PRD_000326
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.49Å | 1.52Å | |
| C1 | C3 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | sing | 1.54Å | 1.47Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.50Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| N3 | C15 | sing | 1.48Å | 1.46Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | O4 | doub | 1.21Å | 1.25Å | |
| C19 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| N4 | C20 | sing | 1.48Å | 1.44Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.53Å | 1.47Å | |
| C20 | C30 | sing | 1.50Å | 1.51Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.47Å | 1.45Å | Aromatic |
| C22 | C26 | doub | 1.34Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C29 | sing | 1.37Å | 1.35Å | Aromatic |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | N5 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| N5 | C26 | sing | 1.37Å | 1.32Å | Aromatic |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | CL1 | sing | 1.74Å | 1.69Å | |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | O6 | doub | 1.21Å | 1.22Å | |
| N6 | C31 | sing | 1.48Å | 1.45Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.50Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | O7 | doub | 1.21Å | 1.24Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| N7 | C37 | sing | 1.48Å | 1.46Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | O8 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | doub | 1.21Å | 1.24Å | |
| C40 | O10 | sing | 1.34Å | 1.25Å | |
| O10 | H48 | sing | 0.97Å | 0.95Å | |
| N8 | C41 | sing | 1.48Å | 1.44Å | |
| N8 | H49 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.50Å | 1.51Å | |
| C41 | C43 | sing | 1.53Å | 1.55Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | O11 | doub | 1.21Å | 1.23Å | |
| C43 | C44 | sing | 1.51Å | 1.50Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | doub | 1.34Å | 1.37Å | Aromatic |
| C44 | C46 | sing | 1.47Å | 1.43Å | Aromatic |
| C45 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C45 | H53 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.41Å | 1.41Å | Aromatic |
| C46 | C48 | sing | 1.40Å | 1.41Å | Aromatic |
| N9 | C47 | sing | 1.38Å | 1.37Å | Aromatic |
| N9 | H54 | sing | 0.97Å | 1.00Å | |
| C47 | C49 | sing | 1.39Å | 1.40Å | Aromatic |
| C48 | C50 | doub | 1.37Å | 1.40Å | Aromatic |
| C48 | H55 | sing | 1.08Å | 1.08Å | |
| C49 | C51 | doub | 1.38Å | 1.37Å | Aromatic |
| C49 | H56 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | sing | 1.39Å | 1.40Å | Aromatic |
| C50 | H57 | sing | 1.08Å | 1.08Å | |
| C51 | H58 | sing | 1.08Å | 1.08Å | |
| N10 | C52 | sing | 1.48Å | 1.46Å | |
| N10 | H59 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.50Å | 1.52Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C52 | H60 | sing | 1.09Å | 1.10Å | |
| C53 | O12 | doub | 1.21Å | 1.24Å | |
| C54 | C55 | sing | 1.53Å | 1.51Å | |
| C54 | H61 | sing | 1.09Å | 1.10Å | |
| C54 | H62 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.51Å | 1.51Å | |
| C55 | H63 | sing | 1.09Å | 1.10Å | |
| C55 | H64 | sing | 1.09Å | 1.10Å | |
| C56 | O13 | doub | 1.21Å | 1.26Å | |
| C56 | O14 | sing | 1.34Å | 1.24Å | |
| O14 | H65 | sing | 0.97Å | 0.95Å | |
| N11 | C57 | sing | 1.48Å | 1.46Å | |
| N11 | H66 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.50Å | 1.52Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | H67 | sing | 1.09Å | 1.10Å | |
| C58 | O15 | doub | 1.21Å | 1.23Å | |
| C59 | C60 | sing | 1.51Å | 1.52Å | |
| C59 | H68 | sing | 1.09Å | 1.10Å | |
| C59 | H69 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | doub | 1.38Å | 1.40Å | Aromatic |
| C60 | C62 | sing | 1.38Å | 1.37Å | Aromatic |
| C61 | C63 | sing | 1.38Å | 1.38Å | Aromatic |
| C61 | H70 | sing | 1.08Å | 1.08Å | |
| C62 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C62 | H71 | sing | 1.08Å | 1.08Å | |
| C63 | C65 | doub | 1.38Å | 1.37Å | Aromatic |
| C63 | H72 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | sing | 1.38Å | 1.39Å | Aromatic |
| C64 | H73 | sing | 1.08Å | 1.08Å | |
| C65 | H74 | sing | 1.08Å | 1.08Å | |
| N12 | C66 | sing | 1.46Å | 1.48Å | |
| N12 | C69 | sing | 1.47Å | 1.45Å | |
| C66 | C67 | sing | 1.53Å | 1.46Å | |
| C66 | C70 | sing | 1.51Å | 1.53Å | |
| C66 | H75 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.54Å | 1.52Å | |
| C67 | H76 | sing | 1.09Å | 1.10Å | |
| C67 | H77 | sing | 1.09Å | 1.10Å | |
| C68 | C69 | sing | 1.53Å | 1.51Å | |
| C68 | H78 | sing | 1.09Å | 1.10Å | |
| C68 | H79 | sing | 1.09Å | 1.10Å | |
| C69 | H80 | sing | 1.09Å | 1.10Å | |
| C69 | H81 | sing | 1.09Å | 1.10Å | |
| C70 | O16 | doub | 1.21Å | 1.24Å | |
| N1 | C70 | sing | 1.35Å | 1.32Å | |
| C16 | N4 | sing | 1.36Å | 1.33Å | |
| C30 | N6 | sing | 1.36Å | 1.32Å | |
| C58 | N12 | sing | 1.35Å | 1.32Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| C7 | N3 | sing | 1.37Å | 1.33Å | |
| C32 | N7 | sing | 1.36Å | 1.32Å | |
| C38 | N8 | sing | 1.36Å | 1.33Å | |
| C42 | N10 | sing | 1.36Å | 1.34Å | |
| C53 | N11 | sing | 1.37Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C5 | 113.4° | 108.5° |
| N1 | C1 | C2 | 114.4° | 112.2° |
| N1 | C1 | C3 | 103.0° | 107.4° |
| N1 | C1 | H1 | 110.0° | 108.3° |
| C1 | N1 | C70 | 117.3° | 127.8° |
| N1 | C5 | C4 | 104.1° | 108.0° |
| N1 | C5 | H6 | 110.8° | 109.8° |
| N1 | C5 | H7 | 110.8° | 109.8° |
| C5 | N1 | C70 | 129.3° | 123.7° |
| C2 | C1 | C3 | 110.9° | 111.3° |
| C2 | C1 | H1 | 109.2° | 109.2° |
| C1 | C2 | O1 | 120.8° | 119.0° |
| C1 | C2 | N2 | 117.5° | 121.9° |
| C3 | C1 | H1 | 109.2° | 108.3° |
| C1 | C3 | C4 | 108.2° | 104.5° |
| C1 | C3 | H2 | 109.8° | 110.5° |
| C1 | C3 | H3 | 109.8° | 110.5° |
| O1 | C2 | N2 | 121.7° | 119.0° |
| C4 | C3 | H2 | 109.8° | 110.4° |
| C4 | C3 | H3 | 109.8° | 110.4° |
| C3 | C4 | C5 | 109.0° | 106.1° |
| C3 | C4 | H4 | 109.6° | 110.2° |
| C3 | C4 | H5 | 109.6° | 110.2° |
| H2 | C3 | H3 | 109.4° | 110.4° |
| C5 | C4 | H4 | 109.6° | 110.1° |
| C5 | C4 | H5 | 109.6° | 110.1° |
| C4 | C5 | H6 | 110.8° | 109.8° |
| C4 | C5 | H7 | 110.8° | 109.7° |
| H4 | C4 | H5 | 109.5° | 110.1° |
| H6 | C5 | H7 | 109.4° | 109.7° |
| C6 | N2 | H8 | 119.5° | 121.7° |
| N2 | C6 | C7 | 109.1° | 111.9° |
| N2 | C6 | C8 | 110.2° | 109.0° |
| N2 | C6 | H9 | 109.1° | 109.0° |
| C6 | N2 | C2 | 121.0° | 116.6° |
| H8 | N2 | C2 | 119.5° | 121.7° |
| C7 | C6 | C8 | 111.8° | 109.0° |
| C7 | C6 | H9 | 108.4° | 109.0° |
| C6 | C7 | O2 | 121.4° | 122.1° |
| C6 | C7 | N3 | 116.8° | 116.0° |
| C8 | C6 | H9 | 108.2° | 109.0° |
| C6 | C8 | C9 | 111.5° | 109.4° |
| C6 | C8 | H10 | 109.0° | 109.5° |
| C6 | C8 | H11 | 109.0° | 109.5° |
| O2 | C7 | N3 | 121.8° | 122.0° |
| C9 | C8 | H10 | 109.0° | 109.4° |
| C9 | C8 | H11 | 109.0° | 109.5° |
| C8 | C9 | C10 | 121.0° | 120.0° |
| C8 | C9 | C11 | 119.2° | 120.0° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| C10 | C9 | C11 | 119.8° | 120.0° |
| C9 | C10 | C12 | 120.2° | 120.0° |
| C9 | C10 | H12 | 119.9° | 120.0° |
| C9 | C11 | C13 | 119.3° | 120.0° |
| C9 | C11 | H13 | 120.3° | 120.0° |
| C12 | C10 | H12 | 119.9° | 120.0° |
| C10 | C12 | C14 | 120.0° | 120.0° |
| C10 | C12 | H14 | 120.0° | 120.0° |
| C13 | C11 | H13 | 120.4° | 120.0° |
| C11 | C13 | C14 | 120.3° | 120.0° |
| C11 | C13 | H15 | 119.8° | 120.0° |
| C14 | C12 | H14 | 120.0° | 120.0° |
| C12 | C14 | C13 | 120.3° | 120.0° |
| C12 | C14 | H16 | 119.9° | 120.0° |
| C14 | C13 | H15 | 119.9° | 120.0° |
| C13 | C14 | H16 | 119.9° | 120.0° |
| C15 | N3 | H17 | 117.5° | 121.8° |
| N3 | C15 | C16 | 110.7° | 107.8° |
| N3 | C15 | C17 | 110.4° | 109.8° |
| N3 | C15 | H18 | 109.6° | 109.8° |
| C15 | N3 | C7 | 125.0° | 116.6° |
| H17 | N3 | C7 | 117.5° | 121.6° |
| C16 | C15 | C17 | 108.8° | 109.8° |
| C16 | C15 | H18 | 108.7° | 109.8° |
| C15 | C16 | O3 | 117.8° | 119.9° |
| C15 | C16 | N4 | 119.4° | 120.2° |
| C17 | C15 | H18 | 108.6° | 109.9° |
| C15 | C17 | C18 | 117.1° | 109.5° |
| C15 | C17 | H19 | 107.5° | 109.4° |
| C15 | C17 | H20 | 107.5° | 109.5° |
| O3 | C16 | N4 | 122.8° | 119.9° |
| C18 | C17 | H19 | 107.5° | 109.5° |
| C18 | C17 | H20 | 107.5° | 109.5° |
| C17 | C18 | C19 | 110.3° | 109.5° |
| C17 | C18 | H21 | 109.2° | 109.5° |
| C17 | C18 | H22 | 109.3° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| C19 | C18 | H21 | 109.3° | 109.5° |
| C19 | C18 | H22 | 109.3° | 109.5° |
| C18 | C19 | O4 | 117.7° | 120.0° |
| C18 | C19 | O5 | 116.9° | 120.0° |
| H21 | C18 | H22 | 109.4° | 109.4° |
| O4 | C19 | O5 | 125.3° | 120.0° |
| C19 | O5 | H23 | 109.5° | 117.0° |
| C20 | N4 | H24 | 119.8° | 121.8° |
| N4 | C20 | C21 | 106.4° | 109.5° |
| N4 | C20 | C30 | 108.2° | 109.2° |
| N4 | C20 | H25 | 112.4° | 109.5° |
| C20 | N4 | C16 | 120.5° | 116.4° |
| H24 | N4 | C16 | 119.7° | 121.8° |
| C21 | C20 | C30 | 106.3° | 109.6° |
| C21 | C20 | H25 | 111.9° | 109.5° |
| C20 | C21 | C22 | 118.9° | 109.5° |
| C20 | C21 | H26 | 107.1° | 109.5° |
| C20 | C21 | H27 | 107.1° | 109.5° |
| C30 | C20 | H25 | 111.3° | 109.6° |
| C20 | C30 | O6 | 118.9° | 119.9° |
| C20 | C30 | N6 | 115.3° | 120.2° |
| C22 | C21 | H26 | 107.1° | 109.5° |
| C22 | C21 | H27 | 107.1° | 109.5° |
| C21 | C22 | C23 | 129.9° | 126.5° |
| C21 | C22 | C26 | 126.7° | 126.5° |
| H26 | C21 | H27 | 109.4° | 109.4° |
| C23 | C22 | C26 | 103.4° | 107.0° |
| C22 | C23 | C24 | 135.0° | 134.0° |
| C22 | C23 | C25 | 107.2° | 106.0° |
| C22 | C26 | N5 | 112.8° | 109.9° |
| C22 | C26 | H30 | 123.6° | 125.0° |
| C24 | C23 | C25 | 117.7° | 120.0° |
| C23 | C24 | C29 | 119.2° | 119.8° |
| C23 | C24 | H28 | 120.4° | 120.1° |
| C23 | C25 | N5 | 107.8° | 107.2° |
| C23 | C25 | C27 | 123.7° | 119.3° |
| C29 | C24 | H28 | 120.4° | 120.1° |
| C24 | C29 | C28 | 122.2° | 120.5° |
| C24 | C29 | H32 | 118.9° | 119.8° |
| N5 | C25 | C27 | 128.5° | 133.5° |
| C25 | N5 | C26 | 108.7° | 109.9° |
| C25 | N5 | H29 | 125.7° | 125.1° |
| C25 | C27 | C28 | 114.8° | 119.8° |
| C25 | C27 | H31 | 122.6° | 120.1° |
| C26 | N5 | H29 | 125.7° | 125.0° |
| N5 | C26 | H30 | 123.6° | 125.1° |
| C28 | C27 | H31 | 122.6° | 120.1° |
| C27 | C28 | CL1 | 118.1° | 119.7° |
| C27 | C28 | C29 | 122.2° | 120.7° |
| CL1 | C28 | C29 | 119.1° | 119.7° |
| C28 | C29 | H32 | 118.9° | 119.8° |
| O6 | C30 | N6 | 125.8° | 119.9° |
| C31 | N6 | H33 | 119.0° | 122.3° |
| N6 | C31 | C32 | 108.8° | 109.2° |
| N6 | C31 | C33 | 107.3° | 109.5° |
| N6 | C31 | H34 | 108.7° | 109.5° |
| C31 | N6 | C30 | 121.9° | 115.3° |
| H33 | N6 | C30 | 119.1° | 122.4° |
| C32 | C31 | C33 | 116.4° | 109.5° |
| C32 | C31 | H34 | 107.7° | 109.5° |
| C31 | C32 | O7 | 120.4° | 120.1° |
| C31 | C32 | N7 | 116.9° | 119.8° |
| C33 | C31 | H34 | 107.8° | 109.6° |
| C31 | C33 | C34 | 115.7° | 109.5° |
| C31 | C33 | H35 | 107.9° | 109.4° |
| C31 | C33 | H36 | 107.9° | 109.5° |
| O7 | C32 | N7 | 122.7° | 120.1° |
| C34 | C33 | H35 | 107.9° | 109.5° |
| C34 | C33 | H36 | 107.9° | 109.5° |
| C33 | C34 | C35 | 111.4° | 109.5° |
| C33 | C34 | C36 | 109.3° | 109.5° |
| C33 | C34 | H37 | 108.1° | 109.5° |
| H35 | C33 | H36 | 109.4° | 109.5° |
| C35 | C34 | C36 | 111.5° | 109.4° |
| C35 | C34 | H37 | 108.3° | 109.5° |
| C34 | C35 | H38 | 109.5° | 109.5° |
| C34 | C35 | H39 | 109.5° | 109.5° |
| C34 | C35 | H40 | 109.5° | 109.5° |
| C36 | C34 | H37 | 108.1° | 109.4° |
| C34 | C36 | H41 | 109.5° | 109.5° |
| C34 | C36 | H42 | 109.5° | 109.5° |
| C34 | C36 | H43 | 109.5° | 109.5° |
| H38 | C35 | H39 | 109.4° | 109.5° |
| H38 | C35 | H40 | 109.5° | 109.5° |
| H39 | C35 | H40 | 109.5° | 109.4° |
| H41 | C36 | H42 | 109.5° | 109.5° |
| H41 | C36 | H43 | 109.4° | 109.5° |
| H42 | C36 | H43 | 109.5° | 109.4° |
| C37 | N7 | H44 | 118.6° | 121.8° |
| N7 | C37 | C38 | 116.0° | 109.1° |
| N7 | C37 | C39 | 109.2° | 109.5° |
| N7 | C37 | H45 | 109.3° | 109.5° |
| C37 | N7 | C32 | 122.7° | 116.4° |
| H44 | N7 | C32 | 118.7° | 121.8° |
| C38 | C37 | C39 | 105.3° | 109.5° |
| C38 | C37 | H45 | 108.6° | 109.6° |
| C37 | C38 | O8 | 118.2° | 120.4° |
| C37 | C38 | N8 | 117.9° | 119.3° |
| C39 | C37 | H45 | 108.1° | 109.6° |
| C37 | C39 | C40 | 108.0° | 109.4° |
| C37 | C39 | H46 | 109.9° | 109.5° |
| C37 | C39 | H47 | 109.9° | 109.5° |
| O8 | C38 | N8 | 123.9° | 120.4° |
| C40 | C39 | H46 | 109.8° | 109.5° |
| C40 | C39 | H47 | 109.8° | 109.5° |
| C39 | C40 | O9 | 114.6° | 120.0° |
| C39 | C40 | O10 | 118.6° | 120.0° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| O9 | C40 | O10 | 126.8° | 120.0° |
| C40 | O10 | H48 | 109.5° | 117.0° |
| C41 | N8 | H49 | 119.7° | 122.3° |
| N8 | C41 | C42 | 114.4° | 108.5° |
| N8 | C41 | C43 | 109.2° | 109.6° |
| N8 | C41 | H50 | 108.7° | 109.7° |
| C41 | N8 | C38 | 120.6° | 115.4° |
| H49 | N8 | C38 | 119.7° | 122.3° |
| C42 | C41 | C43 | 109.0° | 109.6° |
| C42 | C41 | H50 | 107.9° | 109.6° |
| C41 | C42 | O11 | 120.4° | 119.4° |
| C41 | C42 | N10 | 114.4° | 121.3° |
| C43 | C41 | H50 | 107.4° | 109.8° |
| C41 | C43 | C44 | 112.0° | 109.4° |
| C41 | C43 | H51 | 108.9° | 109.5° |
| C41 | C43 | H52 | 108.8° | 109.5° |
| O11 | C42 | N10 | 125.2° | 119.3° |
| C44 | C43 | H51 | 108.9° | 109.5° |
| C44 | C43 | H52 | 108.9° | 109.5° |
| C43 | C44 | C45 | 125.1° | 126.5° |
| C43 | C44 | C46 | 127.2° | 126.5° |
| H51 | C43 | H52 | 109.5° | 109.5° |
| C45 | C44 | C46 | 107.7° | 107.0° |
| C44 | C45 | N9 | 108.5° | 109.9° |
| C44 | C45 | H53 | 125.8° | 125.1° |
| C44 | C46 | C47 | 106.7° | 106.0° |
| C44 | C46 | C48 | 134.7° | 134.0° |
| N9 | C45 | H53 | 125.7° | 125.0° |
| C45 | N9 | C47 | 109.6° | 109.9° |
| C45 | N9 | H54 | 125.2° | 125.1° |
| C47 | C46 | C48 | 118.6° | 119.9° |
| C46 | C47 | N9 | 107.4° | 107.1° |
| C46 | C47 | C49 | 124.0° | 119.3° |
| C46 | C48 | C50 | 116.9° | 119.8° |
| C46 | C48 | H55 | 121.5° | 120.1° |
| C47 | N9 | H54 | 125.2° | 125.0° |
| N9 | C47 | C49 | 128.6° | 133.6° |
| C47 | C49 | C51 | 116.2° | 119.8° |
| C47 | C49 | H56 | 121.9° | 120.1° |
| C50 | C48 | H55 | 121.6° | 120.1° |
| C48 | C50 | C51 | 122.8° | 120.5° |
| C48 | C50 | H57 | 118.6° | 119.7° |
| C51 | C49 | H56 | 121.9° | 120.1° |
| C49 | C51 | C50 | 121.5° | 120.7° |
| C49 | C51 | H58 | 119.2° | 119.7° |
| C51 | C50 | H57 | 118.6° | 119.8° |
| C50 | C51 | H58 | 119.3° | 119.7° |
| C52 | N10 | H59 | 120.3° | 122.0° |
| N10 | C52 | C53 | 107.7° | 109.7° |
| N10 | C52 | C54 | 114.7° | 109.4° |
| N10 | C52 | H60 | 109.8° | 109.4° |
| C52 | N10 | C42 | 119.3° | 116.1° |
| H59 | N10 | C42 | 120.4° | 122.0° |
| C53 | C52 | C54 | 106.9° | 109.5° |
| C53 | C52 | H60 | 108.9° | 109.4° |
| C52 | C53 | O12 | 118.2° | 120.2° |
| C52 | C53 | N11 | 113.8° | 119.6° |
| C54 | C52 | H60 | 108.7° | 109.4° |
| C52 | C54 | C55 | 112.4° | 109.5° |
| C52 | C54 | H61 | 108.8° | 109.4° |
| C52 | C54 | H62 | 108.7° | 109.4° |
| O12 | C53 | N11 | 128.0° | 120.2° |
| C55 | C54 | H61 | 108.7° | 109.5° |
| C55 | C54 | H62 | 108.8° | 109.5° |
| C54 | C55 | C56 | 113.3° | 109.5° |
| C54 | C55 | H63 | 108.5° | 109.5° |
| C54 | C55 | H64 | 108.5° | 109.5° |
| H61 | C54 | H62 | 109.4° | 109.4° |
| C56 | C55 | H63 | 108.5° | 109.5° |
| C56 | C55 | H64 | 108.5° | 109.4° |
| C55 | C56 | O13 | 116.8° | 120.0° |
| C55 | C56 | O14 | 121.1° | 120.0° |
| H63 | C55 | H64 | 109.5° | 109.5° |
| O13 | C56 | O14 | 122.0° | 120.0° |
| C56 | O14 | H65 | 109.5° | 117.0° |
| C57 | N11 | H66 | 118.5° | 122.5° |
| N11 | C57 | C58 | 108.2° | 110.2° |
| N11 | C57 | C59 | 110.3° | 109.3° |
| N11 | C57 | H67 | 109.5° | 109.4° |
| C57 | N11 | C53 | 122.9° | 115.0° |
| H66 | N11 | C53 | 118.5° | 122.5° |
| C58 | C57 | C59 | 111.4° | 109.3° |
| C58 | C57 | H67 | 108.7° | 109.4° |
| C57 | C58 | O15 | 119.3° | 120.7° |
| C57 | C58 | N12 | 117.4° | 118.7° |
| C59 | C57 | H67 | 108.7° | 109.2° |
| C57 | C59 | C60 | 112.5° | 109.4° |
| C57 | C59 | H68 | 108.7° | 109.4° |
| C57 | C59 | H69 | 108.7° | 109.4° |
| O15 | C58 | N12 | 123.2° | 120.7° |
| C60 | C59 | H68 | 108.7° | 109.5° |
| C60 | C59 | H69 | 108.7° | 109.5° |
| C59 | C60 | C61 | 118.9° | 120.0° |
| C59 | C60 | C62 | 123.5° | 120.0° |
| H68 | C59 | H69 | 109.4° | 109.5° |
| C61 | C60 | C62 | 117.6° | 120.0° |
| C60 | C61 | C63 | 119.0° | 120.0° |
| C60 | C61 | H70 | 120.5° | 120.1° |
| C60 | C62 | C64 | 122.8° | 120.0° |
| C60 | C62 | H71 | 118.6° | 120.0° |
| C63 | C61 | H70 | 120.5° | 120.0° |
| C61 | C63 | C65 | 123.5° | 120.0° |
| C61 | C63 | H72 | 118.3° | 120.0° |
| C64 | C62 | H71 | 118.6° | 120.0° |
| C62 | C64 | C65 | 119.8° | 120.0° |
| C62 | C64 | H73 | 120.1° | 120.0° |
| C65 | C63 | H72 | 118.3° | 120.0° |
| C63 | C65 | C64 | 117.3° | 120.0° |
| C63 | C65 | H74 | 121.4° | 120.0° |
| C65 | C64 | H73 | 120.1° | 120.0° |
| C64 | C65 | H74 | 121.4° | 120.0° |
| C66 | N12 | C69 | 110.5° | 109.1° |
| N12 | C66 | C67 | 107.9° | 108.2° |
| N12 | C66 | C70 | 108.0° | 111.8° |
| N12 | C66 | H75 | 110.2° | 109.7° |
| C66 | N12 | C58 | 118.8° | 126.8° |
| N12 | C69 | C68 | 105.7° | 108.1° |
| N12 | C69 | H80 | 110.4° | 109.8° |
| N12 | C69 | H81 | 110.4° | 109.8° |
| C69 | N12 | C58 | 130.5° | 124.0° |
| C67 | C66 | C70 | 110.9° | 109.0° |
| C67 | C66 | H75 | 110.4° | 109.2° |
| C66 | C67 | C68 | 106.7° | 106.6° |
| C66 | C67 | H76 | 110.2° | 110.1° |
| C66 | C67 | H77 | 110.2° | 110.1° |
| C70 | C66 | H75 | 109.5° | 108.9° |
| C66 | C70 | O16 | 121.8° | 120.9° |
| C66 | C70 | N1 | 115.7° | 117.9° |
| C68 | C67 | H76 | 110.2° | 110.0° |
| C68 | C67 | H77 | 110.1° | 110.0° |
| C67 | C68 | C69 | 106.8° | 105.3° |
| C67 | C68 | H78 | 110.1° | 110.3° |
| C67 | C68 | H79 | 110.1° | 110.3° |
| H76 | C67 | H77 | 109.5° | 110.0° |
| C69 | C68 | H78 | 110.1° | 110.2° |
| C69 | C68 | H79 | 110.1° | 110.2° |
| C68 | C69 | H80 | 110.4° | 109.7° |
| C68 | C69 | H81 | 110.4° | 109.8° |
| H78 | C68 | H79 | 109.5° | 110.4° |
| H80 | C69 | H81 | 109.5° | 109.7° |
| O16 | C70 | N1 | 122.5° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C5 | C70 | 177.6° | 179.7° |
| N1 | C1 | C2 | C3 | 115.9° | 120.4° |
| N1 | C1 | C2 | H1 | 123.8° | 120.1° |
| N1 | C1 | C3 | H1 | 116.9° | 116.8° |
| N1 | C1 | C2 | O1 | 176.5° | 30.1° |
| N1 | C1 | C3 | C4 | 15.0° | 23.3° |
| N1 | C1 | C3 | H2 | 134.8° | 95.4° |
| N1 | C1 | C3 | H3 | 104.9° | 142.1° |
| C1 | N1 | C5 | C4 | 8.0° | 12.8° |
| C1 | N1 | C5 | H6 | 127.1° | 106.8° |
| C1 | N1 | C5 | H7 | 111.2° | 132.4° |
| C1 | N1 | C70 | C66 | 177.6° | 176.4° |
| C1 | N1 | C70 | O16 | 2.9° | 3.7° |
| N1 | C1 | C2 | N2 | 2.2° | 149.9° |
| C5 | N1 | C1 | C2 | 106.1° | 145.4° |
| C5 | N1 | C1 | C3 | 14.3° | 22.8° |
| C5 | N1 | C1 | H1 | 130.5° | 94.0° |
| N1 | C5 | C4 | C3 | 2.2° | 2.1° |
| N1 | C5 | C4 | H6 | 119.2° | 119.7° |
| N1 | C5 | C4 | H7 | 119.1° | 119.7° |
| N1 | C5 | C4 | H4 | 117.7° | 121.3° |
| N1 | C5 | C4 | H5 | 122.1° | 117.2° |
| N1 | C5 | H6 | H7 | 122.5° | 120.8° |
| C5 | N1 | C70 | C66 | 0.0° | 3.3° |
| C5 | N1 | C70 | O16 | 179.5° | 176.6° |
| C2 | C1 | C3 | H1 | 120.4° | 120.1° |
| C1 | C2 | O1 | N2 | 178.7° | 180.0° |
| C2 | C1 | C3 | C4 | 107.8° | 146.5° |
| C2 | C1 | C3 | H2 | 12.0° | 27.7° |
| C2 | C1 | C3 | H3 | 132.4° | 94.7° |
| C1 | C2 | N2 | C6 | 179.4° | 143.3° |
| C1 | C2 | N2 | H8 | 0.6° | 36.7° |
| C2 | C1 | N1 | C70 | 75.9° | 34.9° |
| C3 | C1 | C2 | O1 | 67.6° | 150.5° |
| C1 | C3 | C4 | H2 | 119.8° | 118.8° |
| C1 | C3 | C4 | H3 | 119.8° | 118.8° |
| C1 | C3 | H2 | H3 | 120.6° | 122.5° |
| C1 | C3 | C4 | C5 | 11.0° | 15.2° |
| C1 | C3 | C4 | H4 | 109.0° | 134.3° |
| C1 | C3 | C4 | H5 | 130.9° | 104.0° |
| C3 | C1 | N1 | C70 | 163.7° | 157.5° |
| C3 | C1 | C2 | N2 | 113.6° | 29.5° |
| H1 | C1 | C2 | O1 | 52.7° | 90.0° |
| H1 | C1 | C3 | C4 | 131.8° | 93.4° |
| H1 | C1 | C3 | H2 | 108.4° | 147.8° |
| H1 | C1 | C3 | H3 | 12.0° | 25.3° |
| H1 | C1 | N1 | C70 | 47.4° | 85.7° |
| H1 | C1 | C2 | N2 | 126.0° | 90.1° |
| O1 | C2 | N2 | C6 | 1.9° | 36.7° |
| O1 | C2 | N2 | H8 | 178.1° | 143.3° |
| C4 | C3 | H2 | H3 | 120.6° | 122.4° |
| C3 | C4 | C5 | H4 | 119.9° | 119.2° |
| C3 | C4 | C5 | H5 | 119.9° | 119.2° |
| C3 | C4 | H4 | H5 | 120.2° | 121.7° |
| C3 | C4 | C5 | H6 | 116.9° | 121.7° |
| C3 | C4 | C5 | H7 | 121.4° | 117.6° |
| H2 | C3 | C4 | C5 | 130.8° | 103.6° |
| H2 | C3 | C4 | H4 | 10.9° | 15.5° |
| H2 | C3 | C4 | H5 | 109.3° | 137.2° |
| H3 | C3 | C4 | C5 | 108.9° | 134.0° |
| H3 | C3 | C4 | H4 | 131.2° | 106.9° |
| H3 | C3 | C4 | H5 | 11.0° | 14.8° |
| C5 | C4 | H4 | H5 | 120.2° | 121.6° |
| C4 | C5 | H6 | H7 | 122.5° | 120.6° |
| C4 | C5 | N1 | C70 | 169.7° | 167.4° |
| H4 | C4 | C5 | H6 | 123.1° | 119.1° |
| H4 | C4 | C5 | H7 | 1.4° | 1.6° |
| H5 | C4 | C5 | H6 | 3.0° | 2.5° |
| H5 | C4 | C5 | H7 | 118.7° | 123.1° |
| H6 | C5 | N1 | C70 | 50.5° | 72.9° |
| H7 | C5 | N1 | C70 | 71.2° | 47.8° |
| C6 | N2 | H8 | C2 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 122.1° | 120.6° |
| N2 | C6 | C7 | H9 | 118.7° | 120.6° |
| N2 | C6 | C8 | H9 | 119.2° | 118.9° |
| N2 | C6 | C7 | O2 | 66.4° | 6.1° |
| N2 | C6 | C8 | C9 | 179.4° | 65.0° |
| N2 | C6 | C8 | H10 | 60.3° | 54.9° |
| N2 | C6 | C8 | H11 | 59.1° | 175.0° |
| N2 | C6 | C7 | N3 | 111.4° | 173.8° |
| H8 | N2 | C6 | C7 | 84.5° | 55.1° |
| H8 | N2 | C6 | C8 | 38.5° | 65.5° |
| H8 | N2 | C6 | H9 | 157.2° | 175.7° |
| C7 | C6 | C8 | H9 | 119.3° | 118.8° |
| C6 | C7 | O2 | N3 | 177.7° | 180.0° |
| C7 | C6 | C8 | C9 | 58.0° | 172.7° |
| C7 | C6 | C8 | H10 | 178.3° | 67.4° |
| C7 | C6 | C8 | H11 | 62.3° | 52.7° |
| C6 | C7 | N3 | C15 | 176.0° | 177.5° |
| C6 | C7 | N3 | H17 | 4.0° | 2.5° |
| C7 | C6 | N2 | C2 | 95.5° | 124.9° |
| C8 | C6 | C7 | O2 | 55.6° | 126.8° |
| C6 | C8 | C9 | H10 | 120.3° | 119.9° |
| C6 | C8 | C9 | H11 | 120.3° | 120.0° |
| C6 | C8 | H10 | H11 | 119.1° | 120.1° |
| C6 | C8 | C9 | C10 | 63.3° | 90.0° |
| C6 | C8 | C9 | C11 | 116.7° | 90.3° |
| C8 | C6 | N2 | C2 | 141.5° | 114.6° |
| C8 | C6 | C7 | N3 | 126.5° | 53.2° |
| H9 | C6 | C7 | O2 | 174.9° | 114.4° |
| H9 | C6 | C8 | C9 | 61.3° | 53.9° |
| H9 | C6 | C8 | H10 | 59.0° | 173.8° |
| H9 | C6 | C8 | H11 | 178.3° | 66.1° |
| H9 | C6 | N2 | C2 | 22.8° | 4.3° |
| H9 | C6 | C7 | N3 | 7.3° | 65.6° |
| O2 | C7 | N3 | C15 | 6.2° | 2.5° |
| O2 | C7 | N3 | H17 | 173.8° | 177.5° |
| C9 | C8 | H10 | H11 | 119.1° | 120.0° |
| C8 | C9 | C10 | C11 | 180.0° | 179.6° |
| C8 | C9 | C10 | C12 | 179.6° | 180.0° |
| C8 | C9 | C10 | H12 | 0.4° | 0.1° |
| C8 | C9 | C11 | C13 | 179.1° | 180.0° |
| C8 | C9 | C11 | H13 | 0.9° | 0.1° |
| H10 | C8 | C9 | C10 | 57.0° | 29.9° |
| H10 | C8 | C9 | C11 | 123.0° | 149.7° |
| H11 | C8 | C9 | C10 | 176.4° | 150.0° |
| H11 | C8 | C9 | C11 | 3.6° | 29.7° |
| C9 | C10 | C12 | H12 | 180.0° | 179.9° |
| C10 | C9 | C11 | C13 | 0.9° | 0.3° |
| C10 | C9 | C11 | H13 | 179.1° | 179.7° |
| C9 | C10 | C12 | C14 | 0.6° | 0.1° |
| C9 | C10 | C12 | H14 | 179.4° | 180.0° |
| C11 | C9 | C10 | C12 | 0.3° | 0.4° |
| C11 | C9 | C10 | H12 | 179.7° | 179.7° |
| C9 | C11 | C13 | H13 | 180.0° | 180.0° |
| C9 | C11 | C13 | C14 | 0.4° | 0.0° |
| C9 | C11 | C13 | H15 | 179.5° | 180.0° |
| C10 | C12 | C14 | H14 | 180.0° | 180.0° |
| C10 | C12 | C14 | C13 | 1.0° | 0.2° |
| C10 | C12 | C14 | H16 | 178.9° | 180.0° |
| H12 | C10 | C12 | C14 | 179.4° | 180.0° |
| H12 | C10 | C12 | H14 | 0.6° | 0.1° |
| C11 | C13 | C14 | C12 | 0.5° | 0.3° |
| C11 | C13 | C14 | H15 | 180.0° | 180.0° |
| C11 | C13 | C14 | H16 | 179.5° | 180.0° |
| H13 | C11 | C13 | C14 | 179.5° | 180.0° |
| H13 | C11 | C13 | H15 | 0.5° | 0.0° |
| C12 | C14 | C13 | H16 | 180.0° | 179.8° |
| C12 | C14 | C13 | H15 | 179.5° | 179.8° |
| H14 | C12 | C14 | C13 | 179.0° | 179.7° |
| H14 | C12 | C14 | H16 | 1.1° | 0.0° |
| H15 | C13 | C14 | H16 | 0.5° | 0.0° |
| C15 | N3 | H17 | C7 | 180.0° | 179.9° |
| N3 | C15 | C16 | C17 | 121.5° | 119.6° |
| N3 | C15 | C16 | H18 | 120.4° | 119.5° |
| N3 | C15 | C17 | H18 | 120.1° | 120.8° |
| N3 | C15 | C16 | O3 | 44.3° | 21.5° |
| N3 | C15 | C17 | C18 | 50.6° | 54.4° |
| N3 | C15 | C17 | H19 | 70.5° | 174.4° |
| N3 | C15 | C17 | H20 | 171.7° | 65.6° |
| N3 | C15 | C16 | N4 | 136.6° | 158.5° |
| H17 | N3 | C15 | C16 | 90.3° | 26.4° |
| H17 | N3 | C15 | C17 | 30.3° | 146.0° |
| H17 | N3 | C15 | H18 | 149.8° | 93.1° |
| C16 | C15 | C17 | H18 | 118.2° | 120.9° |
| C15 | C16 | O3 | N4 | 179.1° | 180.0° |
| C16 | C15 | C17 | C18 | 172.3° | 63.9° |
| C16 | C15 | C17 | H19 | 51.2° | 56.0° |
| C16 | C15 | C17 | H20 | 66.6° | 176.1° |
| C15 | C16 | N4 | C20 | 178.5° | 177.6° |
| C15 | C16 | N4 | H24 | 1.5° | 2.3° |
| C16 | C15 | N3 | C7 | 89.7° | 153.5° |
| C17 | C15 | C16 | O3 | 77.2° | 141.1° |
| C15 | C17 | C18 | H19 | 121.1° | 120.0° |
| C15 | C17 | C18 | H20 | 121.1° | 120.0° |
| C15 | C17 | H19 | H20 | 116.6° | 120.0° |
| C15 | C17 | C18 | C19 | 142.2° | 179.3° |
| C15 | C17 | C18 | H21 | 22.0° | 60.7° |
| C15 | C17 | C18 | H22 | 97.7° | 59.2° |
| C17 | C15 | C16 | N4 | 101.9° | 38.9° |
| C17 | C15 | N3 | C7 | 149.7° | 34.0° |
| H18 | C15 | C16 | O3 | 164.7° | 98.0° |
| H18 | C15 | C17 | C18 | 69.5° | 175.2° |
| H18 | C15 | C17 | H19 | 169.4° | 64.8° |
| H18 | C15 | C17 | H20 | 51.6° | 55.2° |
| H18 | C15 | C16 | N4 | 16.2° | 82.0° |
| H18 | C15 | N3 | C7 | 30.1° | 86.9° |
| O3 | C16 | N4 | C20 | 2.5° | 2.4° |
| O3 | C16 | N4 | H24 | 177.6° | 177.7° |
| C18 | C17 | H19 | H20 | 116.5° | 120.0° |
| C17 | C18 | C19 | H21 | 120.1° | 120.1° |
| C17 | C18 | C19 | H22 | 120.1° | 120.0° |
| C17 | C18 | H21 | H22 | 119.6° | 120.0° |
| C17 | C18 | C19 | O4 | 45.1° | 0.0° |
| C17 | C18 | C19 | O5 | 134.0° | 180.0° |
| H19 | C17 | C18 | C19 | 96.7° | 59.3° |
| H19 | C17 | C18 | H21 | 143.1° | 179.3° |
| H19 | C17 | C18 | H22 | 23.4° | 60.7° |
| H20 | C17 | C18 | C19 | 21.1° | 60.7° |
| H20 | C17 | C18 | H21 | 99.1° | 59.3° |
| H20 | C17 | C18 | H22 | 141.2° | 179.2° |
| C19 | C18 | H21 | H22 | 119.6° | 120.0° |
| C18 | C19 | O4 | O5 | 179.0° | 180.0° |
| C18 | C19 | O5 | H23 | 179.0° | 180.0° |
| H21 | C18 | C19 | O4 | 165.3° | 120.1° |
| H21 | C18 | C19 | O5 | 13.8° | 60.0° |
| H22 | C18 | C19 | O4 | 75.0° | 120.0° |
| H22 | C18 | C19 | O5 | 105.9° | 60.0° |
| O4 | C19 | O5 | H23 | 0.0° | 0.0° |
| C20 | N4 | H24 | C16 | 180.0° | 179.9° |
| N4 | C20 | C21 | C30 | 115.1° | 119.8° |
| N4 | C20 | C21 | H25 | 123.2° | 120.1° |
| N4 | C20 | C30 | H25 | 124.0° | 119.9° |
| N4 | C20 | C21 | C22 | 174.2° | 65.0° |
| N4 | C20 | C21 | H26 | 64.5° | 55.1° |
| N4 | C20 | C21 | H27 | 52.8° | 175.0° |
| N4 | C20 | C30 | O6 | 65.7° | 39.6° |
| N4 | C20 | C30 | N6 | 113.5° | 140.4° |
| H24 | N4 | C20 | C21 | 85.7° | 73.6° |
| H24 | N4 | C20 | C30 | 28.1° | 46.4° |
| H24 | N4 | C20 | H25 | 151.4° | 166.4° |
| C21 | C20 | C30 | H25 | 122.1° | 120.1° |
| C20 | C21 | C22 | H26 | 121.4° | 120.0° |
| C20 | C21 | C22 | H27 | 121.4° | 120.0° |
| C20 | C21 | H26 | H27 | 115.8° | 120.0° |
| C20 | C21 | C22 | C23 | 77.8° | 85.0° |
| C20 | C21 | C22 | C26 | 104.9° | 95.3° |
| C21 | C20 | C30 | O6 | 48.2° | 80.4° |
| C21 | C20 | N4 | C16 | 94.2° | 106.5° |
| C21 | C20 | C30 | N6 | 132.6° | 99.7° |
| C30 | C20 | C21 | C22 | 59.1° | 175.3° |
| C30 | C20 | C21 | H26 | 179.6° | 64.7° |
| C30 | C20 | C21 | H27 | 62.3° | 55.3° |
| C20 | C30 | O6 | N6 | 179.0° | 180.0° |
| C20 | C30 | N6 | C31 | 178.7° | 178.9° |
| C20 | C30 | N6 | H33 | 1.3° | 1.0° |
| C30 | C20 | N4 | C16 | 151.9° | 133.5° |
| H25 | C20 | C21 | C22 | 62.6° | 55.1° |
| H25 | C20 | C21 | H26 | 58.7° | 175.1° |
| H25 | C20 | C21 | H27 | 176.0° | 64.9° |
| H25 | C20 | C30 | O6 | 170.3° | 159.5° |
| H25 | C20 | N4 | C16 | 28.6° | 13.5° |
| H25 | C20 | C30 | N6 | 10.5° | 20.5° |
| C22 | C21 | H26 | H27 | 115.7° | 120.0° |
| C21 | C22 | C23 | C26 | 177.8° | 179.8° |
| C21 | C22 | C23 | C24 | 3.3° | 0.0° |
| C21 | C22 | C23 | C25 | 175.9° | 180.0° |
| C21 | C22 | C26 | N5 | 175.8° | 179.9° |
| C21 | C22 | C26 | H30 | 4.2° | 0.0° |
| H26 | C21 | C22 | C23 | 43.6° | 35.0° |
| H26 | C21 | C22 | C26 | 133.8° | 144.7° |
| H27 | C21 | C22 | C23 | 160.9° | 155.0° |
| H27 | C21 | C22 | C26 | 16.5° | 24.7° |
| C22 | C23 | C24 | C25 | 179.2° | 180.0° |
| C22 | C23 | C24 | C29 | 176.5° | 180.0° |
| C22 | C23 | C24 | H28 | 3.5° | 0.1° |
| C22 | C23 | C25 | N5 | 1.1° | 0.0° |
| C22 | C23 | C25 | C27 | 177.0° | 180.0° |
| C23 | C22 | C26 | N5 | 2.1° | 0.4° |
| C23 | C22 | C26 | H30 | 177.9° | 179.7° |
| C26 | C22 | C23 | C24 | 178.9° | 179.7° |
| C26 | C22 | C23 | C25 | 1.9° | 0.2° |
| C22 | C26 | N5 | C25 | 1.4° | 0.3° |
| C22 | C26 | N5 | H30 | 180.0° | 179.9° |
| C22 | C26 | N5 | H29 | 178.6° | 179.8° |
| C23 | C24 | C29 | H28 | 180.0° | 179.9° |
| C24 | C23 | C25 | N5 | 179.5° | 179.9° |
| C24 | C23 | C25 | C27 | 2.4° | 0.0° |
| C23 | C24 | C29 | C28 | 4.3° | 0.0° |
| C23 | C24 | C29 | H32 | 175.7° | 179.9° |
| C25 | C23 | C24 | C29 | 2.7° | 0.0° |
| C25 | C23 | C24 | H28 | 177.3° | 179.9° |
| C23 | C25 | N5 | C27 | 178.0° | 179.9° |
| C23 | C25 | N5 | C26 | 0.1° | 0.2° |
| C23 | C25 | N5 | H29 | 179.9° | 180.0° |
| C23 | C25 | C27 | C28 | 3.4° | 0.1° |
| C23 | C25 | C27 | H31 | 176.6° | 180.0° |
| C24 | C29 | C28 | C27 | 5.6° | 0.0° |
| C24 | C29 | C28 | CL1 | 176.5° | 180.0° |
| C24 | C29 | C28 | H32 | 180.0° | 179.9° |
| H28 | C24 | C29 | C28 | 175.7° | 179.9° |
| H28 | C24 | C29 | H32 | 4.3° | 0.0° |
| C25 | N5 | C26 | H29 | 180.0° | 179.9° |
| C25 | N5 | C26 | H30 | 178.6° | 179.7° |
| N5 | C25 | C27 | C28 | 178.9° | 179.9° |
| N5 | C25 | C27 | H31 | 1.1° | 0.1° |
| C27 | C25 | N5 | C26 | 178.1° | 179.7° |
| C27 | C25 | N5 | H29 | 1.9° | 0.1° |
| C25 | C27 | C28 | H31 | 180.0° | 180.0° |
| C25 | C27 | C28 | CL1 | 175.9° | 180.0° |
| C25 | C27 | C28 | C29 | 4.9° | 0.1° |
| H29 | N5 | C26 | H30 | 1.4° | 0.1° |
| C27 | C28 | CL1 | C29 | 171.3° | 179.9° |
| C27 | C28 | C29 | H32 | 174.4° | 180.0° |
| H31 | C27 | C28 | CL1 | 4.1° | 0.0° |
| H31 | C27 | C28 | C29 | 175.1° | 179.9° |
| CL1 | C28 | C29 | H32 | 3.5° | 0.1° |
| O6 | C30 | N6 | C31 | 2.2° | 1.1° |
| O6 | C30 | N6 | H33 | 177.8° | 179.0° |
| C31 | N6 | H33 | C30 | 180.0° | 179.9° |
| N6 | C31 | C32 | C33 | 121.3° | 119.9° |
| N6 | C31 | C32 | H34 | 117.6° | 119.9° |
| N6 | C31 | C33 | H34 | 116.9° | 120.1° |
| N6 | C31 | C32 | O7 | 55.3° | 33.0° |
| N6 | C31 | C33 | C34 | 57.6° | 66.5° |
| N6 | C31 | C33 | H35 | 63.3° | 173.5° |
| N6 | C31 | C33 | H36 | 178.5° | 53.5° |
| N6 | C31 | C32 | N7 | 122.7° | 146.9° |
| H33 | N6 | C31 | C32 | 129.4° | 39.3° |
| H33 | N6 | C31 | C33 | 103.9° | 159.2° |
| H33 | N6 | C31 | H34 | 12.4° | 80.7° |
| C32 | C31 | C33 | H34 | 121.0° | 120.1° |
| C31 | C32 | O7 | N7 | 178.0° | 180.0° |
| C32 | C31 | C33 | C34 | 179.7° | 53.2° |
| C32 | C31 | C33 | H35 | 58.8° | 66.8° |
| C32 | C31 | C33 | H36 | 59.4° | 173.2° |
| C31 | C32 | N7 | C37 | 177.1° | 178.6° |
| C31 | C32 | N7 | H44 | 2.9° | 1.4° |
| C32 | C31 | N6 | C30 | 50.6° | 140.8° |
| C33 | C31 | C32 | O7 | 176.7° | 152.9° |
| C31 | C33 | C34 | H35 | 120.9° | 120.0° |
| C31 | C33 | C34 | H36 | 120.9° | 120.1° |
| C31 | C33 | H35 | H36 | 117.2° | 120.0° |
| C31 | C33 | C34 | C35 | 178.9° | 167.5° |
| C31 | C33 | C34 | C36 | 57.5° | 47.6° |
| C31 | C33 | C34 | H37 | 60.0° | 72.4° |
| C33 | C31 | N6 | C30 | 76.1° | 20.9° |
| C33 | C31 | C32 | N7 | 1.4° | 27.0° |
| H34 | C31 | C32 | O7 | 62.3° | 86.9° |
| H34 | C31 | C33 | C34 | 59.3° | 173.3° |
| H34 | C31 | C33 | H35 | 179.8° | 53.3° |
| H34 | C31 | C33 | H36 | 61.7° | 66.6° |
| H34 | C31 | N6 | C30 | 167.6° | 99.2° |
| H34 | C31 | C32 | N7 | 119.6° | 93.2° |
| O7 | C32 | N7 | C37 | 4.9° | 1.5° |
| O7 | C32 | N7 | H44 | 175.1° | 178.6° |
| C34 | C33 | H35 | H36 | 117.2° | 120.0° |
| C33 | C34 | C35 | C36 | 122.4° | 120.0° |
| C33 | C34 | C35 | H37 | 118.8° | 120.1° |
| C33 | C34 | C36 | H37 | 117.5° | 120.0° |
| C33 | C34 | C35 | H38 | 180.0° | 60.0° |
| C33 | C34 | C35 | H39 | 60.0° | 179.9° |
| C33 | C34 | C35 | H40 | 60.0° | 60.0° |
| C33 | C34 | C36 | H41 | 180.0° | 70.9° |
| C33 | C34 | C36 | H42 | 60.0° | 49.1° |
| C33 | C34 | C36 | H43 | 60.0° | 169.1° |
| H35 | C33 | C34 | C35 | 57.9° | 72.5° |
| H35 | C33 | C34 | C36 | 178.4° | 167.5° |
| H35 | C33 | C34 | H37 | 61.0° | 47.6° |
| H36 | C33 | C34 | C35 | 60.2° | 47.5° |
| H36 | C33 | C34 | C36 | 63.5° | 72.5° |
| H36 | C33 | C34 | H37 | 179.1° | 167.6° |
| C35 | C34 | C36 | H37 | 118.9° | 120.0° |
| C34 | C35 | H38 | H39 | 120.0° | 120.1° |
| C34 | C35 | H38 | H40 | 120.0° | 120.0° |
| C34 | C35 | H39 | H40 | 120.0° | 120.0° |
| C35 | C34 | C36 | H41 | 56.4° | 49.1° |
| C35 | C34 | C36 | H42 | 63.7° | 169.1° |
| C35 | C34 | C36 | H43 | 176.3° | 70.9° |
| C36 | C34 | C35 | H38 | 57.6° | 60.0° |
| C36 | C34 | C35 | H39 | 177.5° | 60.1° |
| C36 | C34 | C35 | H40 | 62.4° | 180.0° |
| C34 | C36 | H41 | H42 | 120.0° | 120.0° |
| C34 | C36 | H41 | H43 | 120.0° | 120.0° |
| C34 | C36 | H42 | H43 | 120.0° | 120.0° |
| H37 | C34 | C35 | H38 | 61.2° | 180.0° |
| H37 | C34 | C35 | H39 | 58.8° | 59.9° |
| H37 | C34 | C35 | H40 | 178.8° | 60.0° |
| H37 | C34 | C36 | H41 | 62.5° | 169.1° |
| H37 | C34 | C36 | H42 | 177.5° | 70.9° |
| H37 | C34 | C36 | H43 | 57.5° | 49.1° |
| H38 | C35 | H39 | H40 | 120.0° | 120.0° |
| H41 | C36 | H42 | H43 | 120.0° | 120.0° |
| C37 | N7 | H44 | C32 | 180.0° | 180.0° |
| N7 | C37 | C38 | C39 | 120.8° | 119.9° |
| N7 | C37 | C38 | H45 | 123.6° | 119.9° |
| N7 | C37 | C39 | H45 | 118.9° | 120.2° |
| N7 | C37 | C38 | O8 | 173.7° | 18.9° |
| N7 | C37 | C39 | C40 | 81.4° | 65.0° |
| N7 | C37 | C39 | H46 | 38.3° | 55.0° |
| N7 | C37 | C39 | H47 | 158.8° | 175.0° |
| N7 | C37 | C38 | N8 | 5.1° | 161.0° |
| H44 | N7 | C37 | C38 | 99.1° | 41.3° |
| H44 | N7 | C37 | C39 | 19.6° | 78.5° |
| H44 | N7 | C37 | H45 | 137.7° | 161.3° |
| C38 | C37 | C39 | H45 | 116.0° | 120.2° |
| C37 | C38 | O8 | N8 | 178.8° | 179.9° |
| C38 | C37 | C39 | C40 | 153.4° | 175.4° |
| C38 | C37 | C39 | H46 | 86.8° | 64.6° |
| C38 | C37 | C39 | H47 | 33.7° | 55.4° |
| C37 | C38 | N8 | C41 | 167.5° | 179.4° |
| C37 | C38 | N8 | H49 | 12.5° | 0.7° |
| C38 | C37 | N7 | C32 | 80.8° | 138.7° |
| C39 | C37 | C38 | O8 | 52.9° | 101.0° |
| C37 | C39 | C40 | H46 | 119.8° | 120.0° |
| C37 | C39 | C40 | H47 | 119.8° | 120.0° |
| C37 | C39 | H46 | H47 | 120.7° | 120.0° |
| C37 | C39 | C40 | O9 | 39.3° | 0.0° |
| C37 | C39 | C40 | O10 | 140.2° | 180.0° |
| C39 | C37 | N7 | C32 | 160.5° | 101.5° |
| C39 | C37 | C38 | N8 | 125.9° | 79.1° |
| H45 | C37 | C38 | O8 | 62.7° | 138.8° |
| H45 | C37 | C39 | C40 | 37.4° | 55.2° |
| H45 | C37 | C39 | H46 | 157.2° | 175.2° |
| H45 | C37 | C39 | H47 | 82.3° | 64.8° |
| H45 | C37 | N7 | C32 | 42.3° | 18.8° |
| H45 | C37 | C38 | N8 | 118.4° | 41.1° |
| O8 | C38 | N8 | C41 | 11.3° | 0.5° |
| O8 | C38 | N8 | H49 | 168.7° | 179.4° |
| C40 | C39 | H46 | H47 | 120.7° | 120.0° |
| C39 | C40 | O9 | O10 | 179.5° | 180.0° |
| C39 | C40 | O10 | H48 | 179.5° | 180.0° |
| H46 | C39 | C40 | O9 | 80.4° | 120.0° |
| H46 | C39 | C40 | O10 | 100.0° | 60.0° |
| H47 | C39 | C40 | O9 | 159.1° | 120.0° |
| H47 | C39 | C40 | O10 | 20.5° | 60.0° |
| O9 | C40 | O10 | H48 | 0.0° | 0.0° |
| C41 | N8 | H49 | C38 | 180.0° | 179.9° |
| N8 | C41 | C42 | C43 | 122.6° | 119.7° |
| N8 | C41 | C42 | H50 | 121.1° | 119.7° |
| N8 | C41 | C43 | H50 | 117.8° | 120.6° |
| N8 | C41 | C42 | O11 | 16.0° | 36.1° |
| N8 | C41 | C43 | C44 | 58.0° | 179.1° |
| N8 | C41 | C43 | H51 | 62.4° | 59.1° |
| N8 | C41 | C43 | H52 | 178.3° | 60.9° |
| N8 | C41 | C42 | N10 | 165.1° | 143.9° |
| H49 | N8 | C41 | C42 | 48.4° | 45.2° |
| H49 | N8 | C41 | C43 | 74.0° | 164.9° |
| H49 | N8 | C41 | H50 | 169.1° | 74.4° |
| C42 | C41 | C43 | H50 | 116.6° | 120.5° |
| C41 | C42 | O11 | N10 | 178.8° | 180.0° |
| C42 | C41 | C43 | C44 | 176.4° | 61.9° |
| C42 | C41 | C43 | H51 | 63.2° | 178.0° |
| C42 | C41 | C43 | H52 | 56.0° | 58.0° |
| C41 | C42 | N10 | C52 | 177.0° | 176.8° |
| C41 | C42 | N10 | H59 | 3.0° | 3.3° |
| C42 | C41 | N8 | C38 | 131.6° | 134.8° |
| C43 | C41 | C42 | O11 | 106.6° | 155.8° |
| C41 | C43 | C44 | H51 | 120.4° | 120.0° |
| C41 | C43 | C44 | H52 | 120.4° | 120.0° |
| C41 | C43 | H51 | H52 | 118.8° | 120.0° |
| C41 | C43 | C44 | C45 | 78.9° | 111.6° |
| C41 | C43 | C44 | C46 | 100.2° | 68.2° |
| C43 | C41 | N8 | C38 | 106.0° | 15.2° |
| C43 | C41 | C42 | N10 | 72.3° | 24.2° |
| H50 | C41 | C42 | O11 | 137.1° | 83.6° |
| H50 | C41 | C43 | C44 | 59.8° | 58.5° |
| H50 | C41 | C43 | H51 | 179.8° | 61.5° |
| H50 | C41 | C43 | H52 | 60.6° | 178.5° |
| H50 | C41 | N8 | C38 | 10.9° | 105.5° |
| H50 | C41 | C42 | N10 | 44.0° | 96.4° |
| O11 | C42 | N10 | C52 | 1.9° | 3.2° |
| O11 | C42 | N10 | H59 | 178.1° | 176.7° |
| C44 | C43 | H51 | H52 | 118.9° | 120.0° |
| C43 | C44 | C45 | C46 | 179.3° | 179.8° |
| C43 | C44 | C45 | N9 | 179.6° | 180.0° |
| C43 | C44 | C45 | H53 | 0.3° | 0.0° |
| C43 | C44 | C46 | C47 | 179.8° | 179.9° |
| C43 | C44 | C46 | C48 | 0.8° | 0.0° |
| H51 | C43 | C44 | C45 | 160.7° | 128.4° |
| H51 | C43 | C44 | C46 | 20.2° | 51.9° |
| H52 | C43 | C44 | C45 | 41.4° | 8.4° |
| H52 | C43 | C44 | C46 | 139.4° | 171.9° |
| C44 | C45 | N9 | H53 | 180.0° | 180.0° |
| C45 | C44 | C46 | C47 | 0.6° | 0.3° |
| C45 | C44 | C46 | C48 | 179.9° | 179.8° |
| C44 | C45 | N9 | C47 | 0.0° | 0.1° |
| C44 | C45 | N9 | H54 | 180.0° | 180.0° |
| C46 | C44 | C45 | N9 | 0.4° | 0.2° |
| C46 | C44 | C45 | H53 | 179.6° | 179.8° |
| C44 | C46 | C47 | C48 | 179.4° | 180.0° |
| C44 | C46 | C47 | N9 | 0.6° | 0.2° |
| C44 | C46 | C47 | C49 | 179.7° | 180.0° |
| C44 | C46 | C48 | C50 | 179.4° | 180.0° |
| C44 | C46 | C48 | H55 | 0.6° | 0.0° |
| C45 | N9 | C47 | C46 | 0.4° | 0.0° |
| C45 | N9 | C47 | H54 | 180.0° | 179.9° |
| C45 | N9 | C47 | C49 | 179.9° | 179.8° |
| H53 | C45 | N9 | C47 | 180.0° | 179.9° |
| H53 | C45 | N9 | H54 | 0.0° | 0.0° |
| C46 | C47 | N9 | C49 | 179.7° | 179.8° |
| C46 | C47 | N9 | H54 | 179.6° | 179.8° |
| C47 | C46 | C48 | C50 | 0.1° | 0.0° |
| C47 | C46 | C48 | H55 | 179.9° | 180.0° |
| C46 | C47 | C49 | C51 | 0.2° | 0.0° |
| C46 | C47 | C49 | H56 | 179.8° | 180.0° |
| C48 | C46 | C47 | N9 | 180.0° | 179.9° |
| C48 | C46 | C47 | C49 | 0.2° | 0.0° |
| C46 | C48 | C50 | H55 | 180.0° | 180.0° |
| C46 | C48 | C50 | C51 | 0.0° | 0.0° |
| C46 | C48 | C50 | H57 | 179.9° | 180.0° |
| N9 | C47 | C49 | C51 | 179.8° | 179.8° |
| N9 | C47 | C49 | H56 | 0.1° | 0.2° |
| H54 | N9 | C47 | C49 | 0.1° | 0.0° |
| C47 | C49 | C51 | H56 | 180.0° | 180.0° |
| C47 | C49 | C51 | C50 | 0.0° | 0.0° |
| C47 | C49 | C51 | H58 | 180.0° | 180.0° |
| C48 | C50 | C51 | C49 | 0.1° | 0.0° |
| C48 | C50 | C51 | H57 | 180.0° | 180.0° |
| C48 | C50 | C51 | H58 | 179.9° | 179.9° |
| H55 | C48 | C50 | C51 | 180.0° | 180.0° |
| H55 | C48 | C50 | H57 | 0.0° | 0.0° |
| C49 | C51 | C50 | H58 | 180.0° | 180.0° |
| C49 | C51 | C50 | H57 | 179.9° | 180.0° |
| H56 | C49 | C51 | C50 | 180.0° | 180.0° |
| H56 | C49 | C51 | H58 | 0.1° | 0.1° |
| H57 | C50 | C51 | H58 | 0.1° | 0.0° |
| C52 | N10 | H59 | C42 | 180.0° | 179.9° |
| N10 | C52 | C53 | C54 | 123.7° | 120.1° |
| N10 | C52 | C53 | H60 | 119.0° | 120.0° |
| N10 | C52 | C54 | H60 | 123.3° | 119.9° |
| N10 | C52 | C53 | O12 | 46.5° | 45.6° |
| N10 | C52 | C54 | C55 | 52.5° | 176.8° |
| N10 | C52 | C54 | H61 | 68.0° | 56.7° |
| N10 | C52 | C54 | H62 | 172.9° | 63.2° |
| N10 | C52 | C53 | N11 | 131.9° | 134.5° |
| H59 | N10 | C52 | C53 | 48.0° | 9.0° |
| H59 | N10 | C52 | C54 | 70.9° | 111.1° |
| H59 | N10 | C52 | H60 | 166.4° | 129.1° |
| C53 | C52 | C54 | H60 | 117.4° | 119.9° |
| C52 | C53 | O12 | N11 | 178.1° | 179.9° |
| C53 | C52 | C54 | C55 | 171.8° | 63.0° |
| C53 | C52 | C54 | H61 | 51.4° | 177.0° |
| C53 | C52 | C54 | H62 | 67.7° | 57.0° |
| C52 | C53 | N11 | C57 | 179.4° | 175.7° |
| C52 | C53 | N11 | H66 | 0.6° | 4.3° |
| C53 | C52 | N10 | C42 | 132.0° | 171.1° |
| C54 | C52 | C53 | O12 | 77.2° | 74.5° |
| C52 | C54 | C55 | H61 | 120.5° | 120.0° |
| C52 | C54 | C55 | H62 | 120.4° | 120.0° |
| C52 | C54 | H61 | H62 | 118.7° | 119.9° |
| C52 | C54 | C55 | C56 | 169.9° | 175.2° |
| C52 | C54 | C55 | H63 | 69.5° | 55.2° |
| C52 | C54 | C55 | H64 | 49.3° | 64.8° |
| C54 | C52 | N10 | C42 | 109.1° | 68.8° |
| C54 | C52 | C53 | N11 | 104.4° | 105.4° |
| H60 | C52 | C53 | O12 | 165.5° | 165.6° |
| H60 | C52 | C54 | C55 | 70.8° | 56.9° |
| H60 | C52 | C54 | H61 | 168.7° | 63.1° |
| H60 | C52 | C54 | H62 | 49.6° | 176.9° |
| H60 | C52 | N10 | C42 | 13.6° | 51.0° |
| H60 | C52 | C53 | N11 | 12.9° | 14.5° |
| O12 | C53 | N11 | C57 | 1.2° | 4.2° |
| O12 | C53 | N11 | H66 | 178.7° | 175.8° |
| C55 | C54 | H61 | H62 | 118.7° | 120.1° |
| C54 | C55 | C56 | H63 | 120.6° | 120.0° |
| C54 | C55 | C56 | H64 | 120.6° | 120.0° |
| C54 | C55 | H63 | H64 | 118.3° | 120.1° |
| C54 | C55 | C56 | O13 | 27.7° | 0.0° |
| C54 | C55 | C56 | O14 | 152.7° | 180.0° |
| H61 | C54 | C55 | C56 | 49.4° | 64.8° |
| H61 | C54 | C55 | H63 | 170.0° | 175.2° |
| H61 | C54 | C55 | H64 | 71.1° | 55.2° |
| H62 | C54 | C55 | C56 | 69.7° | 55.2° |
| H62 | C54 | C55 | H63 | 50.9° | 64.8° |
| H62 | C54 | C55 | H64 | 169.8° | 175.2° |
| C56 | C55 | H63 | H64 | 118.3° | 119.9° |
| C55 | C56 | O13 | O14 | 179.5° | 180.0° |
| C55 | C56 | O14 | H65 | 179.5° | 179.9° |
| H63 | C55 | C56 | O13 | 148.3° | 120.0° |
| H63 | C55 | C56 | O14 | 32.2° | 60.0° |
| H64 | C55 | C56 | O13 | 92.8° | 120.0° |
| H64 | C55 | C56 | O14 | 86.7° | 59.9° |
| O13 | C56 | O14 | H65 | 0.0° | 0.1° |
| C57 | N11 | H66 | C53 | 180.0° | 179.9° |
| N11 | C57 | C58 | C59 | 121.4° | 120.2° |
| N11 | C57 | C58 | H67 | 118.8° | 120.3° |
| N11 | C57 | C59 | H67 | 120.0° | 119.6° |
| N11 | C57 | C58 | O15 | 98.2° | 45.0° |
| N11 | C57 | C59 | C60 | 56.4° | 171.8° |
| N11 | C57 | C59 | H68 | 64.1° | 68.2° |
| N11 | C57 | C59 | H69 | 176.9° | 51.8° |
| N11 | C57 | C58 | N12 | 78.7° | 135.0° |
| H66 | N11 | C57 | C58 | 59.5° | 38.2° |
| H66 | N11 | C57 | C59 | 62.6° | 158.4° |
| H66 | N11 | C57 | H67 | 177.8° | 82.0° |
| C58 | C57 | C59 | H67 | 119.8° | 119.6° |
| C57 | C58 | O15 | N12 | 176.7° | 180.0° |
| C58 | C57 | C59 | C60 | 176.6° | 51.1° |
| C58 | C57 | C59 | H68 | 56.1° | 171.1° |
| C58 | C57 | C59 | H69 | 63.0° | 68.9° |
| C57 | C58 | N12 | C66 | 168.0° | 162.2° |
| C57 | C58 | N12 | C69 | 7.1° | 17.2° |
| C58 | C57 | N11 | C53 | 120.5° | 141.8° |
| C59 | C57 | C58 | O15 | 23.2° | 75.2° |
| C57 | C59 | C60 | H68 | 120.5° | 120.0° |
| C57 | C59 | C60 | H69 | 120.5° | 119.9° |
| C57 | C59 | H68 | H69 | 118.6° | 120.0° |
| C57 | C59 | C60 | C61 | 78.4° | 93.2° |
| C57 | C59 | C60 | C62 | 99.6° | 87.1° |
| C59 | C57 | C58 | N12 | 159.9° | 104.8° |
| C59 | C57 | N11 | C53 | 117.4° | 21.6° |
| H67 | C57 | C58 | O15 | 143.0° | 165.2° |
| H67 | C57 | C59 | C60 | 63.6° | 68.5° |
| H67 | C57 | C59 | H68 | 175.9° | 51.4° |
| H67 | C57 | C59 | H69 | 56.8° | 171.5° |
| H67 | C57 | C58 | N12 | 40.1° | 14.8° |
| H67 | C57 | N11 | C53 | 2.2° | 97.9° |
| O15 | C58 | N12 | C66 | 8.8° | 17.8° |
| O15 | C58 | N12 | C69 | 176.1° | 162.8° |
| C60 | C59 | H68 | H69 | 118.6° | 120.1° |
| C59 | C60 | C61 | C62 | 178.1° | 179.7° |
| C59 | C60 | C61 | C63 | 179.3° | 180.0° |
| C59 | C60 | C61 | H70 | 0.7° | 0.0° |
| C59 | C60 | C62 | C64 | 178.9° | 180.0° |
| C59 | C60 | C62 | H71 | 1.1° | 0.0° |
| H68 | C59 | C60 | C61 | 161.1° | 26.8° |
| H68 | C59 | C60 | C62 | 20.9° | 152.9° |
| H69 | C59 | C60 | C61 | 42.0° | 146.9° |
| H69 | C59 | C60 | C62 | 139.9° | 32.8° |
| C60 | C61 | C63 | H70 | 180.0° | 180.0° |
| C61 | C60 | C62 | C64 | 3.1° | 0.3° |
| C61 | C60 | C62 | H71 | 177.0° | 179.7° |
| C60 | C61 | C63 | C65 | 0.5° | 0.0° |
| C60 | C61 | C63 | H72 | 179.5° | 179.9° |
| C62 | C60 | C61 | C63 | 1.1° | 0.3° |
| C62 | C60 | C61 | H70 | 178.9° | 179.7° |
| C60 | C62 | C64 | H71 | 180.0° | 180.0° |
| C60 | C62 | C64 | C65 | 3.3° | 0.0° |
| C60 | C62 | C64 | H73 | 176.7° | 180.0° |
| C61 | C63 | C65 | H72 | 180.0° | 179.9° |
| C61 | C63 | C65 | C64 | 0.3° | 0.3° |
| C61 | C63 | C65 | H74 | 179.7° | 180.0° |
| H70 | C61 | C63 | C65 | 179.5° | 180.0° |
| H70 | C61 | C63 | H72 | 0.5° | 0.1° |
| C62 | C64 | C65 | C63 | 1.5° | 0.3° |
| C62 | C64 | C65 | H73 | 180.0° | 180.0° |
| C62 | C64 | C65 | H74 | 178.5° | 180.0° |
| H71 | C62 | C64 | C65 | 176.7° | 180.0° |
| H71 | C62 | C64 | H73 | 3.3° | 0.0° |
| C63 | C65 | C64 | H74 | 180.0° | 179.7° |
| C63 | C65 | C64 | H73 | 178.5° | 179.7° |
| H72 | C63 | C65 | C64 | 179.7° | 179.8° |
| H72 | C63 | C65 | H74 | 0.3° | 0.1° |
| H73 | C64 | C65 | H74 | 1.5° | 0.0° |
| C66 | N12 | C69 | C58 | 175.4° | 179.5° |
| N12 | C66 | C67 | C70 | 118.1° | 121.8° |
| N12 | C66 | C67 | H75 | 120.4° | 119.4° |
| N12 | C66 | C70 | H75 | 120.0° | 121.3° |
| N12 | C66 | C67 | C68 | 7.4° | 3.5° |
| N12 | C66 | C67 | H76 | 127.0° | 122.8° |
| N12 | C66 | C67 | H77 | 112.2° | 115.8° |
| C66 | N12 | C69 | C68 | 11.2° | 17.0° |
| C66 | N12 | C69 | H80 | 108.3° | 136.6° |
| C66 | N12 | C69 | H81 | 130.6° | 102.8° |
| N12 | C66 | C70 | O16 | 46.2° | 5.8° |
| N12 | C66 | C70 | N1 | 133.3° | 174.3° |
| C69 | N12 | C66 | C67 | 2.4° | 12.7° |
| C69 | N12 | C66 | C70 | 117.5° | 132.8° |
| C69 | N12 | C66 | H75 | 122.9° | 106.4° |
| N12 | C69 | C68 | C67 | 15.4° | 14.2° |
| N12 | C69 | C68 | H80 | 119.4° | 119.7° |
| N12 | C69 | C68 | H81 | 119.4° | 119.7° |
| N12 | C69 | C68 | H78 | 104.2° | 133.1° |
| N12 | C69 | C68 | H79 | 135.0° | 104.8° |
| N12 | C69 | H80 | H81 | 121.7° | 120.7° |
| C67 | C66 | C70 | H75 | 122.0° | 119.1° |
| C66 | C67 | C68 | H76 | 119.6° | 119.3° |
| C66 | C67 | C68 | H77 | 119.5° | 119.4° |
| C66 | C67 | H76 | H77 | 121.3° | 121.5° |
| C66 | C67 | C68 | C69 | 14.1° | 6.4° |
| C66 | C67 | C68 | H78 | 105.5° | 125.3° |
| C66 | C67 | C68 | H79 | 133.7° | 112.6° |
| C67 | C66 | C70 | O16 | 71.8° | 125.4° |
| C67 | C66 | C70 | N1 | 108.6° | 54.7° |
| C67 | C66 | N12 | C58 | 178.5° | 167.8° |
| C70 | C66 | C67 | C68 | 125.5° | 125.3° |
| C70 | C66 | C67 | H76 | 114.9° | 115.4° |
| C70 | C66 | C67 | H77 | 6.0° | 6.0° |
| C66 | C70 | O16 | N1 | 179.5° | 179.9° |
| C70 | C66 | N12 | C58 | 58.5° | 47.8° |
| H75 | C66 | C67 | C68 | 113.0° | 115.8° |
| H75 | C66 | C67 | H76 | 6.6° | 3.4° |
| H75 | C66 | C67 | H77 | 127.4° | 124.9° |
| H75 | C66 | C70 | O16 | 166.2° | 115.5° |
| H75 | C66 | C70 | N1 | 13.4° | 64.4° |
| H75 | C66 | N12 | C58 | 61.0° | 73.1° |
| C68 | C67 | H76 | H77 | 121.3° | 121.3° |
| C67 | C68 | C69 | H78 | 119.6° | 118.9° |
| C67 | C68 | C69 | H79 | 119.6° | 119.0° |
| C67 | C68 | H78 | H79 | 121.2° | 122.1° |
| C67 | C68 | C69 | H80 | 104.0° | 133.9° |
| C67 | C68 | C69 | H81 | 134.8° | 105.6° |
| H76 | C67 | C68 | C69 | 133.7° | 112.9° |
| H76 | C67 | C68 | H78 | 14.1° | 6.0° |
| H76 | C67 | C68 | H79 | 106.7° | 128.1° |
| H77 | C67 | C68 | C69 | 105.4° | 125.8° |
| H77 | C67 | C68 | H78 | 135.0° | 115.3° |
| H77 | C67 | C68 | H79 | 14.1° | 6.8° |
| C69 | C68 | H78 | H79 | 121.2° | 122.0° |
| C68 | C69 | H80 | H81 | 121.8° | 120.6° |
| C68 | C69 | N12 | C58 | 173.4° | 163.6° |
| H78 | C68 | C69 | H80 | 136.4° | 107.2° |
| H78 | C68 | C69 | H81 | 15.2° | 13.4° |
| H79 | C68 | C69 | H80 | 15.6° | 14.9° |
| H79 | C68 | C69 | H81 | 105.7° | 135.4° |
| H80 | C69 | N12 | C58 | 67.2° | 43.9° |
| H81 | C69 | N12 | C58 | 54.0° | 76.7° |
