109.5° |
| C11 | C13 | H22 | 111.6° | 109.5° |
| C11 | C13 | H23 | 111.6° | 109.5° |
| O3 | C12 | N5 | 121.8° | 119.8° |
| C14 | C13 | H22 | 111.6° | 109.4° |
| C14 | C13 | H23 | 111.6° | 109.5° |
| C13 | C14 | C15 | 117.2° | 109.5° |
| C13 | C14 | C16 | 115.1° | 109.5° |
| C13 | C14 | H24 | 105.6° | 109.5° |
| H22 | C13 | H23 | 109.4° | 109.5° |
| C15 | C14 | C16 | 105.4° | 109.4° |
| C15 | C14 | H24 | 106.0° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C14 | C15 | H27 | 109.5° | 109.4° |
| C16 | C14 | H24 | 106.7° | 109.4° |
| C14 | C16 | H28 | 109.5° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H25 | C15 | H27 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H30 | 109.4° | 109.4° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| C17 | N5 | H31 | 118.2° | 121.9° |
| N5 | C17 | C18 | 108.6° | 110.2° |
| N5 | C17 | C19 | 111.5° | 109.3° |
| N5 | C17 | H32 | 108.6° | 109.3° |
| C17 | N5 | C12 | 123.5° | 116.1° |
| H31 | N5 | C12 | 118.2° | 122.0° |
| C18 | C17 | C19 | 112.5° | 109.3° |
| C18 | C17 | H32 | 107.7° | 109.4° |
| C17 | C18 | O4 | 119.8° | 120.0° |
| C17 | C18 | N6 | 117.6° | 120.0° |
| C19 | C17 | H32 | 107.8° | 109.2° |
| C17 | C19 | C20 | 112.9° | 109.5° |
| C17 | C19 | H33 | 108.6° | 109.5° |
| C17 | C19 | H34 | 108.6° | 109.5° |
| O4 | C18 | N6 | 122.0° | 120.0° |
| C20 | C19 | H33 | 108.6° | 109.4° |
| C20 | C19 | H34 | 108.6° | 109.5° |
| C19 | C20 | C21 | 121.1° | 120.0° |
| C19 | C20 | C22 | 120.3° | 120.0° |
| H33 | C19 | H34 | 109.5° | 109.4° |
| C21 | C20 | C22 | 118.6° | 120.0° |
| C20 | C21 | C23 | 120.6° | 120.0° |
| C20 | C21 | H35 | 119.7° | 120.0° |
| C20 | C22 | C24 | 120.9° | 120.0° |
| C20 | C22 | H36 | 119.6° | 119.9° |
| C23 | C21 | H35 | 119.7° | 120.0° |
| C21 | C23 | C25 | 119.9° | 120.0° |
| C21 | C23 | H37 | 120.1° | 120.0° |
| C24 | C22 | H36 | 119.5° | 120.0° |
| C22 | C24 | C25 | 120.1° | 120.0° |
| C22 | C24 | H38 | 120.0° | 120.0° |
| C25 | C23 | H37 | 120.0° | 120.0° |
| C23 | C25 | C24 | 119.9° | 120.0° |
| C23 | C25 | H39 | 120.0° | 120.0° |
| C25 | C24 | H38 | 120.0° | 120.0° |
| C24 | C25 | H39 | 120.0° | 120.0° |
| C26 | N6 | C30 | 110.4° | 108.2° |
| N6 | C26 | C27 | 126.9° | 111.9° |
| N6 | C26 | C28 | 102.5° | 107.3° |
| N6 | C26 | H40 | 108.3° | 108.8° |
| C26 | N6 | C18 | 126.1° | 126.5° |
| N6 | C30 | C29 | 105.6° | 107.9° |
| N6 | C30 | H45 | 110.4° | 109.8° |
| N6 | C30 | H46 | 110.4° | 109.8° |
| C30 | N6 | C18 | 120.7° | 125.3° |
| C27 | C26 | C28 | 102.5° | 111.3° |
| C27 | C26 | H40 | 107.5° | 108.9° |
| C26 | C27 | O5 | 113.1° | 119.5° |
| C26 | C27 | N7 | 125.9° | 120.9° |
| C28 | C26 | H40 | 107.7° | 108.7° |
| C26 | C28 | C29 | 107.2° | 104.2° |
| C26 | C28 | H41 | 110.0° | 110.5° |
| C26 | C28 | H42 | 110.0° | 110.5° |
| O5 | C27 | N7 | 120.9° | 119.6° |
| C29 | C28 | H41 | 110.0° | 110.5° |
| C29 | C28 | H42 | 110.0° | 110.5° |
| C28 | C29 | C30 | 108.1° | 106.1° |
| C28 | C29 | H43 | 109.8° | 110.1° |
| C28 | C29 | H44 | 109.8° | 110.1° |
| H41 | C28 | H42 | 109.5° | 110.5° |
| C30 | C29 | H43 | 109.8° | 110.1° |
| C30 | C29 | H44 | 109.8° | 110.1° |
| C29 | C30 | H45 | 110.4° | 109.8° |
| C29 | C30 | H46 | 110.4° | 109.8° |
| H43 | C29 | H44 | 109.5° | 110.2° |
| H45 | C30 | H46 | 109.5° | 109.8° |
| C31 | N7 | H47 | 121.8° | 121.3° |
| N7 | C31 | C32 | 115.3° | 111.6° |
| N7 | C31 | C33 | 115.1° | 109.1° |
| N7 | C31 | H48 | 104.2° | 109.0° |
| C31 | N7 | C27 | 116.4° | 117.2° |
| H47 | N7 | C27 | 121.8° | 121.5° |
| C32 | C31 | C33 | 112.4° | 109.0° |
| C32 | C31 | H48 | 104.0° | 109.0° |
| C31 | C32 | O6 | 123.6° | 121.3° |
| C31 | C32 | N8 | 109.9° | 117.4° |
| C33 | C31 | H48 | 104.0° | 109.0° |
| C31 | C33 | C34 | 108.8° | 109.5° |
| C31 | C33 | C35 | 108.4° | 109.5° |
| C31 | C33 | H49 | 110.0° | 109.5° |
| O6 | C32 | N8 | 126.3° | 121.3° |
| C34 | C33 | C35 | 109.9° | 109.5° |
| C34 | C33 | H49 | 109.6° | 109.5° |
| C33 | C34 | H50 | 109.5° | 109.5° |
| C33 | C34 | H51 | 109.5° | 109.5° |
| C33 | C34 | H52 | 109.5° | 109.4° |
| C35 | C33 | H49 | 110.0° | 109.5° |
| C33 | C35 | H53 | 109.5° | 109.4° |
| C33 | C35 | H54 | 109.5° | 109.5° |
| C33 | C35 | H55 | 109.4° | 109.5° |
| H50 | C34 | H51 | 109.5° | 109.5° |
| H50 | C34 | H52 | 109.5° | 109.5° |
| H51 | C34 | H52 | 109.5° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| H53 | C35 | H55 | 109.5° | 109.5° |
| H54 | C35 | H55 | 109.5° | 109.5° |
| C36 | N8 | H56 | 118.1° | 121.7° |
| N8 | C36 | C37 | 107.9° | 109.8° |
| N8 | C36 | C40 | 99.0° | 108.1° |
| N8 | C36 | H57 | 111.4° | 109.8° |
| C36 | N8 | C32 | 123.9° | 116.5° |
| H56 | N8 | C32 | 118.0° | 121.8° |
| C37 | C36 | C40 | 118.0° | 109.7° |
| C37 | C36 | H57 | 109.7° | 109.7° |
| C36 | C37 | C38 | 120.9° | 109.5° |
| C36 | C37 | H58 | 106.6° | 109.5° |
| C36 | C37 | H59 | 106.5° | 109.5° |
| C40 | C36 | H57 | 110.3° | 109.8° |
| C36 | C40 | O7 | 121.6° | 119.7° |
| C36 | C40 | N10 | 115.4° | 120.5° |
| C38 | C37 | H58 | 106.5° | 109.5° |
| C38 | C37 | H59 | 106.5° | 109.4° |
| C37 | C38 | C39 | 111.2° | 109.5° |
| C37 | C38 | H60 | 109.0° | 109.5° |
| C37 | C38 | H61 | 109.0° | 109.5° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| C39 | C38 | H60 | 109.0° | 109.4° |
| C39 | C38 | H61 | 109.1° | 109.4° |
| C38 | C39 | N9 | 113.4° | 109.5° |
| C38 | C39 | H62 | 108.5° | 109.5° |
| C38 | C39 | H63 | 108.5° | 109.5° |
| H60 | C38 | H61 | 109.5° | 109.5° |
| N9 | C39 | H62 | 108.5° | 109.4° |
| N9 | C39 | H63 | 108.5° | 109.4° |
| C39 | N9 | H64 | 109.5° | 111.1° |
| C39 | N9 | H65 | 109.5° | 111.0° |
| H62 | C39 | H63 | 109.5° | 109.5° |
| H64 | N9 | H65 | 109.4° | 111.0° |
| O7 | C40 | N10 | 123.0° | 119.8° |
| C41 | N10 | H66 | 121.4° | 122.0° |
| N10 | C41 | C42 | 95.5° | 109.1° |
| N10 | C41 | C43 | 110.9° | 109.6° |
| N10 | C41 | H67 | 114.6° | 109.6° |
| C41 | N10 | C40 | 117.2° | 116.1° |
| H66 | N10 | C40 | 121.4° | 122.0° |
| C42 | C41 | C43 | 107.2° | 109.5° |
| C42 | C41 | H67 | 114.4° | 109.5° |
| C41 | C42 | O8 | 124.3° | 119.9° |
| C41 | C42 | N11 | 109.7° | 120.3° |
| C43 | C41 | H67 | 112.9° | 109.6° |
| C41 | C43 | C44 | 120.3° | 109.5° |
| C41 | C43 | H68 | 106.7° | 109.5° |
| C41 | C43 | H69 | 106.7° | 109.5° |
| O8 | C42 | N11 | 124.7° | 119.8° |
| C44 | C43 | H68 | 106.7° | 109.4° |
| C44 | C43 | H69 | 106.7° | 109.5° |
| C43 | C44 | C45 | 107.7° | 109.5° |
| C43 | C44 | C46 | 108.7° | 109.5° |
| C43 | C44 | H70 | 109.5° | 109.4° |
| H68 | C43 | H69 | 109.4° | 109.5° |
| C45 | C44 | C46 | 111.7° | 109.5° |
| C45 | C44 | H70 | 109.4° | 109.5° |
| C44 | C45 | H71 | 109.5° | 109.4° |
| C44 | C45 | H72 | 109.5° | 109.5° |
| C44 | C45 | H73 | 109.4° | 109.5° |
| C46 | C44 | H70 | 109.7° | 109.5° |
| C44 | C46 | H74 | 109.5° | 109.4° |
| C44 | C46 | H75 | 109.5° | 109.5° |
| C44 | C46 | H76 | 109.5° | 109.5° |
| H71 | C45 | H72 | 109.5° | 109.5° |
| H71 | C45 | H73 | 109.5° | 109.5° |
| H72 | C45 | H73 | 109.5° | 109.5° |
| H74 | C46 | H75 | 109.4° | 109.5° |
| H74 | C46 | H76 | 109.5° | 109.5° |
| H75 | C46 | H76 | 109.5° | 109.5° |
| C47 | N11 | H77 | 122.3° | 122.4° |
| N11 | C47 | C48 | 107.0° | 109.0° |
| N11 | C47 | C49 | 110.2° | 109.6° |
| N11 | C47 | H78 | 108.6° | 109.6° |
| C47 | N11 | C42 | 115.3° | 115.2° |
| H77 | N11 | C42 | 122.3° | 122.4° |
| C48 | C47 | C49 | 117.6° | 109.5° |
| C48 | C47 | H78 | 106.1° | 109.5° |
| C47 | C48 | O9 | 117.7° | 120.0° |
| C47 | C48 | N12 | 113.2° | 120.0° |
| C49 | C47 | H78 | 107.0° | 109.6° |
| C47 | C49 | C50 | 111.7° | 109.4° |
| C47 | C49 | H79 | 108.9° | 109.5° |
| C47 | C49 | H80 | 108.9° | 109.4° |
| O9 | C48 | N12 | 121.8° | 120.0° |
| C50 | C49 | H79 | 108.9° | 109.5° |
| C50 | C49 | H80 | 108.9° | 109.4° |
| C49 | C50 | C51 | 121.9° | 120.0° |
| C49 | C50 | C52 | 114.3° | 120.0° |
| H79 | C49 | H80 | 109.5° | 109.5° |
| C51 | C50 | C52 | 119.5° | 120.0° |
| C50 | C51 | C53 | 118.9° | 120.0° |
| C50 | C51 | H81 | 120.6° | 120.0° |
| C50 | C52 | C54 | 121.3° | 120.0° |
| C50 | C52 | H82 | 119.4° | 120.0° |
| C53 | C51 | H81 | 120.6° | 120.0° |
| C51 | C53 | C55 | 119.7° | 120.0° |
| C51 | C53 | H83 | 120.1° | 120.1° |
| C54 | C52 | H82 | 119.3° | 120.0° |
| C52 | C54 | C55 | 119.4° | 120.0° |
| C52 | C54 | H84 | 120.3° | 120.0° |
| C55 | C53 | H83 | 120.2° | 120.0° |
| C53 | C55 | C54 | 120.0° | 120.0° |
| C53 | C55 | H85 | 120.0° | 120.0° |
| C55 | C54 | H84 | 120.3° | 120.0° |
| C54 | C55 | H85 | 120.0° | 120.1° |
| C56 | N12 | C60 | 110.1° | 109.0° |
| N12 | C56 | C57 | 117.4° | 110.2° |
| N12 | C56 | C58 | 103.0° | 107.8° |
| N12 | C56 | H86 | 109.1° | 110.0° |
| C56 | N12 | C48 | 109.7° | 125.3° |
| N12 | C60 | C59 | 103.4° | 107.7° |
| N12 | C60 | H91 | 111.0° | 109.8° |
| N12 | C60 | H92 | 111.0° | 109.9° |
| C60 | N12 | C48 | 139.5° | 125.7° |
| C57 | C56 | C58 | 110.1° | 109.5° |
| C57 | C56 | H86 | 108.6° | 109.8° |
| C56 | C57 | O10 | 117.8° | 120.6° |
| C56 | C57 | N1 | 114.0° | 118.8° |
| C58 | C56 | H86 | 108.2° | 109.6° |
| C56 | C58 | C59 | 103.6° | 106.1° |
| C56 | C58 | H87 | 110.9° | 110.2° |
| C56 | C58 | H88 | 111.0° | 110.1° |
| O10 | C57 | N1 | 125.7° | 120.6° |
| C59 | C58 | H87 | 110.9° | 110.1° |
| C59 | C58 | H88 | 110.9° | 110.1° |
| C58 | C59 | C60 | 105.7° | 106.0° |
| C58 | C59 | H89 | 110.4° | 110.1° |
| C58 | C59 | H90 | 110.4° | 110.2° |
| H87 | C58 | H88 | 109.5° | 110.1° |
| C60 | C59 | H89 | 110.4° | 110.2° |
| C60 | C59 | H90 | 110.4° | 110.1° |
| C59 | C60 | H91 | 111.0° | 109.8° |
| C59 | C60 | H92 | 111.0° | 109.8° |
| H89 | C59 | H90 | 109.4° | 110.2° |
| H91 | C60 | H92 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C57 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 128.9° | 119.9° |
| N1 | C1 | C2 | H2 | 116.6° | 120.0° |
| N1 | C1 | C3 | H2 | 115.7° | 120.2° |
| N1 | C1 | C2 | O1 | 54.4° | 5.2° |
| N1 | C1 | C3 | C4 | 168.7° | 54.9° |
| N1 | C1 | C3 | C5 | 70.6° | 174.9° |
| N1 | C1 | C3 | H3 | 48.5° | 65.1° |
| C1 | N1 | C57 | C56 | 112.1° | 179.4° |
| C1 | N1 | C57 | O10 | 49.4° | 1.1° |
| N1 | C1 | C2 | N2 | 123.2° | 174.8° |
| H1 | N1 | C1 | C2 | 32.0° | 37.0° |
| H1 | N1 | C1 | C3 | 160.3° | 156.9° |
| H1 | N1 | C1 | H2 | 84.4° | 83.0° |
| H1 | N1 | C57 | C56 | 67.9° | 0.2° |
| H1 | N1 | C57 | O10 | 130.5° | 179.3° |
| C2 | C1 | C3 | H2 | 114.6° | 120.1° |
| C1 | C2 | O1 | N2 | 177.4° | 180.0° |
| C2 | C1 | C3 | C4 | 39.1° | 64.9° |
| C2 | C1 | C3 | C5 | 159.8° | 55.1° |
| C2 | C1 | C3 | H3 | 81.1° | 175.2° |
| C1 | C2 | N2 | C6 | 148.1° | 178.7° |
| C1 | C2 | N2 | H10 | 31.9° | 1.2° |
| C2 | C1 | N1 | C57 | 147.9° | 143.4° |
| C3 | C1 | C2 | O1 | 176.7° | 125.1° |
| C1 | C3 | C4 | C5 | 121.0° | 120.0° |
| C1 | C3 | C4 | H3 | 120.0° | 120.0° |
| C1 | C3 | C5 | H3 | 118.8° | 120.0° |
| C1 | C3 | C4 | H4 | 180.0° | 66.5° |
| C1 | C3 | C4 | H5 | 60.0° | 173.5° |
| C1 | C3 | C4 | H6 | 60.0° | 53.5° |
| C1 | C3 | C5 | H7 | 180.0° | 38.9° |
| C1 | C3 | C5 | H8 | 60.0° | 158.9° |
| C1 | C3 | C5 | H9 | 60.0° | 81.0° |
| C3 | C1 | C2 | N2 | 5.7° | 54.9° |
| C3 | C1 | N1 | C57 | 19.6° | 23.5° |
| H2 | C1 | C2 | O1 | 62.3° | 114.8° |
| H2 | C1 | C3 | C4 | 75.6° | 175.0° |
| H2 | C1 | C3 | C5 | 45.1° | 65.0° |
| H2 | C1 | C3 | H3 | 164.2° | 55.1° |
| H2 | C1 | C2 | N2 | 120.2° | 65.2° |
| H2 | C1 | N1 | C57 | 95.7° | 96.7° |
| O1 | C2 | N2 | C6 | 34.3° | 1.3° |
| O1 | C2 | N2 | H10 | 145.7° | 178.8° |
| C4 | C3 | C5 | H3 | 118.9° | 120.0° |
| C3 | C4 | H4 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H6 | 119.9° | 120.0° |
| C4 | C3 | C5 | H7 | 57.7° | 159.0° |
| C4 | C3 | C5 | H8 | 62.3° | 81.1° |
| C4 | C3 | C5 | H9 | 177.8° | 39.0° |
| C5 | C3 | C4 | H4 | 59.0° | 53.5° |
| C5 | C3 | C4 | H5 | 179.0° | 66.5° |
| C5 | C3 | C4 | H6 | 61.0° | 173.5° |
| C3 | C5 | H7 | H8 | 120.0° | 120.0° |
| C3 | C5 | H7 | H9 | 120.0° | 119.9° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 60.0° | 173.5° |
| H3 | C3 | C4 | H5 | 60.0° | 53.5° |
| H3 | C3 | C4 | H6 | 180.0° | 66.5° |
| H3 | C3 | C5 | H7 | 61.2° | 81.1° |
| H3 | C3 | C5 | H8 | 178.8° | 38.9° |
| H3 | C3 | C5 | H9 | 58.8° | 159.0° |
| H4 | C4 | H5 | H6 | 120.0° | 120.1° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
| C6 | N2 | H10 | C2 | 180.0° | 179.9° |
| N2 | C6 | C7 | C10 | 133.2° | 119.5° |
| N2 | C6 | C7 | H11 | 113.7° | 120.2° |
| N2 | C6 | C10 | H11 | 137.6° | 119.9° |
| N2 | C6 | C7 | C8 | 62.9° | 65.0° |
| N2 | C6 | C7 | H12 | 176.7° | 55.0° |
| N2 | C6 | C7 | H13 | 57.5° | 175.0° |
| N2 | C6 | C10 | O2 | 39.4° | 26.9° |
| N2 | C6 | C10 | N4 | 149.1° | 153.2° |
| H10 | N2 | C6 | C7 | 88.0° | 86.0° |
| H10 | N2 | C6 | C10 | 21.9° | 33.8° |
| H10 | N2 | C6 | H11 | 159.2° | 153.8° |
| C7 | C6 | C10 | H11 | 112.8° | 120.2° |
| C6 | C7 | C8 | H12 | 120.4° | 120.0° |
| C6 | C7 | C8 | H13 | 120.5° | 120.0° |
| C6 | C7 | H12 | H13 | 118.7° | 120.0° |
| C6 | C7 | C8 | C9 | 172.8° | 180.0° |
| C6 | C7 | C8 | H14 | 66.6° | 59.9° |
| C6 | C7 | C8 | H15 | 52.2° | 60.0° |
| C7 | C6 | C10 | O2 | 70.2° | 93.0° |
| C7 | C6 | N2 | C2 | 92.0° | 93.9° |
| C7 | C6 | C10 | N4 | 101.3° | 86.9° |
| C10 | C6 | C7 | C8 | 70.3° | 175.5° |
| C10 | C6 | C7 | H12 | 50.1° | 64.5° |
| C10 | C6 | C7 | H13 | 169.2° | 55.5° |
| C6 | C10 | O2 | N4 | 170.9° | 179.9° |
| C6 | C10 | N4 | C11 | 166.4° | 179.4° |
| C6 | C10 | N4 | H20 | 13.6° | 0.5° |
| C10 | C6 | N2 | C2 | 158.1° | 146.3° |
| H11 | C6 | C7 | C8 | 176.6° | 55.2° |
| H11 | C6 | C7 | H12 | 63.0° | 175.2° |
| H11 | C6 | C7 | H13 | 56.1° | 64.8° |
| H11 | C6 | C10 | O2 | 177.0° | 146.8° |
| H11 | C6 | N2 | C2 | 20.7° | 26.3° |
| H11 | C6 | C10 | N4 | 11.5° | 33.3° |
| C8 | C7 | H12 | H13 | 118.6° | 120.0° |
| C7 | C8 | C9 | H14 | 120.6° | 120.0° |
| C7 | C8 | C9 | H15 | 120.6° | 120.1° |
| C7 | C8 | H14 | H15 | 118.1° | 120.0° |
| C7 | C8 | C9 | N3 | 176.4° | 180.0° |
| C7 | C8 | C9 | H16 | 63.0° | 60.0° |
| C7 | C8 | C9 | H17 | 55.9° | 59.9° |
| H12 | C7 | C8 | C9 | 52.4° | 60.0° |
| H12 | C7 | C8 | H14 | 173.0° | 180.0° |
| H12 | C7 | C8 | H15 | 68.2° | 60.0° |
| H13 | C7 | C8 | C9 | 66.7° | 60.0° |
| H13 | C7 | C8 | H14 | 53.9° | 60.0° |
| H13 | C7 | C8 | H15 | 172.6° | 180.0° |
| C9 | C8 | H14 | H15 | 118.1° | 119.9° |
| C8 | C9 | N3 | H16 | 120.6° | 120.0° |
| C8 | C9 | N3 | H17 | 120.6° | 120.0° |
| C8 | C9 | H16 | H17 | 118.2° | 119.9° |
| C8 | C9 | N3 | H18 | 180.0° | 56.0° |
| C8 | C9 | N3 | H19 | 60.0° | 180.0° |
| H14 | C8 | C9 | N3 | 55.8° | 60.0° |
| H14 | C8 | C9 | H16 | 176.4° | 180.0° |
| H14 | C8 | C9 | H17 | 64.8° | 60.1° |
| H15 | C8 | C9 | N3 | 62.9° | 59.9° |
| H15 | C8 | C9 | H16 | 57.6° | 60.1° |
| H15 | C8 | C9 | H17 | 176.5° | 180.0° |
| N3 | C9 | H16 | H17 | 118.2° | 120.0° |
| C9 | N3 | H18 | H19 | 120.0° | 124.0° |
| H16 | C9 | N3 | H18 | 59.5° | 64.0° |
| H16 | C9 | N3 | H19 | 179.5° | 60.0° |
| H17 | C9 | N3 | H18 | 59.4° | 176.0° |
| H17 | C9 | N3 | H19 | 60.6° | 59.9° |
| O2 | C10 | N4 | C11 | 5.0° | 0.7° |
| O2 | C10 | N4 | H20 | 175.0° | 179.4° |
| C11 | N4 | H20 | C10 | 180.0° | 179.9° |
| N4 | C11 | C12 | C13 | 127.6° | 120.1° |
| N4 | C11 | C12 | H21 | 112.7° | 120.1° |
| N4 | C11 | C13 | H21 | 113.2° | 119.8° |
| N4 | C11 | C12 | O3 | 46.2° | 54.2° |
| N4 | C11 | C13 | C14 | 54.9° | 173.8° |
| N4 | C11 | C13 | H22 | 63.7° | 53.9° |
| N4 | C11 | C13 | H23 | 173.5° | 66.2° |
| N4 | C11 | C12 | N5 | 125.8° | 125.8° |
| H20 | N4 | C11 | C12 | 62.0° | 18.5° |
| H20 | N4 | C11 | C13 | 73.7° | 138.7° |
| H20 | N4 | C11 | H21 | 173.7° | 101.5° |
| C12 | C11 | C13 | H21 | 119.4° | 119.8° |
| C11 | C12 | O3 | N5 | 171.6° | 180.0° |
| C12 | C11 | C13 | C14 | 177.8° | 65.7° |
| C12 | C11 | C13 | H22 | 63.7° | 174.3° |
| C12 | C11 | C13 | H23 | 59.2° | 54.3° |
| C11 | C12 | N5 | C17 | 172.7° | 174.9° |
| C11 | C12 | N5 | H31 | 7.3° | 5.1° |
| C12 | C11 | N4 | C10 | 118.0° | 161.4° |
| C13 | C11 | C12 | O3 | 81.4° | 174.3° |
| C11 | C13 | C14 | H22 | 118.6° | 120.0° |
| C11 | C13 | C14 | H23 | 118.6° | 120.0° |
| C11 | C13 | H22 | H23 | 124.1° | 120.0° |
| C11 | C13 | C14 | C15 | 76.2° | 67.3° |
| C11 | C13 | C14 | C16 | 159.0° | 172.7° |
| C11 | C13 | C14 | H24 | 41.6° | 52.7° |
| C13 | C11 | N4 | C10 | 106.3° | 41.3° |
| C13 | C11 | C12 | N5 | 106.6° | 5.6° |
| H21 | C11 | C12 | O3 | 158.9° | 65.9° |
| H21 | C11 | C13 | C14 | 58.3° | 54.0° |
| H21 | C11 | C13 | H22 | 176.9° | 65.9° |
| H21 | C11 | C13 | H23 | 60.3° | 174.0° |
| H21 | C11 | N4 | C10 | 6.3° | 78.5° |
| H21 | C11 | C12 | N5 | 13.1° | 114.1° |
| O3 | C12 | N5 | C17 | 0.8° | 5.1° |
| O3 | C12 | N5 | H31 | 179.2° | 174.9° |
| C14 | C13 | H22 | H23 | 124.0° | 120.0° |
| C13 | C14 | C15 | C16 | 129.5° | 120.0° |
| C13 | C14 | C15 | H24 | 117.5° | 120.0° |
| C13 | C14 | C16 | H24 | 116.8° | 120.0° |
| C13 | C14 | C15 | H25 | 180.0° | 175.3° |
| C13 | C14 | C15 | H26 | 60.0° | 55.4° |
| C13 | C14 | C15 | H27 | 60.0° | 64.6° |
| C13 | C14 | C16 | H28 | 180.0° | 59.9° |
| C13 | C14 | C16 | H29 | 60.0° | 180.0° |
| C13 | C14 | C16 | H30 | 60.0° | 60.0° |
| H22 | C13 | C14 | C15 | 42.4° | 52.6° |
| H22 | C13 | C14 | C16 | 82.4° | 67.4° |
| H22 | C13 | C14 | H24 | 160.1° | 172.7° |
| H23 | C13 | C14 | C15 | 165.2° | 172.7° |
| H23 | C13 | C14 | C16 | 40.4° | 52.7° |
| H23 | C13 | C14 | H24 | 77.0° | 67.3° |
| C15 | C14 | C16 | H24 | 112.4° | 120.0° |
| C14 | C15 | H25 | H26 | 120.0° | 120.0° |
| C14 | C15 | H25 | H27 | 120.0° | 120.0° |
| C14 | C15 | H26 | H27 | 120.0° | 120.0° |
| C15 | C14 | C16 | H28 | 49.3° | 180.0° |
| C15 | C14 | C16 | H29 | 70.7° | 60.0° |
| C15 | C14 | C16 | H30 | 169.3° | 60.0° |
| C16 | C14 | C15 | H25 | 50.5° | 64.6° |
| C16 | C14 | C15 | H26 | 170.5° | 175.4° |
| C16 | C14 | C15 | H27 | 69.5° | 55.4° |
| C14 | C16 | H28 | H29 | 120.0° | 120.1° |
| C14 | C16 | H28 | H30 | 120.0° | 119.9° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| H24 | C14 | C15 | H25 | 62.5° | 55.3° |
| H24 | C14 | C15 | H26 | 57.5° | 64.7° |
| H24 | C14 | C15 | H27 | 177.5° | 175.3° |
| H24 | C14 | C16 | H28 | 63.2° | 60.0° |
| H24 | C14 | C16 | H29 | 176.8° | 60.0° |
| H24 | C14 | C16 | H30 | 56.8° | 180.0° |
| H25 | C15 | H26 | H27 | 120.0° | 120.1° |
| H28 | C16 | H29 | H30 | 120.0° | 120.0° |
| C17 | N5 | H31 | C12 | 180.0° | 180.0° |
| N5 | C17 | C18 | C19 | 124.0° | 120.2° |
| N5 | C17 | C18 | H32 | 117.4° | 120.3° |
| N5 | C17 | C19 | H32 | 119.1° | 119.6° |
| N5 | C17 | C18 | O4 | 66.4° | 48.5° |
| N5 | C17 | C19 | C20 | 175.0° | 176.6° |
| N5 | C17 | C19 | H33 | 64.5° | 56.6° |
| N5 | C17 | C19 | H34 | 54.5° | 63.3° |
| N5 | C17 | C18 | N6 | 122.1° | 131.5° |
| H31 | N5 | C17 | C18 | 139.9° | 50.4° |
| H31 | N5 | C17 | C19 | 15.3° | 170.6° |
| H31 | N5 | C17 | H32 | 103.3° | 69.9° |
| C18 | C17 | C19 | H32 | 118.6° | 119.7° |
| C17 | C18 | O4 | N6 | 171.1° | 180.0° |
| C18 | C17 | C19 | C20 | 62.7° | 55.9° |
| C18 | C17 | C19 | H33 | 57.8° | 64.1° |
| C18 | C17 | C19 | H34 | 176.8° | 175.9° |
| C17 | C18 | N6 | C26 | 163.5° | 169.9° |
| C17 | C18 | N6 | C30 | 37.3° | 10.6° |
| C18 | C17 | N5 | C12 | 40.1° | 129.6° |
| C19 | C17 | C18 | O4 | 57.6° | 71.7° |
| C17 | C19 | C20 | H33 | 120.5° | 120.0° |
| C17 | C19 | C20 | H34 | 120.5° | 120.1° |
| C17 | C19 | H33 | H34 | 118.4° | 120.0° |
| C17 | C19 | C20 | C21 | 85.0° | 95.4° |
| C17 | C19 | C20 | C22 | 90.9° | 84.9° |
| C19 | C17 | N5 | C12 | 164.7° | 9.4° |
| C19 | C17 | C18 | N6 | 113.9° | 108.3° |
| H32 | C17 | C18 | O4 | 176.2° | 168.7° |
| H32 | C17 | C19 | C20 | 55.9° | 63.8° |
| H32 | C17 | C19 | H33 | 176.4° | 176.2° |
| H32 | C17 | C19 | H34 | 64.6° | 56.2° |
| H32 | C17 | N5 | C12 | 76.7° | 110.0° |
| H32 | C17 | C18 | N6 | 4.7° | 11.3° |
| O4 | C18 | N6 | C26 | 25.2° | 10.1° |
| O4 | C18 | N6 | C30 | 133.9° | 169.5° |
| C20 | C19 | H33 | H34 | 118.5° | 120.0° |
| C19 | C20 | C21 | C22 | 176.0° | 179.8° |
| C19 | C20 | C21 | C23 | 177.4° | 180.0° |
| C19 | C20 | C21 | H35 | 2.6° | 0.0° |
| C19 | C20 | C22 | C24 | 177.5° | 180.0° |
| C19 | C20 | C22 | H36 | 2.5° | 0.1° |
| H33 | C19 | C20 | C21 | 154.5° | 24.6° |
| H33 | C19 | C20 | C22 | 29.6° | 155.1° |
| H34 | C19 | C20 | C21 | 35.5° | 144.6° |
| H34 | C19 | C20 | C22 | 148.6° | 35.2° |
| C20 | C21 | C23 | H35 | 180.0° | 180.0° |
| C21 | C20 | C22 | C24 | 1.5° | 0.3° |
| C21 | C20 | C22 | H36 | 178.6° | 179.7° |
| C20 | C21 | C23 | C25 | 0.8° | 0.0° |
| C20 | C21 | C23 | H37 | 179.2° | 180.0° |
| C22 | C20 | C21 | C23 | 1.5° | 0.3° |
| C22 | C20 | C21 | H35 | 178.5° | 179.8° |
| C20 | C22 | C24 | H36 | 180.0° | 180.0° |
| C20 | C22 | C24 | C25 | 0.8° | 0.0° |
| C20 | C22 | C24 | H38 | 179.2° | 179.9° |
| C21 | C23 | C25 | H37 | 180.0° | 180.0° |
| C21 | C23 | C25 | C24 | 0.1° | 0.2° |
| C21 | C23 | C25 | H39 | 180.0° | 180.0° |
| H35 | C21 | C23 | C25 | 179.2° | 180.0° |
| H35 | C21 | C23 | H37 | 0.8° | 0.0° |
| C22 | C24 | C25 | C23 | 0.1° | 0.2° |
| C22 | C24 | C25 | H38 | 180.0° | 179.9° |
| C22 | C24 | C25 | H39 | 179.9° | 180.0° |
| H36 | C22 | C24 | C25 | 179.2° | 179.9° |
| H36 | C22 | C24 | H38 | 0.7° | 0.1° |
| C23 | C25 | C24 | H39 | 180.0° | 179.8° |
| C23 | C25 | C24 | H38 | 180.0° | 179.7° |
| H37 | C23 | C25 | C24 | 180.0° | 179.8° |
| H37 | C23 | C25 | H39 | 0.0° | 0.0° |
| H38 | C24 | C25 | H39 | 0.0° | 0.1° |
| C26 | N6 | C30 | C18 | 162.1° | 179.6° |
| N6 | C26 | C27 | C28 | 116.3° | 120.0° |
| N6 | C26 | C27 | H40 | 130.4° | 120.3° |
| N6 | C26 | C28 | H40 | 114.1° | 117.4° |
| N6 | C26 | C27 | O5 | 166.1° | 22.5° |
| N6 | C26 | C28 | C29 | 24.9° | 24.7° |
| N6 | C26 | C28 | H41 | 94.8° | 94.0° |
| N6 | C26 | C28 | H42 | 144.5° | 143.4° |
| C26 | N6 | C30 | C29 | 6.1° | 13.9° |
| C26 | N6 | C30 | H45 | 113.3° | 105.7° |
| C26 | N6 | C30 | H46 | 125.5° | 133.5° |
| N6 | C26 | C27 | N7 | 9.9° | 157.5° |
| C30 | N6 | C26 | C27 | 135.0° | 146.6° |
| C30 | N6 | C26 | C28 | 18.7° | 24.3° |
| C30 | N6 | C26 | H40 | 94.9° | 93.0° |
| N6 | C30 | C29 | C28 | 10.3° | 1.9° |
| N6 | C30 | C29 | H45 | 119.4° | 119.6° |
| N6 | C30 | C29 | H46 | 119.4° | 119.6° |
| N6 | C30 | C29 | H43 | 130.1° | 121.0° |
| N6 | C30 | C29 | H44 | 109.5° | 117.3° |
| N6 | C30 | H45 | H46 | 121.8° | 120.7° |
| C27 | C26 | C28 | H40 | 113.2° | 119.9° |
| C26 | C27 | O5 | N7 | 176.2° | 180.0° |
| C27 | C26 | C28 | C29 | 157.6° | 147.4° |
| C27 | C26 | C28 | H41 | 37.9° | 28.7° |
| C27 | C26 | C28 | H42 | 82.8° | 93.9° |
| C26 | C27 | N7 | C31 | 176.6° | 150.9° |
| C26 | C27 | N7 | H47 | 3.4° | 29.0° |
| C27 | C26 | N6 | C18 | 64.1° | 33.0° |
| C28 | C26 | C27 | O5 | 49.8° | 142.5° |
| C26 | C28 | C29 | H41 | 119.6° | 118.7° |
| C26 | C28 | C29 | H42 | 119.6° | 118.7° |
| C26 | C28 | H41 | H42 | 121.0° | 122.6° |
| C26 | C28 | C29 | C30 | 22.2° | 15.9° |
| C26 | C28 | C29 | H43 | 142.0° | 135.0° |
| C26 | C28 | C29 | H44 | 97.6° | 103.3° |
| C28 | C26 | N6 | C18 | 179.6° | 155.3° |
| C28 | C26 | C27 | N7 | 126.2° | 37.5° |
| H40 | C26 | C27 | O5 | 63.5° | 97.8° |
| H40 | C26 | C28 | C29 | 89.3° | 92.7° |
| H40 | C26 | C28 | H41 | 151.1° | 148.6° |
| H40 | C26 | C28 | H42 | 30.4° | 26.0° |
| H40 | C26 | N6 | C18 | 66.0° | 87.4° |
| H40 | C26 | C27 | N7 | 120.6° | 82.2° |
| O5 | C27 | N7 | C31 | 7.8° | 29.1° |
| O5 | C27 | N7 | H47 | 172.2° | 151.0° |
| C29 | C28 | H41 | H42 | 121.0° | 122.6° |
| C28 | C29 | C30 | H43 | 119.8° | 119.2° |
| C28 | C29 | C30 | H44 | 119.8° | 119.1° |
| C28 | C29 | H43 | H44 | 120.6° | 121.6° |
| C28 | C29 | C30 | H45 | 129.7° | 121.5° |
| C28 | C29 | C30 | H46 | 109.1° | 117.8° |
| H41 | C28 | C29 | C30 | 97.5° | 102.8° |
| H41 | C28 | C29 | H43 | 22.3° | 16.3° |
| H41 | C28 | C29 | H44 | 142.7° | 138.0° |
| H42 | C28 | C29 | C30 | 141.8° | 134.5° |
| H42 | C28 | C29 | H43 | 98.4° | 106.3° |
| H42 | C28 | C29 | H44 | 22.0° | 15.4° |
| C30 | C29 | H43 | H44 | 120.6° | 121.7° |
| C29 | C30 | H45 | H46 | 121.7° | 120.8° |
| C29 | C30 | N6 | C18 | 168.2° | 165.7° |
| H43 | C29 | C30 | H45 | 110.5° | 119.4° |
| H43 | C29 | C30 | H46 | 10.7° | 1.4° |
| H44 | C29 | C30 | H45 | 9.9° | 2.3° |
| H44 | C29 | C30 | H46 | 131.1° | 123.1° |
| H45 | C30 | N6 | C18 | 48.9° | 74.7° |
| H46 | C30 | N6 | C18 | 72.4° | 46.1° |
| C31 | N7 | H47 | C27 | 180.0° | 179.9° |
| N7 | C31 | C32 | C33 | 134.6° | 120.6° |
| N7 | C31 | C32 | H48 | 113.5° | 120.5° |
| N7 | C31 | C33 | H48 | 113.4° | 118.9° |
| N7 | C31 | C32 | O6 | 49.6° | 8.6° |
| N7 | C31 | C33 | C34 | 174.0° | 58.4° |
| N7 | C31 | C33 | C35 | 66.5° | 61.6° |
| N7 | C31 | C33 | H49 | 53.9° | 178.4° |
| N7 | C31 | C32 | N8 | 125.4° | 171.3° |
| H47 | N7 | C31 | C32 | 33.8° | 78.5° |
| H47 | N7 | C31 | C33 | 99.6° | 42.1° |
| H47 | N7 | C31 | H48 | 147.1° | 161.0° |
| C32 | C31 | C33 | H48 | 111.9° | 118.9° |
| C31 | C32 | O6 | N8 | 174.2° | 180.0° |
| C32 | C31 | C33 | C34 | 39.3° | 179.5° |
| C32 | C31 | C33 | C35 | 158.8° | 60.6° |
| C32 | C31 | C33 | H49 | 80.8° | 59.4° |
| C31 | C32 | N8 | C36 | 154.4° | 178.4° |
| C31 | C32 | N8 | H56 | 25.6° | 1.6° |
| C32 | C31 | N7 | C27 | 146.2° | 101.6° |
| C33 | C31 | C32 | O6 | 85.1° | 111.9° |
| C31 | C33 | C34 | C35 | 118.6° | 120.0° |
| C31 | C33 | C34 | H49 | 120.4° | 120.0° |
| C31 | C33 | C35 | H49 | 120.4° | 120.0° |
| C31 | C33 | C34 | H50 | 180.0° | 65.0° |
| C31 | C33 | C34 | H51 | 60.0° | 175.0° |
| C31 | C33 | C34 | H52 | 60.0° | 55.0° |
| C31 | C33 | C35 | H53 | 180.0° | 60.0° |
| C31 | C33 | C35 | H54 | 60.0° | 180.0° |
| C31 | C33 | C35 | H55 | 60.0° | 60.0° |
| C33 | C31 | C32 | N8 | 99.9° | 68.1° |
| C33 | C31 | N7 | C27 | 80.4° | 137.8° |
| H48 | C31 | C32 | O6 | 163.1° | 129.2° |
| H48 | C31 | C33 | C34 | 72.6° | 60.5° |
| H48 | C31 | C33 | C35 | 46.9° | 179.5° |
| H48 | C31 | C33 | H49 | 167.3° | 59.5° |
| H48 | C31 | C32 | N8 | 12.0° | 50.8° |
| H48 | C31 | N7 | C27 | 32.9° | 18.9° |
| O6 | C32 | N8 | C36 | 20.5° | 1.6° |
| O6 | C32 | N8 | H56 | 159.5° | 178.4° |
| C34 | C33 | C35 | H49 | 120.8° | 120.0° |
| C33 | C34 | H50 | H51 | 120.0° | 120.0° |
| C33 | C34 | H50 | H52 | 120.0° | 120.0° |
| C33 | C34 | H51 | H52 | 120.0° | 120.0° |
| C34 | C33 | C35 | H53 | 61.2° | 180.0° |
| C34 | C33 | C35 | H54 | 58.8° | 60.0° |
| C34 | C33 | C35 | H55 | 178.8° | 60.0° |
| C35 | C33 | C34 | H50 | 61.4° | 55.0° |
| C35 | C33 | C34 | H51 | 178.6° | 65.0° |
| C35 | C33 | C34 | H52 | 58.6° | 175.0° |
| C33 | C35 | H53 | H54 | 120.0° | 120.0° |
| C33 | C35 | H53 | H55 | 120.0° | 120.0° |
| C33 | C35 | H54 | H55 | 119.9° | 120.0° |
| H49 | C33 | C34 | H50 | 59.6° | 175.0° |
| H49 | C33 | C34 | H51 | 60.4° | 54.9° |
| H49 | C33 | C34 | H52 | 179.6° | 65.1° |
| H49 | C33 | C35 | H53 | 59.6° | 60.0° |
| H49 | C33 | C35 | H54 | 179.7° | 60.0° |
| H49 | C33 | C35 | H55 | 60.4° | 180.0° |
| H50 | C34 | H51 | H52 | 120.0° | 120.0° |
| H53 | C35 | H54 | H55 | 120.0° | 120.0° |
| C36 | N8 | H56 | C32 | 180.0° | 180.0° |
| N8 | C36 | C37 | C40 | 111.0° | 118.6° |
| N8 | C36 | C37 | H57 | 121.6° | 120.7° |
| N8 | C36 | C40 | H57 | 116.9° | 119.7° |
| N8 | C36 | C37 | C38 | 112.4° | 57.0° |
| N8 | C36 | C37 | H58 | 126.0° | 177.1° |
| N8 | C36 | C37 | H59 | 9.2° | 62.9° |
| N8 | C36 | C40 | O7 | 15.6° | 24.4° |
| N8 | C36 | C40 | N10 | 167.0° | 155.6° |
| H56 | N8 | C36 | C37 | 93.0° | 133.4° |
| H56 | N8 | C36 | C40 | 30.4° | 13.7° |
| H56 | N8 | C36 | H57 | 146.5° | 105.9° |
| C37 | C36 | C40 | H57 | 127.2° | 120.6° |
| C36 | C37 | C38 | H58 | 121.6° | 120.1° |
| C36 | C37 | C38 | H59 | 121.6° | 119.9° |
| C36 | C37 | H58 | H59 | 114.8° | 120.0° |
| C36 | C37 | C38 | C39 | 153.1° | 175.7° |
| C36 | C37 | C38 | H60 | 32.9° | 64.3° |
| C36 | C37 | C38 | H61 | 86.6° | 55.7° |
| C37 | C36 | C40 | O7 | 100.3° | 144.1° |
| C37 | C36 | N8 | C32 | 87.0° | 46.6° |
| C37 | C36 | C40 | N10 | 77.1° | 35.9° |
| C40 | C36 | C37 | C38 | 1.4° | 61.6° |
| C40 | C36 | C37 | H58 | 123.1° | 58.5° |
| C40 | C36 | C37 | H59 | 120.1° | 178.5° |
| C36 | C40 | O7 | N10 | 177.2° | 180.0° |
| C36 | C40 | N10 | C41 | 146.4° | 177.7° |
| C36 | C40 | N10 | H66 | 33.6° | 2.4° |
| C40 | C36 | N8 | C32 | 149.6° | 166.3° |
| H57 | C36 | C37 | C38 | 126.0° | 177.8° |
| H57 | C36 | C37 | H58 | 4.4° | 62.2° |
| H57 | C36 | C37 | H59 | 112.4° | 57.8° |
| H57 | C36 | C40 | O7 | 132.5° | 95.2° |
| H57 | C36 | N8 | C32 | 33.5° | 74.0° |
| H57 | C36 | C40 | N10 | 50.1° | 84.8° |
| C38 | C37 | H58 | H59 | 114.8° | 120.0° |
| C37 | C38 | C39 | H60 | 120.2° | 120.0° |
| C37 | C38 | C39 | H61 | 120.3° | 120.0° |
| C37 | C38 | H60 | H61 | 119.2° | 120.1° |
| C37 | C38 | C39 | N9 | 155.4° | 180.0° |
| C37 | C38 | C39 | H62 | 34.8° | 60.0° |
| C37 | C38 | C39 | H63 | 84.0° | 60.0° |
| H58 | C37 | C38 | C39 | 85.2° | 55.6° |
| H58 | C37 | C38 | H60 | 154.5° | 175.6° |
| H58 | C37 | C38 | H61 | 35.0° | 64.3° |
| H59 | C37 | C38 | C39 | 31.5° | 64.4° |
| H59 | C37 | C38 | H60 | 88.7° | 55.6° |
| H59 | C37 | C38 | H61 | 151.8° | 175.7° |
| C39 | C38 | H60 | H61 | 119.2° | 119.9° |
| C38 | C39 | N9 | H62 | 120.6° | 120.0° |
| C38 | C39 | N9 | H63 | 120.6° | 120.0° |
| C38 | C39 | H62 | H63 | 118.2° | 120.0° |
| C38 | C39 | N9 | H64 | 180.0° | 180.0° |
| C38 | C39 | N9 | H65 | 60.0° | 56.0° |
| H60 | C38 | C39 | N9 | 84.3° | 60.0° |
| H60 | C38 | C39 | H62 | 155.1° | 180.0° |
| H60 | C38 | C39 | H63 | 36.3° | 60.0° |
| H61 | C38 | C39 | N9 | 35.2° | 60.0° |
| H61 | C38 | C39 | H62 | 85.4° | 60.0° |
| H61 | C38 | C39 | H63 | 155.8° | 180.0° |
| N9 | C39 | H62 | H63 | 118.2° | 120.0° |
| C39 | N9 | H64 | H65 | 120.0° | 124.0° |
| H62 | C39 | N9 | H64 | 59.4° | 60.0° |
| H62 | C39 | N9 | H65 | 179.4° | 176.0° |
| H63 | C39 | N9 | H64 | 59.4° | 60.0° |
| H63 | C39 | N9 | H65 | 60.6° | 64.0° |
| O7 | C40 | N10 | C41 | 36.2° | 2.3° |
| O7 | C40 | N10 | H66 | 143.8° | 177.6° |
| C41 | N10 | H66 | C40 | 180.0° | 180.0° |
| N10 | C41 | C42 | C43 | 113.9° | 119.9° |
| N10 | C41 | C42 | H67 | 120.1° | 119.9° |
| N10 | C41 | C43 | H67 | 130.1° | 120.3° |
| N10 | C41 | C42 | O8 | 57.3° | 49.4° |
| N10 | C41 | C43 | C44 | 54.8° | 65.0° |
| N10 | C41 | C43 | H68 | 66.7° | 54.9° |
| N10 | C41 | C43 | H69 | 176.4° | 175.0° |
| N10 | C41 | C42 | N11 | 110.1° | 130.6° |
| H66 | N10 | C41 | C42 | 19.1° | 27.3° |
| H66 | N10 | C41 | C43 | 129.9° | 92.5° |
| H66 | N10 | C41 | H67 | 100.9° | 147.2° |
| C42 | C41 | C43 | H67 | 126.9° | 120.1° |
| C41 | C42 | O8 | N11 | 165.6° | 180.0° |
| C42 | C41 | C43 | C44 | 157.8° | 175.4° |
| C42 | C41 | C43 | H68 | 36.3° | 64.7° |
| C42 | C41 | C43 | H69 | 80.7° | 55.4° |
| C41 | C42 | N11 | C47 | 179.5° | 180.0° |
| C41 | C42 | N11 | H77 | 0.5° | 0.1° |
| C42 | C41 | N10 | C40 | 160.9° | 152.7° |
| C43 | C41 | C42 | O8 | 56.6° | 70.5° |
| C41 | C43 | C44 | H68 | 121.5° | 120.0° |
| C41 | C43 | C44 | H69 | 121.6° | 120.0° |
| C41 | C43 | H68 | H69 | 115.1° | 120.1° |
| C41 | C43 | C44 | C45 | 168.0° | 175.0° |
| C41 | C43 | C44 | C46 | 70.7° | 65.0° |
| C41 | C43 | C44 | H70 | 49.1° | 55.0° |
| C43 | C41 | N10 | C40 | 50.1° | 87.4° |
| C43 | C41 | C42 | N11 | 136.0° | 109.5° |
| H67 | C41 | C42 | O8 | 177.4° | 169.4° |
| H67 | C41 | C43 | C44 | 75.4° | 55.3° |
| H67 | C41 | C43 | H68 | 163.1° | 175.2° |
| H67 | C41 | C43 | H69 | 46.2° | 64.8° |
| H67 | C41 | N10 | C40 | 79.1° | 32.8° |
| H67 | C41 | C42 | N11 | 10.0° | 10.6° |
| O8 | C42 | N11 | C47 | 13.1° | 0.1° |
| O8 | C42 | N11 | H77 | 166.9° | 179.9° |
| C44 | C43 | H68 | H69 | 115.1° | 120.0° |
| C43 | C44 | C45 | C46 | 119.4° | 120.0° |
| C43 | C44 | C45 | H70 | 119.0° | 120.0° |
| C43 | C44 | C46 | H70 | 119.7° | 120.0° |
| C43 | C44 | C45 | H71 | 180.0° | 60.0° |
| C43 | C44 | C45 | H72 | 60.0° | 180.0° |
| C43 | C44 | C45 | H73 | 60.0° | 60.0° |
| C43 | C44 | C46 | H74 | 180.0° | 60.0° |
| C43 | C44 | C46 | H75 | 60.0° | 60.0° |
| C43 | C44 | C46 | H76 | 60.0° | 180.0° |
| H68 | C43 | C44 | C45 | 46.5° | 55.0° |
| H68 | C43 | C44 | C46 | 167.8° | 175.0° |
| H68 | C43 | C44 | H70 | 72.4° | 65.0° |
| H69 | C43 | C44 | C45 | 70.4° | 65.0° |
| H69 | C43 | C44 | C46 | 50.8° | 55.0° |
| H69 | C43 | C44 | H70 | 170.7° | 175.0° |
| C45 | C44 | C46 | H70 | 121.5° | 120.0° |
| C44 | C45 | H71 | H72 | 120.0° | 120.0° |
| C44 | C45 | H71 | H73 | 120.0° | 120.0° |
| C44 | C45 | H72 | H73 | 120.0° | 120.0° |
| C45 | C44 | C46 | H74 | 61.2° | 60.1° |
| C45 | C44 | C46 | H75 | 58.8° | 180.0° |
| C45 | C44 | C46 | H76 | 178.8° | 60.0° |
| C46 | C44 | C45 | H71 | 60.6° | 60.0° |
| C46 | C44 | C45 | H72 | 179.4° | 60.0° |
| C46 | C44 | C45 | H73 | 59.4° | 180.0° |
| C44 | C46 | H74 | H75 | 120.0° | 120.0° |
| C44 | C46 | H74 | H76 | 120.0° | 120.0° |
| C44 | C46 | H75 | H76 | 120.0° | 120.0° |
| H70 | C44 | C45 | H71 | 61.0° | 180.0° |
| H70 | C44 | C45 | H72 | 59.0° | 60.0° |
| H70 | C44 | C45 | H73 | 179.0° | 60.0° |
| H70 | C44 | C46 | H74 | 60.3° | 179.9° |
| H70 | C44 | C46 | H75 | 179.7° | 60.0° |
| H70 | C44 | C46 | H76 | 59.8° | 60.0° |
| H71 | C45 | H72 | H73 | 120.0° | 120.0° |
| H74 | C46 | H75 | H76 | 120.0° | 120.0° |
| C47 | N11 | H77 | C42 | 180.0° | 180.0° |
| N11 | C47 | C48 | C49 | 124.5° | 119.9° |
| N11 | C47 | C48 | H78 | 115.8° | 119.9° |
| N11 | C47 | C49 | H78 | 117.9° | 120.3° |
| N11 | C47 | C48 | O9 | 31.1° | 6.7° |
| N11 | C47 | C49 | C50 | 144.9° | 37.8° |
| N11 | C47 | C49 | H79 | 94.8° | 157.9° |
| N11 | C47 | C49 | H80 | 24.6° | 82.1° |
| N11 | C47 | C48 | N12 | 178.4° | 173.3° |
| H77 | N11 | C47 | C48 | 121.8° | 40.7° |
| H77 | N11 | C47 | C49 | 7.1° | 79.1° |
| H77 | N11 | C47 | H78 | 124.0° | 160.6° |
| C48 | C47 | C49 | H78 | 119.2° | 120.2° |
| C47 | C48 | O9 | N12 | 147.9° | 180.0° |
| C48 | C47 | C49 | C50 | 92.1° | 157.3° |
| C48 | C47 | C49 | H79 | 28.2° | 82.6° |
| C48 | C47 | C49 | H80 | 147.5° | 37.4° |
| C47 | C48 | N12 | C56 | 172.6° | 179.2° |
| C47 | C48 | N12 | C60 | 19.0° | 1.1° |
| C48 | C47 | N11 | C42 | 58.1° | 139.2° |
| C49 | C47 | C48 | O9 | 93.5° | 126.6° |
| C47 | C49 | C50 | H79 | 120.3° | 120.0° |
| C47 | C49 | C50 | H80 | 120.3° | 119.9° |
| C47 | C49 | H79 | H80 | 119.0° | 120.0° |
| C47 | C49 | C50 | C51 | 67.9° | 90.1° |
| C47 | C49 | C50 | C52 | 88.7° | 90.3° |
| C49 | C47 | N11 | C42 | 172.9° | 100.9° |
| C49 | C47 | C48 | N12 | 57.1° | 53.4° |
| H78 | C47 | C48 | O9 | 146.9° | 113.2° |
| H78 | C47 | C49 | C50 | 27.0° | 82.5° |
| H78 | C47 | C49 | H79 | 147.3° | 37.6° |
| H78 | C47 | C49 | H80 | 93.3° | 157.6° |
| H78 | C47 | N11 | C42 | 56.0° | 19.3° |
| H78 | C47 | C48 | N12 | 62.5° | 66.8° |
| O9 | C48 | N12 | C56 | 23.4° | 0.8° |
| O9 | C48 | N12 | C60 | 168.2° | 178.9° |
| C50 | C49 | H79 | H80 | 119.0° | 120.0° |
| C49 | C50 | C51 | C52 | 155.3° | 179.7° |
| C49 | C50 | C51 | C53 | 168.2° | 180.0° |
| C49 | C50 | C51 | H81 | 11.8° | 0.1° |
| C49 | C50 | C52 | C54 | 170.1° | 180.0° |
| C49 | C50 | C52 | H82 | 9.9° | 0.0° |
| H79 | C49 | C50 | C51 | 171.8° | 30.0° |
| H79 | C49 | C50 | C52 | 31.6° | 149.7° |
| H80 | C49 | C50 | C51 | 52.5° | 150.0° |
| H80 | C49 | C50 | C52 | 151.0° | 29.7° |
| C50 | C51 | C53 | H81 | 180.0° | 180.0° |
| C51 | C50 | C52 | C54 | 13.0° | 0.3° |
| C51 | C50 | C52 | H82 | 167.0° | 179.7° |
| C50 | C51 | C53 | C55 | 6.6° | 0.1° |
| C50 | C51 | C53 | H83 | 173.4° | 179.9° |
| C52 | C50 | C51 | C53 | 12.9° | 0.3° |
| C52 | C50 | C51 | H81 | 167.1° | 179.7° |
| C50 | C52 | C54 | H82 | 180.0° | 180.0° |
| C50 | C52 | C54 | C55 | 6.3° | 0.0° |
| C50 | C52 | C54 | H84 | 173.7° | 180.0° |
| C51 | C53 | C55 | H83 | 180.0° | 180.0° |
| C51 | C53 | C55 | C54 | 0.2° | 0.2° |
| C51 | C53 | C55 | H85 | 179.8° | 180.0° |
| H81 | C51 | C53 | C55 | 173.4° | 180.0° |
| H81 | C51 | C53 | H83 | 6.6° | 0.0° |
| C52 | C54 | C55 | C53 | 0.1° | 0.2° |
| C52 | C54 | C55 | H84 | 180.0° | 180.0° |
| C52 | C54 | C55 | H85 | 180.0° | 180.0° |
| H82 | C52 | C54 | C55 | 173.6° | 179.9° |
| H82 | C52 | C54 | H84 | 6.4° | 0.0° |
| C53 | C55 | C54 | H85 | 180.0° | 179.8° |
| C53 | C55 | C54 | H84 | 179.9° | 179.7° |
| H83 | C53 | C55 | C54 | 179.8° | 179.8° |
| H83 | C53 | C55 | H85 | 0.2° | 0.0° |
| H84 | C54 | C55 | H85 | 0.1° | 0.1° |
| C56 | N12 | C60 | C48 | 168.3° | 179.7° |
| N12 | C56 | C57 | C58 | 117.4° | 118.4° |
| N12 | C56 | C57 | H86 | 124.3° | 121.3° |
| N12 | C56 | C58 | H86 | 115.5° | 119.6° |
| N12 | C56 | C57 | O10 | 144.4° | 36.6° |
| N12 | C56 | C58 | C59 | 32.4° | 9.6° |
| N12 | C56 | C58 | H87 | 151.4° | 128.8° |
| N12 | C56 | C58 | H88 | 86.7° | 109.5° |
| C56 | N12 | C60 | C59 | 8.2° | 19.2° |
| C56 | N12 | C60 | H91 | 110.8° | 138.7° |
| C56 | N12 | C60 | H92 | 127.3° | 100.3° |
| N12 | C56 | C57 | N1 | 52.5° | 142.9° |
| C60 | N12 | C56 | C57 | 107.0° | 101.4° |
| C60 | N12 | C56 | C58 | 14.1° | 18.0° |
| C60 | N12 | C56 | H86 | 129.0° | 137.4° |
| N12 | C60 | C59 | C58 | 29.5° | 12.6° |
| N12 | C60 | C59 | H91 | 119.0° | 119.6° |
| N12 | C60 | C59 | H92 | 119.0° | 119.6° |
| N12 | C60 | C59 | H89 | 89.9° | 131.8° |
| N12 | C60 | C59 | H90 | 148.9° | 106.5° |
| N12 | C60 | H91 | H92 | 122.8° | 120.9° |
| C57 | C56 | C58 | H86 | 118.6° | 120.5° |
| C56 | C57 | O10 | N1 | 161.0° | 179.5° |
| C57 | C56 | C58 | C59 | 93.6° | 110.3° |
| C57 | C56 | C58 | H87 | 25.4° | 9.0° |
| C57 | C56 | C58 | H88 | 147.3° | 130.6° |
| C57 | C56 | N12 | C48 | 65.0° | 78.9° |
| C58 | C56 | C57 | O10 | 27.0° | 81.8° |
| C56 | C58 | C59 | H87 | 119.0° | 119.2° |
| C56 | C58 | C59 | H88 | 119.1° | 119.1° |
| C56 | C58 | H87 | H88 | 122.8° | 121.6° |
| C56 | C58 | C59 | C60 | 38.4° | 1.8° |
| C56 | C58 | C59 | H89 | 81.1° | 120.9° |
| C56 | C58 | C59 | H90 | 157.8° | 117.3° |
| C58 | C56 | C57 | N1 | 169.9° | 98.7° |
| C58 | C56 | N12 | C48 | 173.9° | 161.7° |
| H86 | C56 | C57 | O10 | 91.3° | 157.9° |
| H86 | C56 | C58 | C59 | 147.8° | 129.3° |
| H86 | C56 | C58 | H87 | 93.1° | 111.5° |
| H86 | C56 | C58 | H88 | 28.8° | 10.1° |
| H86 | C56 | C57 | N1 | 71.8° | 21.6° |
| H86 | C56 | N12 | C48 | 59.1° | 42.3° |
| C59 | C58 | H87 | H88 | 122.7° | 121.6° |
| C58 | C59 | C60 | H89 | 119.4° | 119.1° |
| C58 | C59 | C60 | H90 | 119.4° | 119.1° |
| C58 | C59 | H89 | H90 | 121.7° | 121.7° |
| C58 | C59 | C60 | H91 | 89.5° | 132.2° |
| C58 | C59 | C60 | H92 | 148.5° | 107.0° |
| H87 | C58 | C59 | C60 | 157.4° | 117.4° |
| H87 | C58 | C59 | H89 | 38.0° | 1.7° |
| H87 | C58 | C59 | H90 | 83.2° | 123.5° |
| H88 | C58 | C59 | C60 | 80.7° | 120.9° |
| H88 | C58 | C59 | H89 | 159.9° | 119.9° |
| H88 | C58 | C59 | H90 | 38.7° | 1.8° |
| C60 | C59 | H89 | H90 | 121.7° | 121.7° |
| C59 | C60 | H91 | H92 | 122.8° | 120.9° |
| C59 | C60 | N12 | C48 | 160.1° | 160.5° |
| H89 | C59 | C60 | H91 | 151.1° | 108.7° |
| H89 | C59 | C60 | H92 | 29.1° | 12.2° |
| H90 | C59 | C60 | H91 | 29.9° | 13.1° |
| H90 | C59 | C60 | H92 | 92.1° | 133.9° |
| H91 | C60 | N12 | C48 | 80.9° | 41.0° |
| H92 | C60 | N12 | C48 | 41.1° | 79.9° |
