PRD_000009
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| 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 | 1.52Å | |
| C3 | O2 | sing | 1.45Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | CL1 | sing | 1.80Å | 1.75Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.48Å | 1.48Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C9 | sing | 1.51Å | 1.55Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.46Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C10 | sing | 1.47Å | 1.48Å | |
| N3 | C14 | sing | 1.46Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | O5 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | C16 | sing | 1.48Å | 1.45Å | |
| N4 | C18 | sing | 1.46Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.56Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | O6 | doub | 1.21Å | 1.23Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | C19 | sing | 1.46Å | 1.46Å | |
| N5 | C20 | sing | 1.48Å | 1.47Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.51Å | 1.52Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.21Å | |
| C23 | C24 | sing | 1.47Å | 1.50Å | |
| C23 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C33 | sing | 1.47Å | 1.44Å | Aromatic |
| C24 | O8 | doub | 1.22Å | 1.25Å | |
| C25 | N6 | sing | 1.38Å | 1.34Å | |
| C25 | C26 | sing | 1.47Å | 1.50Å | Aromatic |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| C26 | O9 | doub | 1.22Å | 1.24Å | |
| C26 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
| C27 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C27 | C37 | sing | 1.51Å | 1.51Å | |
| O10 | C34 | sing | 1.35Å | 1.35Å | Aromatic |
| O10 | C35 | sing | 1.35Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C38 | sing | 1.51Å | 1.50Å | |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.48Å | 1.49Å | |
| C31 | C36 | sing | 1.42Å | 1.41Å | Aromatic |
| C32 | O11 | doub | 1.22Å | 1.25Å | |
| N7 | C33 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C36 | sing | 1.34Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.47Å | 1.49Å | Aromatic |
| C35 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| N8 | C39 | sing | 1.47Å | 1.47Å | |
| N8 | H44 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.54Å | |
| C39 | C41 | sing | 1.53Å | 1.49Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | O12 | doub | 1.21Å | 1.25Å | |
| C41 | O13 | sing | 1.45Å | 1.46Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| N9 | C43 | sing | 1.48Å | 1.46Å | |
| N9 | H50 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | C47 | sing | 1.51Å | 1.53Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C44 | C46 | sing | 1.53Å | 1.53Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C46 | H58 | sing | 1.09Å | 1.10Å | |
| C47 | O14 | doub | 1.21Å | 1.24Å | |
| N10 | C48 | sing | 1.47Å | 1.48Å | |
| N10 | C52 | sing | 1.46Å | 1.47Å | |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.55Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C49 | O15 | doub | 1.21Å | 1.23Å | |
| C50 | C51 | sing | 1.54Å | 1.53Å | |
| C50 | O16 | sing | 1.43Å | 1.41Å | |
| C50 | H60 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | H61 | sing | 1.09Å | 1.10Å | |
| C51 | H62 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H63 | sing | 1.09Å | 1.10Å | |
| O16 | H64 | sing | 0.97Å | 0.95Å | |
| C53 | H65 | sing | 1.09Å | 1.10Å | |
| C53 | H66 | sing | 1.09Å | 1.10Å | |
| C53 | H67 | sing | 1.09Å | 1.10Å | |
| N11 | C54 | sing | 1.48Å | 1.46Å | |
| N11 | C56 | sing | 1.46Å | 1.48Å | |
| C54 | C55 | sing | 1.51Å | 1.54Å | |
| C54 | H68 | sing | 1.09Å | 1.10Å | |
| C54 | H69 | sing | 1.09Å | 1.10Å | |
| C55 | O17 | doub | 1.21Å | 1.24Å | |
| C56 | H70 | sing | 1.09Å | 1.10Å | |
| C56 | H71 | sing | 1.09Å | 1.10Å | |
| C56 | H72 | sing | 1.09Å | 1.10Å | |
| N12 | C57 | sing | 1.46Å | 1.49Å | |
| N12 | C58 | sing | 1.48Å | 1.48Å | |
| C57 | H73 | sing | 1.09Å | 1.10Å | |
| C57 | H74 | sing | 1.09Å | 1.10Å | |
| C57 | H75 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.57Å | |
| C58 | C62 | sing | 1.51Å | 1.52Å | |
| C58 | H76 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.54Å | |
| C59 | H77 | sing | 1.09Å | 1.10Å | |
| C60 | H78 | sing | 1.09Å | 1.10Å | |
| C60 | H79 | sing | 1.09Å | 1.10Å | |
| C60 | H80 | sing | 1.09Å | 1.10Å | |
| C61 | H81 | sing | 1.09Å | 1.10Å | |
| C61 | H82 | sing | 1.09Å | 1.10Å | |
| C61 | H83 | sing | 1.09Å | 1.10Å | |
| C62 | O18 | doub | 1.21Å | 1.21Å | |
| N1 | C24 | sing | 1.35Å | 1.35Å | |
| C2 | N2 | sing | 1.37Å | 1.36Å | |
| O2 | C22 | sing | 1.34Å | 1.38Å | |
| C9 | N3 | sing | 1.35Å | 1.37Å | |
| C11 | N4 | sing | 1.37Å | 1.35Å | |
| C17 | N5 | sing | 1.36Å | 1.37Å | |
| C32 | N8 | sing | 1.35Å | 1.34Å | |
| C40 | N9 | sing | 1.37Å | 1.34Å | |
| O13 | C62 | sing | 1.34Å | 1.35Å | |
| C47 | N10 | sing | 1.35Å | 1.37Å | |
| C49 | N11 | sing | 1.37Å | 1.35Å | |
| C55 | N12 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.0° | 120.0° |
| N1 | C1 | C2 | 108.9° | 109.5° |
| N1 | C1 | C3 | 113.2° | 109.5° |
| N1 | C1 | H2 | 110.6° | 109.5° |
| C1 | N1 | C24 | 120.0° | 120.0° |
| H1 | N1 | C24 | 120.0° | 120.0° |
| C2 | C1 | C3 | 105.1° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | O1 | 122.1° | 120.7° |
| C1 | C2 | N2 | 114.4° | 118.5° |
| C3 | C1 | H2 | 109.4° | 109.5° |
| C1 | C3 | C4 | 114.0° | 109.4° |
| C1 | C3 | O2 | 108.6° | 109.5° |
| C1 | C3 | H3 | 107.8° | 109.5° |
| O1 | C2 | N2 | 123.4° | 120.7° |
| C4 | C3 | O2 | 109.3° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | CL1 | 112.4° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C3 | C4 | H5 | 108.7° | 109.5° |
| O2 | C3 | H3 | 109.0° | 109.5° |
| C3 | O2 | C22 | 114.8° | 117.0° |
| CL1 | C4 | H4 | 108.7° | 109.5° |
| CL1 | C4 | H5 | 108.7° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| C5 | N2 | H6 | 120.1° | 122.9° |
| N2 | C5 | C6 | 111.1° | 109.7° |
| N2 | C5 | C9 | 110.5° | 108.2° |
| N2 | C5 | H7 | 108.7° | 109.7° |
| C5 | N2 | C2 | 119.8° | 114.3° |
| H6 | N2 | C2 | 120.1° | 122.8° |
| C6 | C5 | C9 | 110.6° | 109.7° |
| C6 | C5 | H7 | 108.0° | 109.7° |
| C5 | C6 | C7 | 109.3° | 109.5° |
| C5 | C6 | C8 | 117.6° | 109.5° |
| C5 | C6 | H8 | 105.6° | 109.5° |
| C9 | C5 | H7 | 107.9° | 109.8° |
| C5 | C9 | O3 | 123.3° | 119.9° |
| C5 | C9 | N3 | 116.3° | 120.2° |
| C7 | C6 | C8 | 111.4° | 109.5° |
| C7 | C6 | H8 | 105.6° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H8 | 106.4° | 109.4° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| O3 | C9 | N3 | 120.3° | 119.9° |
| C10 | N3 | C14 | 113.7° | 108.7° |
| N3 | C10 | C11 | 112.4° | 109.6° |
| N3 | C10 | C12 | 105.2° | 107.5° |
| N3 | C10 | H15 | 109.3° | 109.9° |
| C10 | N3 | C9 | 125.4° | 125.4° |
| N3 | C14 | C13 | 101.4° | 108.1° |
| N3 | C14 | C15 | 112.4° | 109.7° |
| N3 | C14 | H18 | 110.3° | 109.7° |
| C14 | N3 | C9 | 119.9° | 125.9° |
| C11 | C10 | C12 | 112.3° | 109.9° |
| C11 | C10 | H15 | 108.7° | 109.8° |
| C10 | C11 | O4 | 120.3° | 120.8° |
| C10 | C11 | N4 | 117.7° | 118.4° |
| C12 | C10 | H15 | 108.9° | 110.0° |
| C10 | C12 | C13 | 105.9° | 106.4° |
| C10 | C12 | H16 | 110.4° | 110.0° |
| C10 | C12 | H17 | 110.3° | 110.1° |
| O4 | C11 | N4 | 121.8° | 120.8° |
| C13 | C12 | H16 | 110.4° | 110.0° |
| C13 | C12 | H17 | 110.4° | 110.1° |
| C12 | C13 | C14 | 111.0° | 106.7° |
| C12 | C13 | O5 | 125.6° | 126.7° |
| H16 | C12 | H17 | 109.5° | 110.1° |
| C14 | C13 | O5 | 123.4° | 126.6° |
| C13 | C14 | C15 | 113.5° | 109.8° |
| C13 | C14 | H18 | 109.3° | 109.7° |
| C15 | C14 | H18 | 109.6° | 109.7° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.4° |
| C14 | C15 | H21 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.4° | 109.5° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| C16 | N4 | C18 | 117.7° | 122.8° |
| N4 | C16 | C17 | 109.8° | 108.2° |
| N4 | C16 | H22 | 109.4° | 109.7° |
| N4 | C16 | H23 | 109.4° | 109.8° |
| C16 | N4 | C11 | 122.3° | 114.4° |
| N4 | C18 | H24 | 109.5° | 109.5° |
| N4 | C18 | H25 | 109.4° | 109.5° |
| N4 | C18 | H26 | 109.5° | 109.5° |
| C18 | N4 | C11 | 117.9° | 122.8° |
| C17 | C16 | H22 | 109.4° | 109.7° |
| C17 | C16 | H23 | 109.4° | 109.7° |
| C16 | C17 | O6 | 120.6° | 120.5° |
| C16 | C17 | N5 | 117.8° | 119.1° |
| H22 | C16 | H23 | 109.5° | 109.7° |
| O6 | C17 | N5 | 121.6° | 120.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| C19 | N5 | C20 | 117.8° | 121.9° |
| N5 | C19 | H27 | 109.5° | 109.4° |
| N5 | C19 | H28 | 109.5° | 109.5° |
| N5 | C19 | H29 | 109.4° | 109.5° |
| C19 | N5 | C17 | 123.5° | 122.0° |
| N5 | C20 | C21 | 111.2° | 109.6° |
| N5 | C20 | C22 | 114.0° | 108.8° |
| N5 | C20 | H30 | 107.5° | 109.5° |
| C20 | N5 | C17 | 116.6° | 116.0° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.4° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| C21 | C20 | C22 | 110.4° | 109.6° |
| C21 | C20 | H30 | 106.5° | 109.6° |
| C20 | C21 | H31 | 109.5° | 109.4° |
| C20 | C21 | H32 | 109.5° | 109.4° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C22 | C20 | H30 | 106.8° | 109.8° |
| C20 | C22 | O7 | 124.7° | 120.0° |
| C20 | C22 | O2 | 111.4° | 120.1° |
| H31 | C21 | H32 | 109.4° | 109.5° |
| H31 | C21 | H33 | 109.4° | 109.5° |
| H32 | C21 | H33 | 109.4° | 109.5° |
| O7 | C22 | O2 | 123.5° | 120.0° |
| C24 | C23 | C25 | 118.7° | 120.5° |
| C24 | C23 | C33 | 121.7° | 120.6° |
| C23 | C24 | O8 | 119.8° | 120.0° |
| C23 | C24 | N1 | 118.6° | 120.0° |
| C25 | C23 | C33 | 119.5° | 118.9° |
| C23 | C25 | N6 | 125.7° | 120.1° |
| C23 | C25 | C26 | 120.6° | 119.9° |
| C23 | C33 | N7 | 121.3° | 120.8° |
| C23 | C33 | C34 | 117.6° | 119.4° |
| O8 | C24 | N1 | 121.0° | 120.0° |
| N6 | C25 | C26 | 113.6° | 120.1° |
| C25 | N6 | H34 | 109.5° | 120.0° |
| C25 | N6 | H35 | 109.5° | 120.0° |
| C25 | C26 | O9 | 117.8° | 119.5° |
| C25 | C26 | C27 | 120.0° | 120.9° |
| H34 | N6 | H35 | 109.4° | 120.0° |
| O9 | C26 | C27 | 122.1° | 119.5° |
| C26 | C27 | C34 | 117.9° | 120.8° |
| C26 | C27 | C37 | 120.1° | 119.6° |
| C34 | C27 | C37 | 122.0° | 119.6° |
| C27 | C34 | O10 | 117.6° | 120.8° |
| C27 | C34 | C33 | 124.1° | 120.1° |
| C27 | C37 | H38 | 109.5° | 109.5° |
| C27 | C37 | H39 | 109.5° | 109.5° |
| C27 | C37 | H40 | 109.5° | 109.5° |
| C34 | O10 | C35 | 120.9° | 119.3° |
| O10 | C34 | C33 | 118.2° | 119.1° |
| O10 | C35 | C28 | 116.4° | 119.8° |
| O10 | C35 | C36 | 119.3° | 120.5° |
| C29 | C28 | C35 | 115.8° | 120.3° |
| C29 | C28 | C38 | 123.6° | 119.8° |
| C28 | C29 | C30 | 121.3° | 120.8° |
| C28 | C29 | H36 | 119.3° | 119.6° |
| C35 | C28 | C38 | 120.5° | 119.9° |
| C28 | C35 | C36 | 124.4° | 119.7° |
| C28 | C38 | H41 | 109.5° | 109.4° |
| C28 | C38 | H42 | 109.5° | 109.4° |
| C28 | C38 | H43 | 109.4° | 109.5° |
| C30 | C29 | H36 | 119.3° | 119.6° |
| C29 | C30 | C31 | 121.7° | 120.3° |
| C29 | C30 | H37 | 119.2° | 119.8° |
| C31 | C30 | H37 | 119.1° | 119.9° |
| C30 | C31 | C32 | 118.0° | 120.2° |
| C30 | C31 | C36 | 118.0° | 119.5° |
| C32 | C31 | C36 | 123.8° | 120.2° |
| C31 | C32 | O11 | 119.9° | 120.0° |
| C31 | C32 | N8 | 117.0° | 120.0° |
| C31 | C36 | N7 | 119.8° | 119.8° |
| C31 | C36 | C35 | 118.7° | 119.3° |
| O11 | C32 | N8 | 122.8° | 120.0° |
| C33 | N7 | C36 | 118.7° | 120.3° |
| N7 | C33 | C34 | 121.1° | 119.8° |
| N7 | C36 | C35 | 121.5° | 120.9° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H40 | 109.4° | 109.5° |
| H39 | C37 | H40 | 109.5° | 109.5° |
| H41 | C38 | H42 | 109.5° | 109.5° |
| H41 | C38 | H43 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| C39 | N8 | H44 | 118.9° | 120.0° |
| N8 | C39 | C40 | 107.8° | 109.5° |
| N8 | C39 | C41 | 114.0° | 109.5° |
| N8 | C39 | H45 | 109.3° | 109.5° |
| C39 | N8 | C32 | 122.1° | 120.0° |
| H44 | N8 | C32 | 119.0° | 120.0° |
| C40 | C39 | C41 | 108.3° | 109.5° |
| C40 | C39 | H45 | 108.3° | 109.5° |
| C39 | C40 | O12 | 121.3° | 120.7° |
| C39 | C40 | N9 | 115.3° | 118.6° |
| C41 | C39 | H45 | 108.9° | 109.4° |
| C39 | C41 | O13 | 108.8° | 109.4° |
| C39 | C41 | C42 | 116.2° | 109.4° |
| C39 | C41 | H46 | 108.4° | 109.5° |
| O12 | C40 | N9 | 123.3° | 120.7° |
| O13 | C41 | C42 | 106.9° | 109.5° |
| O13 | C41 | H46 | 108.7° | 109.5° |
| C41 | O13 | C62 | 117.2° | 116.9° |
| C42 | C41 | H46 | 107.6° | 109.5° |
| C41 | C42 | H47 | 109.5° | 109.5° |
| C41 | C42 | H48 | 109.5° | 109.4° |
| C41 | C42 | H49 | 109.5° | 109.5° |
| H47 | C42 | H48 | 109.4° | 109.5° |
| H47 | C42 | H49 | 109.5° | 109.5° |
| H48 | C42 | H49 | 109.5° | 109.5° |
| C43 | N9 | H50 | 118.4° | 122.8° |
| N9 | C43 | C44 | 109.2° | 109.7° |
| N9 | C43 | C47 | 110.5° | 108.2° |
| N9 | C43 | H51 | 109.7° | 109.7° |
| C43 | N9 | C40 | 123.2° | 114.4° |
| H50 | N9 | C40 | 118.4° | 122.8° |
| C44 | C43 | C47 | 109.7° | 109.7° |
| C44 | C43 | H51 | 108.8° | 109.7° |
| C43 | C44 | C45 | 111.9° | 109.5° |
| C43 | C44 | C46 | 108.9° | 109.5° |
| C43 | C44 | H52 | 108.9° | 109.5° |
| C47 | C43 | H51 | 108.9° | 109.7° |
| C43 | C47 | O14 | 120.5° | 119.9° |
| C43 | C47 | N10 | 118.0° | 120.2° |
| C45 | C44 | C46 | 109.6° | 109.4° |
| C45 | C44 | H52 | 108.6° | 109.5° |
| C44 | C45 | H53 | 109.5° | 109.5° |
| C44 | C45 | H54 | 109.5° | 109.5° |
| C44 | C45 | H55 | 109.5° | 109.5° |
| C46 | C44 | H52 | 109.0° | 109.5° |
| C44 | C46 | H56 | 109.5° | 109.5° |
| C44 | C46 | H57 | 109.5° | 109.5° |
| C44 | C46 | H58 | 109.5° | 109.5° |
| H53 | C45 | H54 | 109.5° | 109.5° |
| H53 | C45 | H55 | 109.5° | 109.4° |
| H54 | C45 | H55 | 109.5° | 109.5° |
| H56 | C46 | H57 | 109.4° | 109.5° |
| H56 | C46 | H58 | 109.5° | 109.4° |
| H57 | C46 | H58 | 109.5° | 109.5° |
| O14 | C47 | N10 | 121.2° | 119.9° |
| C48 | N10 | C52 | 112.4° | 109.0° |
| N10 | C48 | C49 | 113.1° | 109.6° |
| N10 | C48 | C50 | 103.7° | 107.8° |
| N10 | C48 | H59 | 110.8° | 109.8° |
| C48 | N10 | C47 | 123.7° | 125.4° |
| N10 | C52 | C51 | 103.6° | 107.7° |
| N10 | C52 | C53 | 112.0° | 109.8° |
| N10 | C52 | H63 | 109.8° | 109.9° |
| C52 | N10 | C47 | 121.8° | 125.6° |
| C49 | C48 | C50 | 108.9° | 109.9° |
| C49 | C48 | H59 | 110.2° | 109.8° |
| C48 | C49 | O15 | 119.7° | 120.8° |
| C48 | C49 | N11 | 118.0° | 118.4° |
| C50 | C48 | H59 | 109.9° | 110.0° |
| C48 | C50 | C51 | 102.7° | 106.2° |
| C48 | C50 | O16 | 111.6° | 110.1° |
| C48 | C50 | H60 | 108.6° | 110.1° |
| O15 | C49 | N11 | 122.1° | 120.8° |
| C51 | C50 | O16 | 114.2° | 110.1° |
| C51 | C50 | H60 | 108.8° | 110.2° |
| C50 | C51 | C52 | 106.0° | 106.0° |
| C50 | C51 | H61 | 110.3° | 110.1° |
| C50 | C51 | H62 | 110.3° | 110.2° |
| O16 | C50 | H60 | 110.5° | 110.1° |
| C50 | O16 | H64 | 109.5° | 113.9° |
| C52 | C51 | H61 | 110.3° | 110.2° |
| C52 | C51 | H62 | 110.3° | 110.1° |
| C51 | C52 | C53 | 113.2° | 109.8° |
| C51 | C52 | H63 | 108.9° | 109.8° |
| H61 | C51 | H62 | 109.5° | 110.2° |
| C53 | C52 | H63 | 109.2° | 109.8° |
| C52 | C53 | H65 | 109.5° | 109.4° |
| C52 | C53 | H66 | 109.5° | 109.5° |
| C52 | C53 | H67 | 109.5° | 109.5° |
| H65 | C53 | H66 | 109.5° | 109.5° |
| H65 | C53 | H67 | 109.4° | 109.5° |
| H66 | C53 | H67 | 109.5° | 109.4° |
| C54 | N11 | C56 | 113.9° | 122.7° |
| N11 | C54 | C55 | 113.0° | 108.3° |
| N11 | C54 | H68 | 108.6° | 109.6° |
| N11 | C54 | H69 | 108.6° | 109.7° |
| C54 | N11 | C49 | 124.7° | 114.5° |
| N11 | C56 | H70 | 109.5° | 109.4° |
| N11 | C56 | H71 | 109.5° | 109.5° |
| N11 | C56 | H72 | 109.5° | 109.5° |
| C56 | N11 | C49 | 120.4° | 122.8° |
| C55 | C54 | H68 | 108.6° | 109.8° |
| C55 | C54 | H69 | 108.6° | 109.7° |
| C54 | C55 | O17 | 119.1° | 120.4° |
| C54 | C55 | N12 | 118.3° | 119.0° |
| H68 | C54 | H69 | 109.5° | 109.7° |
| O17 | C55 | N12 | 122.6° | 120.5° |
| H70 | C56 | H71 | 109.4° | 109.5° |
| H70 | C56 | H72 | 109.5° | 109.4° |
| H71 | C56 | H72 | 109.5° | 109.4° |
| C57 | N12 | C58 | 118.9° | 122.0° |
| N12 | C57 | H73 | 109.5° | 109.5° |
| N12 | C57 | H74 | 109.5° | 109.5° |
| N12 | C57 | H75 | 109.5° | 109.5° |
| C57 | N12 | C55 | 123.3° | 122.0° |
| N12 | C58 | C59 | 115.9° | 109.6° |
| N12 | C58 | C62 | 112.1° | 108.8° |
| N12 | C58 | H76 | 106.1° | 109.6° |
| C58 | N12 | C55 | 117.8° | 116.0° |
| H73 | C57 | H74 | 109.5° | 109.4° |
| H73 | C57 | H75 | 109.4° | 109.5° |
| H74 | C57 | H75 | 109.5° | 109.5° |
| C59 | C58 | C62 | 111.0° | 109.6° |
| C59 | C58 | H76 | 105.1° | 109.5° |
| C58 | C59 | C60 | 110.5° | 109.5° |
| C58 | C59 | C61 | 108.6° | 109.5° |
| C58 | C59 | H77 | 107.8° | 109.4° |
| C62 | C58 | H76 | 105.6° | 109.6° |
| C58 | C62 | O18 | 124.2° | 119.9° |
| C58 | C62 | O13 | 111.7° | 120.1° |
| C60 | C59 | C61 | 113.1° | 109.5° |
| C60 | C59 | H77 | 108.4° | 109.5° |
| C59 | C60 | H78 | 109.5° | 109.4° |
| C59 | C60 | H79 | 109.5° | 109.5° |
| C59 | C60 | H80 | 109.5° | 109.5° |
| C61 | C59 | H77 | 108.2° | 109.4° |
| C59 | C61 | H81 | 109.5° | 109.5° |
| C59 | C61 | H82 | 109.5° | 109.5° |
| C59 | C61 | H83 | 109.4° | 109.4° |
| H78 | C60 | H79 | 109.5° | 109.5° |
| H78 | C60 | H80 | 109.5° | 109.4° |
| H79 | C60 | H80 | 109.5° | 109.5° |
| H81 | C61 | H82 | 109.5° | 109.4° |
| H81 | C61 | H83 | 109.5° | 109.5° |
| H82 | C61 | H83 | 109.5° | 109.4° |
| O18 | C62 | O13 | 124.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C24 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 121.5° | 120.0° |
| N1 | C1 | C2 | H2 | 121.0° | 120.0° |
| N1 | C1 | C3 | H2 | 123.8° | 120.0° |
| N1 | C1 | C2 | O1 | 25.1° | 113.1° |
| N1 | C1 | C3 | C4 | 58.7° | 59.8° |
| N1 | C1 | C3 | O2 | 63.3° | 60.2° |
| N1 | C1 | C3 | H3 | 178.7° | 179.8° |
| C1 | N1 | C24 | C23 | 172.3° | 175.4° |
| C1 | N1 | C24 | O8 | 1.2° | 4.7° |
| N1 | C1 | C2 | N2 | 157.9° | 66.9° |
| H1 | N1 | C1 | C2 | 30.2° | 82.5° |
| H1 | N1 | C1 | C3 | 86.3° | 37.5° |
| H1 | N1 | C1 | H2 | 150.5° | 157.5° |
| H1 | N1 | C24 | C23 | 7.8° | 4.8° |
| H1 | N1 | C24 | O8 | 178.8° | 175.1° |
| C2 | C1 | C3 | H2 | 117.5° | 120.0° |
| C1 | C2 | O1 | N2 | 176.7° | 180.0° |
| C2 | C1 | C3 | C4 | 177.5° | 179.8° |
| C2 | C1 | C3 | O2 | 55.4° | 59.8° |
| C2 | C1 | C3 | H3 | 62.5° | 60.2° |
| C1 | C2 | N2 | C5 | 159.5° | 179.3° |
| C1 | C2 | N2 | H6 | 20.5° | 0.7° |
| C2 | C1 | N1 | C24 | 149.8° | 97.3° |
| C3 | C1 | C2 | O1 | 96.4° | 6.9° |
| C1 | C3 | C4 | O2 | 121.7° | 120.0° |
| C1 | C3 | C4 | H3 | 119.8° | 120.0° |
| C1 | C3 | O2 | H3 | 117.1° | 120.0° |
| C1 | C3 | C4 | CL1 | 78.2° | 57.5° |
| C1 | C3 | C4 | H4 | 42.3° | 62.6° |
| C1 | C3 | C4 | H5 | 161.4° | 177.5° |
| C3 | C1 | N1 | C24 | 93.7° | 142.7° |
| C3 | C1 | C2 | N2 | 80.6° | 173.1° |
| C1 | C3 | O2 | C22 | 153.7° | 177.6° |
| H2 | C1 | C2 | O1 | 146.1° | 126.9° |
| H2 | C1 | C3 | C4 | 65.0° | 60.2° |
| H2 | C1 | C3 | O2 | 172.9° | 179.8° |
| H2 | C1 | C3 | H3 | 55.0° | 59.8° |
| H2 | C1 | N1 | C24 | 29.5° | 22.7° |
| H2 | C1 | C2 | N2 | 36.9° | 53.1° |
| O1 | C2 | N2 | C5 | 17.4° | 0.7° |
| O1 | C2 | N2 | H6 | 162.6° | 179.3° |
| C4 | C3 | O2 | H3 | 118.0° | 120.0° |
| C3 | C4 | CL1 | H4 | 120.4° | 120.0° |
| C3 | C4 | CL1 | H5 | 120.4° | 120.0° |
| C3 | C4 | H4 | H5 | 118.7° | 120.0° |
| C4 | C3 | O2 | C22 | 81.4° | 62.5° |
| O2 | C3 | C4 | CL1 | 160.2° | 177.4° |
| O2 | C3 | C4 | H4 | 79.4° | 57.4° |
| O2 | C3 | C4 | H5 | 39.7° | 62.6° |
| C3 | O2 | C22 | C20 | 175.4° | 180.0° |
| C3 | O2 | C22 | O7 | 2.0° | 0.0° |
| H3 | C3 | C4 | CL1 | 41.6° | 62.6° |
| H3 | C3 | C4 | H4 | 162.1° | 177.4° |
| H3 | C3 | C4 | H5 | 78.8° | 57.4° |
| H3 | C3 | O2 | C22 | 36.5° | 57.5° |
| CL1 | C4 | H4 | H5 | 118.6° | 120.0° |
| C5 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | C9 | 123.1° | 118.7° |
| N2 | C5 | C6 | H7 | 119.1° | 120.6° |
| N2 | C5 | C9 | H7 | 118.7° | 119.7° |
| N2 | C5 | C6 | C7 | 71.9° | 60.2° |
| N2 | C5 | C6 | C8 | 56.4° | 59.9° |
| N2 | C5 | C6 | H8 | 174.9° | 179.8° |
| N2 | C5 | C9 | O3 | 57.3° | 11.0° |
| N2 | C5 | C9 | N3 | 126.0° | 169.0° |
| H6 | N2 | C5 | C6 | 24.4° | 15.0° |
| H6 | N2 | C5 | C9 | 98.8° | 134.7° |
| H6 | N2 | C5 | H7 | 143.1° | 105.6° |
| C6 | C5 | C9 | H7 | 117.9° | 120.7° |
| C5 | C6 | C7 | C8 | 131.6° | 120.0° |
| C5 | C6 | C7 | H8 | 113.2° | 120.0° |
| C5 | C6 | C8 | H8 | 118.1° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 60.0° |
| C5 | C6 | C7 | H10 | 60.0° | 180.0° |
| C5 | C6 | C7 | H11 | 60.0° | 59.9° |
| C5 | C6 | C8 | H12 | 180.0° | 65.0° |
| C5 | C6 | C8 | H13 | 60.0° | 175.0° |
| C5 | C6 | C8 | H14 | 60.0° | 55.0° |
| C6 | C5 | C9 | O3 | 66.2° | 130.7° |
| C6 | C5 | N2 | C2 | 155.6° | 165.0° |
| C6 | C5 | C9 | N3 | 110.6° | 49.3° |
| C9 | C5 | C6 | C7 | 165.0° | 58.5° |
| C9 | C5 | C6 | C8 | 66.7° | 178.6° |
| C9 | C5 | C6 | H8 | 51.8° | 61.5° |
| C5 | C9 | O3 | N3 | 176.6° | 180.0° |
| C5 | C9 | N3 | C10 | 21.5° | 179.5° |
| C5 | C9 | N3 | C14 | 170.9° | 0.6° |
| C9 | C5 | N2 | C2 | 81.2° | 45.3° |
| H7 | C5 | C6 | C7 | 47.2° | 179.2° |
| H7 | C5 | C6 | C8 | 175.5° | 60.7° |
| H7 | C5 | C6 | H8 | 66.0° | 59.2° |
| H7 | C5 | C9 | O3 | 176.0° | 108.6° |
| H7 | C5 | N2 | C2 | 36.9° | 74.4° |
| H7 | C5 | C9 | N3 | 7.3° | 71.3° |
| C7 | C6 | C8 | H8 | 114.7° | 120.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.1° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 52.8° | 175.0° |
| C7 | C6 | C8 | H13 | 172.8° | 55.0° |
| C7 | C6 | C8 | H14 | 67.2° | 65.0° |
| C8 | C6 | C7 | H9 | 48.4° | 60.1° |
| C8 | C6 | C7 | H10 | 71.6° | 60.0° |
| C8 | C6 | C7 | H11 | 168.4° | 180.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.1° |
| H8 | C6 | C7 | H9 | 66.8° | 180.0° |
| H8 | C6 | C7 | H10 | 173.2° | 60.0° |
| H8 | C6 | C7 | H11 | 53.2° | 60.1° |
| H8 | C6 | C8 | H12 | 61.9° | 55.0° |
| H8 | C6 | C8 | H13 | 58.1° | 65.0° |
| H8 | C6 | C8 | H14 | 178.1° | 175.0° |
| H9 | C7 | H10 | H11 | 120.0° | 119.9° |
| H12 | C8 | H13 | H14 | 120.0° | 119.9° |
| O3 | C9 | N3 | C10 | 161.6° | 0.6° |
| O3 | C9 | N3 | C14 | 5.9° | 179.3° |
| C10 | N3 | C14 | C9 | 169.0° | 179.9° |
| N3 | C10 | C11 | C12 | 118.3° | 118.0° |
| N3 | C10 | C11 | H15 | 121.1° | 120.8° |
| N3 | C10 | C12 | H15 | 117.1° | 119.7° |
| N3 | C10 | C11 | O4 | 17.4° | 60.9° |
| N3 | C10 | C12 | C13 | 14.5° | 6.3° |
| N3 | C10 | C12 | H16 | 133.9° | 112.9° |
| N3 | C10 | C12 | H17 | 105.0° | 125.6° |
| C10 | N3 | C14 | C13 | 13.6° | 16.4° |
| C10 | N3 | C14 | C15 | 108.0° | 136.1° |
| C10 | N3 | C14 | H18 | 129.3° | 103.2° |
| N3 | C10 | C11 | N4 | 167.3° | 119.0° |
| C14 | N3 | C10 | C11 | 104.1° | 133.6° |
| C14 | N3 | C10 | C12 | 18.3° | 14.1° |
| C14 | N3 | C10 | H15 | 135.2° | 105.6° |
| N3 | C14 | C13 | C12 | 3.6° | 12.1° |
| N3 | C14 | C13 | C15 | 120.8° | 119.7° |
| N3 | C14 | C13 | H18 | 116.5° | 119.7° |
| N3 | C14 | C13 | O5 | 176.9° | 167.9° |
| N3 | C14 | C15 | H18 | 123.1° | 120.6° |
| N3 | C14 | C15 | H19 | 180.0° | 54.8° |
| N3 | C14 | C15 | H20 | 60.0° | 174.8° |
| N3 | C14 | C15 | H21 | 60.0° | 65.2° |
| C11 | C10 | C12 | H15 | 120.4° | 121.0° |
| C10 | C11 | O4 | N4 | 175.1° | 180.0° |
| C11 | C10 | C12 | C13 | 108.0° | 125.6° |
| C11 | C10 | C12 | H16 | 11.4° | 6.4° |
| C11 | C10 | C12 | H17 | 132.6° | 115.1° |
| C10 | C11 | N4 | C16 | 17.3° | 178.5° |
| C10 | C11 | N4 | C18 | 179.6° | 1.5° |
| C11 | C10 | N3 | C9 | 87.7° | 46.3° |
| C12 | C10 | C11 | O4 | 100.9° | 57.1° |
| C10 | C12 | C13 | H16 | 119.5° | 119.2° |
| C10 | C12 | C13 | H17 | 119.4° | 119.3° |
| C10 | C12 | H16 | H17 | 121.6° | 121.5° |
| C10 | C12 | C13 | C14 | 6.9° | 3.5° |
| C10 | C12 | C13 | O5 | 172.6° | 176.5° |
| C12 | C10 | N3 | C9 | 149.9° | 165.8° |
| C12 | C10 | C11 | N4 | 74.4° | 122.9° |
| H15 | C10 | C11 | O4 | 138.5° | 178.2° |
| H15 | C10 | C12 | C13 | 131.6° | 113.4° |
| H15 | C10 | C12 | H16 | 109.0° | 127.4° |
| H15 | C10 | C12 | H17 | 12.1° | 5.9° |
| H15 | C10 | N3 | C9 | 33.1° | 74.4° |
| H15 | C10 | C11 | N4 | 46.2° | 1.8° |
| O4 | C11 | N4 | C16 | 167.5° | 1.5° |
| O4 | C11 | N4 | C18 | 4.4° | 178.5° |
| C13 | C12 | H16 | H17 | 121.7° | 121.5° |
| C12 | C13 | C14 | O5 | 179.5° | 180.0° |
| C12 | C13 | C14 | C15 | 117.1° | 131.8° |
| C12 | C13 | C14 | H18 | 120.1° | 107.6° |
| H16 | C12 | C13 | C14 | 126.3° | 122.7° |
| H16 | C12 | C13 | O5 | 53.2° | 57.3° |
| H17 | C12 | C13 | C14 | 112.6° | 115.8° |
| H17 | C12 | C13 | O5 | 67.9° | 64.1° |
| C13 | C14 | C15 | H18 | 122.6° | 120.7° |
| C13 | C14 | C15 | H19 | 65.6° | 63.9° |
| C13 | C14 | C15 | H20 | 174.4° | 56.1° |
| C13 | C14 | C15 | H21 | 54.4° | 176.1° |
| C13 | C14 | N3 | C9 | 155.4° | 163.5° |
| O5 | C13 | C14 | C15 | 62.4° | 48.2° |
| O5 | C13 | C14 | H18 | 60.4° | 72.4° |
| C14 | C15 | H19 | H20 | 120.0° | 119.9° |
| C14 | C15 | H19 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C15 | C14 | N3 | C9 | 83.1° | 43.8° |
| H18 | C14 | C15 | H19 | 56.9° | 175.5° |
| H18 | C14 | C15 | H20 | 63.1° | 64.6° |
| H18 | C14 | C15 | H21 | 176.9° | 55.4° |
| H18 | C14 | N3 | C9 | 39.6° | 76.8° |
| H19 | C15 | H20 | H21 | 120.0° | 120.1° |
| C16 | N4 | C18 | C11 | 163.8° | 180.0° |
| N4 | C16 | C17 | H22 | 120.0° | 119.6° |
| N4 | C16 | C17 | H23 | 120.1° | 119.7° |
| N4 | C16 | H22 | H23 | 119.9° | 120.7° |
| N4 | C16 | C17 | O6 | 11.0° | 47.0° |
| C16 | N4 | C18 | H24 | 180.0° | 87.2° |
| C16 | N4 | C18 | H25 | 60.0° | 32.9° |
| C16 | N4 | C18 | H26 | 60.0° | 152.8° |
| N4 | C16 | C17 | N5 | 168.9° | 133.0° |
| C18 | N4 | C16 | C17 | 79.3° | 58.0° |
| C18 | N4 | C16 | H22 | 160.6° | 61.7° |
| C18 | N4 | C16 | H23 | 40.7° | 177.7° |
| N4 | C18 | H24 | H25 | 120.0° | 120.0° |
| N4 | C18 | H24 | H26 | 120.0° | 120.0° |
| N4 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C16 | H22 | H23 | 119.8° | 120.6° |
| C16 | C17 | O6 | N5 | 180.0° | 180.0° |
| C16 | C17 | N5 | C19 | 1.0° | 3.4° |
| C16 | C17 | N5 | C20 | 164.3° | 176.5° |
| C17 | C16 | N4 | C11 | 83.7° | 122.0° |
| H22 | C16 | C17 | O6 | 109.0° | 72.6° |
| H22 | C16 | N4 | C11 | 36.3° | 118.3° |
| H22 | C16 | C17 | N5 | 71.0° | 107.4° |
| H23 | C16 | C17 | O6 | 131.1° | 166.8° |
| H23 | C16 | N4 | C11 | 156.2° | 2.3° |
| H23 | C16 | C17 | N5 | 48.9° | 13.3° |
| O6 | C17 | N5 | C19 | 179.0° | 176.6° |
| O6 | C17 | N5 | C20 | 15.7° | 3.5° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H24 | C18 | N4 | C11 | 16.1° | 92.8° |
| H25 | C18 | N4 | C11 | 103.9° | 147.2° |
| H26 | C18 | N4 | C11 | 136.2° | 27.2° |
| C19 | N5 | C20 | C17 | 164.3° | 179.9° |
| N5 | C19 | H27 | H28 | 120.0° | 120.0° |
| N5 | C19 | H27 | H29 | 120.0° | 120.0° |
| N5 | C19 | H28 | H29 | 120.0° | 120.1° |
| C19 | N5 | C20 | C21 | 93.4° | 55.0° |
| C19 | N5 | C20 | C22 | 141.0° | 64.8° |
| C19 | N5 | C20 | H30 | 22.8° | 175.2° |
| C20 | N5 | C19 | H27 | 180.0° | 175.7° |
| C20 | N5 | C19 | H28 | 60.0° | 55.7° |
| C20 | N5 | C19 | H29 | 60.0° | 64.3° |
| N5 | C20 | C21 | C22 | 127.6° | 119.3° |
| N5 | C20 | C21 | H30 | 116.8° | 120.2° |
| N5 | C20 | C22 | H30 | 118.6° | 119.8° |
| N5 | C20 | C21 | H31 | 180.0° | 65.0° |
| N5 | C20 | C21 | H32 | 60.0° | 175.0° |
| N5 | C20 | C21 | H33 | 60.0° | 55.0° |
| N5 | C20 | C22 | O7 | 135.3° | 108.8° |
| N5 | C20 | C22 | O2 | 51.3° | 71.3° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
| H27 | C19 | N5 | C17 | 16.9° | 4.2° |
| H28 | C19 | N5 | C17 | 103.1° | 124.2° |
| H29 | C19 | N5 | C17 | 136.9° | 115.8° |
| C21 | C20 | C22 | H30 | 115.4° | 120.4° |
| C20 | C21 | H31 | H32 | 120.0° | 119.9° |
| C20 | C21 | H31 | H33 | 120.0° | 120.1° |
| C20 | C21 | H32 | H33 | 120.0° | 120.1° |
| C21 | C20 | C22 | O7 | 9.3° | 11.0° |
| C21 | C20 | C22 | O2 | 177.4° | 168.9° |
| C21 | C20 | N5 | C17 | 70.9° | 125.1° |
| C22 | C20 | C21 | H31 | 52.4° | 54.3° |
| C22 | C20 | C21 | H32 | 172.4° | 65.7° |
| C22 | C20 | C21 | H33 | 67.6° | 174.3° |
| C20 | C22 | O7 | O2 | 172.5° | 179.9° |
| C22 | C20 | N5 | C17 | 54.7° | 115.1° |
| H30 | C20 | C21 | H31 | 63.2° | 174.8° |
| H30 | C20 | C21 | H32 | 56.8° | 54.9° |
| H30 | C20 | C21 | H33 | 176.8° | 65.2° |
| H30 | C20 | C22 | O7 | 106.1° | 131.4° |
| H30 | C20 | C22 | O2 | 67.2° | 48.5° |
| H30 | C20 | N5 | C17 | 172.9° | 4.9° |
| H31 | C21 | H32 | H33 | 119.9° | 120.0° |
| C24 | C23 | C25 | C33 | 177.1° | 179.8° |
| C23 | C24 | O8 | N1 | 170.9° | 180.0° |
| C24 | C23 | C25 | N6 | 4.2° | 0.0° |
| C24 | C23 | C25 | C26 | 172.9° | 180.0° |
| C24 | C23 | C33 | N7 | 6.9° | 0.0° |
| C24 | C23 | C33 | C34 | 174.0° | 179.7° |
| C25 | C23 | C24 | O8 | 26.3° | 158.8° |
| C23 | C25 | N6 | C26 | 177.2° | 180.0° |
| C23 | C25 | N6 | H34 | 180.0° | 15.4° |
| C23 | C25 | N6 | H35 | 60.0° | 164.5° |
| C23 | C25 | C26 | O9 | 174.0° | 180.0° |
| C23 | C25 | C26 | C27 | 4.7° | 0.0° |
| C25 | C23 | C33 | N7 | 176.1° | 179.7° |
| C25 | C23 | C33 | C34 | 3.0° | 0.5° |
| C25 | C23 | C24 | N1 | 144.9° | 21.2° |
| C33 | C23 | C24 | O8 | 156.7° | 20.9° |
| C33 | C23 | C25 | N6 | 178.7° | 179.7° |
| C33 | C23 | C25 | C26 | 4.3° | 0.2° |
| C23 | C33 | C34 | C27 | 2.3° | 0.5° |
| C23 | C33 | C34 | O10 | 177.4° | 179.7° |
| C23 | C33 | N7 | C34 | 179.1° | 179.7° |
| C23 | C33 | N7 | C36 | 178.1° | 180.0° |
| C33 | C23 | C24 | N1 | 32.2° | 159.0° |
| C25 | N6 | H34 | H35 | 120.0° | 180.0° |
| N6 | C25 | C26 | O9 | 3.4° | 0.0° |
| N6 | C25 | C26 | C27 | 177.9° | 180.0° |
| C26 | C25 | N6 | H34 | 2.7° | 164.6° |
| C26 | C25 | N6 | H35 | 117.2° | 15.5° |
| C25 | C26 | O9 | C27 | 178.7° | 180.0° |
| C25 | C26 | C27 | C34 | 3.8° | 0.0° |
| C25 | C26 | C27 | C37 | 177.5° | 180.0° |
| O9 | C26 | C27 | C34 | 174.8° | 180.0° |
| O9 | C26 | C27 | C37 | 3.8° | 0.0° |
| C26 | C27 | C34 | C37 | 178.6° | 180.0° |
| C26 | C27 | C34 | O10 | 177.0° | 180.0° |
| C26 | C27 | C34 | C33 | 2.8° | 0.3° |
| C26 | C27 | C37 | H38 | 180.0° | 0.0° |
| C26 | C27 | C37 | H39 | 60.0° | 120.0° |
| C26 | C27 | C37 | H40 | 60.0° | 120.0° |
| C27 | C34 | O10 | C33 | 179.7° | 179.7° |
| C27 | C34 | O10 | C35 | 176.5° | 179.9° |
| C27 | C34 | C33 | N7 | 176.7° | 179.7° |
| C34 | C27 | C37 | H38 | 1.4° | 180.0° |
| C34 | C27 | C37 | H39 | 118.6° | 60.0° |
| C34 | C27 | C37 | H40 | 121.4° | 60.0° |
| C37 | C27 | C34 | O10 | 1.7° | 0.0° |
| C37 | C27 | C34 | C33 | 178.6° | 179.7° |
| C27 | C37 | H38 | H39 | 120.0° | 120.0° |
| C27 | C37 | H38 | H40 | 120.0° | 120.0° |
| C27 | C37 | H39 | H40 | 120.0° | 120.0° |
| C34 | O10 | C35 | C28 | 179.6° | 180.0° |
| O10 | C34 | C33 | N7 | 3.5° | 0.0° |
| C34 | O10 | C35 | C36 | 0.2° | 0.9° |
| O10 | C35 | C28 | C29 | 178.6° | 179.9° |
| O10 | C35 | C28 | C36 | 179.4° | 179.0° |
| O10 | C35 | C28 | C38 | 2.4° | 0.1° |
| O10 | C35 | C36 | C31 | 177.7° | 179.7° |
| O10 | C35 | C36 | N7 | 4.9° | 1.3° |
| C35 | O10 | C34 | C33 | 3.8° | 0.3° |
| C29 | C28 | C35 | C38 | 179.1° | 180.0° |
| C28 | C29 | C30 | H36 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 2.9° | 1.1° |
| C28 | C29 | C30 | H37 | 177.1° | 180.0° |
| C29 | C28 | C35 | C36 | 0.8° | 0.9° |
| C29 | C28 | C38 | H41 | 89.4° | 90.0° |
| C29 | C28 | C38 | H42 | 150.6° | 150.1° |
| C29 | C28 | C38 | H43 | 30.6° | 30.0° |
| C35 | C28 | C29 | C30 | 1.5° | 0.1° |
| C35 | C28 | C29 | H36 | 178.5° | 180.0° |
| C28 | C35 | C36 | C31 | 1.7° | 0.6° |
| C28 | C35 | C36 | N7 | 175.7° | 179.7° |
| C35 | C28 | C38 | H41 | 89.5° | 90.0° |
| C35 | C28 | C38 | H42 | 30.5° | 30.0° |
| C35 | C28 | C38 | H43 | 150.5° | 150.0° |
| C38 | C28 | C29 | C30 | 179.5° | 180.0° |
| C38 | C28 | C29 | H36 | 0.5° | 0.0° |
| C38 | C28 | C35 | C36 | 178.2° | 179.1° |
| C28 | C38 | H41 | H42 | 120.0° | 119.9° |
| C28 | C38 | H41 | H43 | 120.0° | 120.0° |
| C28 | C38 | H42 | H43 | 120.0° | 120.0° |
| C29 | C30 | C31 | H37 | 180.0° | 178.9° |
| C29 | C30 | C31 | C32 | 177.0° | 180.0° |
| C29 | C30 | C31 | C36 | 2.0° | 1.3° |
| H36 | C29 | C30 | C31 | 177.1° | 178.9° |
| H36 | C29 | C30 | H37 | 3.0° | 0.0° |
| C30 | C31 | C32 | C36 | 174.7° | 178.7° |
| C30 | C31 | C32 | O11 | 45.7° | 178.5° |
| C30 | C31 | C36 | N7 | 177.2° | 178.6° |
| C30 | C31 | C36 | C35 | 0.2° | 0.5° |
| C30 | C31 | C32 | N8 | 128.4° | 1.5° |
| H37 | C30 | C31 | C32 | 2.9° | 1.1° |
| H37 | C30 | C31 | C36 | 178.0° | 179.8° |
| C31 | C32 | O11 | N8 | 173.8° | 179.9° |
| C32 | C31 | C36 | N7 | 8.0° | 0.1° |
| C32 | C31 | C36 | C35 | 174.5° | 179.2° |
| C31 | C32 | N8 | C39 | 179.9° | 176.1° |
| C31 | C32 | N8 | H44 | 0.1° | 3.8° |
| C36 | C31 | C32 | O11 | 139.5° | 2.9° |
| C31 | C36 | N7 | C33 | 177.5° | 180.0° |
| C31 | C36 | N7 | C35 | 177.4° | 179.1° |
| C36 | C31 | C32 | N8 | 46.3° | 177.2° |
| O11 | C32 | N8 | C39 | 6.1° | 4.0° |
| O11 | C32 | N8 | H44 | 173.8° | 176.1° |
| C33 | N7 | C36 | C35 | 5.1° | 0.9° |
| C36 | N7 | C33 | C34 | 0.9° | 0.3° |
| H38 | C37 | H39 | H40 | 120.0° | 120.0° |
| H41 | C38 | H42 | H43 | 120.0° | 120.0° |
| C39 | N8 | H44 | C32 | 180.0° | 179.9° |
| N8 | C39 | C40 | C41 | 123.8° | 120.1° |
| N8 | C39 | C40 | H45 | 118.1° | 120.0° |
| N8 | C39 | C41 | H45 | 122.4° | 120.0° |
| N8 | C39 | C40 | O12 | 19.8° | 114.4° |
| N8 | C39 | C41 | O13 | 72.9° | 59.7° |
| N8 | C39 | C41 | C42 | 47.8° | 60.2° |
| N8 | C39 | C41 | H46 | 169.1° | 179.7° |
| N8 | C39 | C40 | N9 | 164.4° | 65.6° |
| H44 | N8 | C39 | C40 | 30.7° | 92.0° |
| H44 | N8 | C39 | C41 | 89.6° | 28.0° |
| H44 | N8 | C39 | H45 | 148.3° | 148.0° |
| C40 | C39 | C41 | H45 | 117.6° | 120.0° |
| C39 | C40 | O12 | N9 | 175.4° | 180.0° |
| C40 | C39 | C41 | O13 | 47.1° | 60.3° |
| C40 | C39 | C41 | C42 | 167.8° | 179.7° |
| C40 | C39 | C41 | H46 | 70.9° | 59.7° |
| C39 | C40 | N9 | C43 | 166.7° | 179.5° |
| C39 | C40 | N9 | H50 | 13.2° | 0.4° |
| C40 | C39 | N8 | C32 | 149.3° | 88.1° |
| C41 | C39 | C40 | O12 | 104.0° | 5.7° |
| C39 | C41 | O13 | C42 | 126.3° | 119.9° |
| C39 | C41 | O13 | H46 | 117.8° | 120.0° |
| C39 | C41 | C42 | H46 | 121.7° | 120.0° |
| C39 | C41 | C42 | H47 | 180.0° | 54.8° |
| C39 | C41 | C42 | H48 | 60.0° | 174.8° |
| C39 | C41 | C42 | H49 | 60.0° | 65.2° |
| C41 | C39 | N8 | C32 | 90.4° | 151.9° |
| C41 | C39 | C40 | N9 | 71.7° | 174.4° |
| C39 | C41 | O13 | C62 | 144.1° | 176.0° |
| H45 | C39 | C40 | O12 | 137.9° | 125.6° |
| H45 | C39 | C41 | O13 | 164.7° | 179.7° |
| H45 | C39 | C41 | C42 | 74.6° | 59.8° |
| H45 | C39 | C41 | H46 | 46.7° | 60.3° |
| H45 | C39 | N8 | C32 | 31.8° | 31.9° |
| H45 | C39 | C40 | N9 | 46.3° | 54.4° |
| O12 | C40 | N9 | C43 | 8.9° | 0.4° |
| O12 | C40 | N9 | H50 | 171.1° | 179.6° |
| O13 | C41 | C42 | H46 | 116.6° | 120.0° |
| O13 | C41 | C42 | H47 | 58.4° | 65.2° |
| O13 | C41 | C42 | H48 | 178.3° | 54.8° |
| O13 | C41 | C42 | H49 | 61.6° | 174.8° |
| C41 | O13 | C62 | C58 | 171.6° | 180.0° |
| C41 | O13 | C62 | O18 | 4.6° | 0.2° |
| C41 | C42 | H47 | H48 | 120.0° | 120.0° |
| C41 | C42 | H47 | H49 | 120.0° | 120.0° |
| C41 | C42 | H48 | H49 | 120.0° | 120.0° |
| C42 | C41 | O13 | C62 | 89.7° | 64.0° |
| H46 | C41 | C42 | H47 | 58.3° | 174.8° |
| H46 | C41 | C42 | H48 | 61.7° | 65.2° |
| H46 | C41 | C42 | H49 | 178.3° | 54.8° |
| H46 | C41 | O13 | C62 | 26.3° | 56.0° |
| H47 | C42 | H48 | H49 | 120.0° | 120.0° |
| C43 | N9 | H50 | C40 | 180.0° | 180.0° |
| N9 | C43 | C44 | C47 | 121.2° | 118.8° |
| N9 | C43 | C44 | H51 | 119.8° | 120.6° |
| N9 | C43 | C47 | H51 | 120.6° | 119.7° |
| N9 | C43 | C44 | C45 | 56.7° | 52.9° |
| N9 | C43 | C44 | C46 | 178.0° | 67.1° |
| N9 | C43 | C44 | H52 | 63.3° | 172.9° |
| N9 | C43 | C47 | O14 | 62.2° | 13.5° |
| N9 | C43 | C47 | N10 | 123.6° | 166.4° |
| H50 | N9 | C43 | C44 | 15.6° | 14.7° |
| H50 | N9 | C43 | C47 | 105.2° | 134.4° |
| H50 | N9 | C43 | H51 | 134.7° | 105.9° |
| C44 | C43 | C47 | H51 | 118.9° | 120.6° |
| C43 | C44 | C45 | C46 | 120.9° | 120.0° |
| C43 | C44 | C45 | H52 | 120.2° | 120.0° |
| C43 | C44 | C46 | H52 | 118.6° | 120.0° |
| C43 | C44 | C45 | H53 | 180.0° | 64.8° |
| C43 | C44 | C45 | H54 | 60.0° | 175.1° |
| C43 | C44 | C45 | H55 | 60.0° | 55.1° |
| C43 | C44 | C46 | H56 | 180.0° | 64.8° |
| C43 | C44 | C46 | H57 | 60.0° | 175.2° |
| C43 | C44 | C46 | H58 | 60.0° | 55.1° |
| C44 | C43 | C47 | O14 | 58.3° | 133.2° |
| C44 | C43 | N9 | C40 | 164.4° | 165.2° |
| C44 | C43 | C47 | N10 | 115.9° | 46.7° |
| C47 | C43 | C44 | C45 | 178.0° | 65.9° |
| C47 | C43 | C44 | C46 | 60.8° | 174.2° |
| C47 | C43 | C44 | H52 | 57.9° | 54.2° |
| C43 | C47 | O14 | N10 | 174.0° | 180.0° |
| C43 | C47 | N10 | C48 | 24.1° | 179.5° |
| C43 | C47 | N10 | C52 | 173.3° | 0.5° |
| C47 | C43 | N9 | C40 | 74.8° | 45.5° |
| H51 | C43 | C44 | C45 | 63.1° | 173.5° |
| H51 | C43 | C44 | C46 | 58.2° | 53.5° |
| H51 | C43 | C44 | H52 | 176.9° | 66.5° |
| H51 | C43 | C47 | O14 | 177.2° | 106.1° |
| H51 | C43 | N9 | C40 | 45.3° | 74.2° |
| H51 | C43 | C47 | N10 | 3.0° | 73.9° |
| C45 | C44 | C46 | H52 | 118.6° | 120.0° |
| C44 | C45 | H53 | H54 | 120.0° | 120.0° |
| C44 | C45 | H53 | H55 | 120.0° | 120.0° |
| C44 | C45 | H54 | H55 | 120.0° | 120.0° |
| C45 | C44 | C46 | H56 | 57.3° | 175.2° |
| C45 | C44 | C46 | H57 | 62.7° | 55.2° |
| C45 | C44 | C46 | H58 | 177.3° | 64.9° |
| C46 | C44 | C45 | H53 | 59.1° | 55.1° |
| C46 | C44 | C45 | H54 | 179.1° | 64.9° |
| C46 | C44 | C45 | H55 | 60.9° | 175.1° |
| C44 | C46 | H56 | H57 | 120.0° | 120.1° |
| C44 | C46 | H56 | H58 | 120.0° | 119.9° |
| C44 | C46 | H57 | H58 | 120.0° | 120.1° |
| H52 | C44 | C45 | H53 | 59.8° | 175.1° |
| H52 | C44 | C45 | H54 | 60.2° | 55.1° |
| H52 | C44 | C45 | H55 | 179.8° | 64.9° |
| H52 | C44 | C46 | H56 | 61.4° | 55.2° |
| H52 | C44 | C46 | H57 | 178.6° | 64.8° |
| H52 | C44 | C46 | H58 | 58.6° | 175.1° |
| H53 | C45 | H54 | H55 | 120.0° | 120.0° |
| H56 | C46 | H57 | H58 | 120.0° | 119.9° |
| O14 | C47 | N10 | C48 | 161.7° | 0.5° |
| O14 | C47 | N10 | C52 | 0.9° | 179.5° |
| C48 | N10 | C52 | C47 | 164.4° | 180.0° |
| N10 | C48 | C49 | C50 | 114.7° | 118.3° |
| N10 | C48 | C49 | H59 | 124.7° | 120.7° |
| N10 | C48 | C50 | H59 | 118.5° | 119.7° |
| N10 | C48 | C49 | O15 | 31.2° | 59.7° |
| N10 | C48 | C50 | C51 | 30.1° | 9.4° |
| N10 | C48 | C50 | O16 | 92.7° | 128.6° |
| N10 | C48 | C50 | H60 | 145.3° | 109.9° |
| C48 | N10 | C52 | C51 | 4.9° | 18.9° |
| C48 | N10 | C52 | C53 | 127.2° | 138.4° |
| C48 | N10 | C52 | H63 | 111.4° | 100.7° |
| N10 | C48 | C49 | N11 | 154.4° | 120.4° |
| C52 | N10 | C48 | C49 | 101.8° | 137.3° |
| C52 | N10 | C48 | C50 | 16.1° | 17.7° |
| C52 | N10 | C48 | H59 | 134.0° | 102.1° |
| N10 | C52 | C51 | C50 | 24.5° | 12.5° |
| N10 | C52 | C51 | C53 | 121.5° | 119.6° |
| N10 | C52 | C51 | H63 | 116.9° | 119.6° |
| N10 | C52 | C51 | H61 | 95.0° | 106.7° |
| N10 | C52 | C51 | H62 | 143.9° | 131.6° |
| N10 | C52 | C53 | H63 | 121.8° | 120.9° |
| N10 | C52 | C53 | H65 | 180.0° | 57.1° |
| N10 | C52 | C53 | H66 | 60.0° | 177.1° |
| N10 | C52 | C53 | H67 | 60.0° | 62.9° |
| C49 | C48 | C50 | H59 | 120.8° | 120.9° |
| C48 | C49 | O15 | N11 | 174.1° | 179.9° |
| C49 | C48 | C50 | C51 | 90.5° | 128.8° |
| C49 | C48 | C50 | O16 | 146.6° | 112.0° |
| C49 | C48 | C50 | H60 | 24.6° | 9.5° |
| C48 | C49 | N11 | C54 | 12.5° | 178.7° |
| C48 | C49 | N11 | C56 | 179.9° | 1.2° |
| C49 | C48 | N10 | C47 | 94.2° | 42.7° |
| C50 | C48 | C49 | O15 | 83.5° | 58.6° |
| C48 | C50 | C51 | O16 | 121.1° | 119.1° |
| C48 | C50 | C51 | H60 | 114.9° | 119.2° |
| C48 | C50 | O16 | H60 | 120.9° | 121.6° |
| C48 | C50 | C51 | C52 | 34.1° | 1.8° |
| C48 | C50 | C51 | H61 | 85.4° | 117.3° |
| C48 | C50 | C51 | H62 | 153.5° | 121.0° |
| C48 | C50 | O16 | H64 | 74.0° | 180.0° |
| C50 | C48 | N10 | C47 | 148.0° | 162.3° |
| C50 | C48 | C49 | N11 | 90.9° | 121.3° |
| H59 | C48 | C49 | O15 | 155.9° | 179.7° |
| H59 | C48 | C50 | C51 | 148.7° | 110.3° |
| H59 | C48 | C50 | O16 | 25.8° | 8.9° |
| H59 | C48 | C50 | H60 | 96.2° | 130.4° |
| H59 | C48 | N10 | C47 | 30.1° | 77.9° |
| H59 | C48 | C49 | N11 | 29.8° | 0.3° |
| O15 | C49 | N11 | C54 | 173.3° | 1.3° |
| O15 | C49 | N11 | C56 | 5.7° | 178.7° |
| C51 | C50 | O16 | H60 | 123.1° | 121.7° |
| C50 | C51 | C52 | H61 | 119.5° | 119.1° |
| C50 | C51 | C52 | H62 | 119.4° | 119.2° |
| C50 | C51 | H61 | H62 | 121.6° | 121.8° |
| C50 | C51 | C52 | C53 | 146.0° | 132.0° |
| C50 | C51 | C52 | H63 | 92.4° | 107.1° |
| C51 | C50 | O16 | H64 | 42.1° | 63.2° |
| O16 | C50 | C51 | C52 | 87.1° | 117.3° |
| O16 | C50 | C51 | H61 | 153.5° | 123.6° |
| O16 | C50 | C51 | H62 | 32.4° | 1.8° |
| H60 | C50 | C51 | C52 | 149.0° | 121.1° |
| H60 | C50 | C51 | H61 | 29.5° | 1.9° |
| H60 | C50 | C51 | H62 | 91.6° | 119.8° |
| H60 | C50 | O16 | H64 | 165.1° | 58.5° |
| C52 | C51 | H61 | H62 | 121.6° | 121.7° |
| C51 | C52 | C53 | H63 | 121.5° | 120.8° |
| C51 | C52 | C53 | H65 | 63.3° | 61.2° |
| C51 | C52 | C53 | H66 | 176.7° | 58.8° |
| C51 | C52 | C53 | H67 | 56.7° | 178.8° |
| C51 | C52 | N10 | C47 | 169.3° | 161.1° |
| H61 | C51 | C52 | C53 | 26.5° | 12.9° |
| H61 | C51 | C52 | H63 | 148.1° | 133.8° |
| H62 | C51 | C52 | C53 | 94.6° | 108.8° |
| H62 | C51 | C52 | H63 | 27.0° | 12.0° |
| C52 | C53 | H65 | H66 | 120.0° | 120.1° |
| C52 | C53 | H65 | H67 | 120.0° | 120.0° |
| C52 | C53 | H66 | H67 | 120.0° | 120.0° |
| C53 | C52 | N10 | C47 | 68.4° | 41.6° |
| H63 | C52 | C53 | H65 | 58.2° | 178.0° |
| H63 | C52 | C53 | H66 | 61.8° | 62.0° |
| H63 | C52 | C53 | H67 | 178.2° | 58.0° |
| H63 | C52 | N10 | C47 | 53.1° | 79.3° |
| H65 | C53 | H66 | H67 | 120.0° | 120.0° |
| C54 | N11 | C56 | C49 | 168.9° | 179.9° |
| N11 | C54 | C55 | H68 | 120.5° | 119.7° |
| N11 | C54 | C55 | H69 | 120.5° | 119.7° |
| N11 | C54 | H68 | H69 | 118.4° | 120.5° |
| N11 | C54 | C55 | O17 | 9.3° | 45.3° |
| C54 | N11 | C56 | H70 | 180.0° | 115.8° |
| C54 | N11 | C56 | H71 | 60.0° | 4.3° |
| C54 | N11 | C56 | H72 | 60.0° | 124.3° |
| N11 | C54 | C55 | N12 | 169.3° | 134.8° |
| C56 | N11 | C54 | C55 | 76.8° | 61.0° |
| C56 | N11 | C54 | H68 | 162.7° | 58.7° |
| C56 | N11 | C54 | H69 | 43.7° | 179.3° |
| N11 | C56 | H70 | H71 | 120.0° | 120.0° |
| N11 | C56 | H70 | H72 | 120.0° | 120.0° |
| N11 | C56 | H71 | H72 | 120.0° | 120.0° |
| C55 | C54 | H68 | H69 | 118.4° | 120.6° |
| C54 | C55 | O17 | N12 | 178.6° | 180.0° |
| C54 | C55 | N12 | C57 | 5.0° | 2.4° |
| C54 | C55 | N12 | C58 | 173.9° | 177.6° |
| C55 | C54 | N11 | C49 | 91.5° | 118.9° |
| H68 | C54 | C55 | O17 | 111.2° | 74.4° |
| H68 | C54 | N11 | C49 | 29.0° | 121.3° |
| H68 | C54 | C55 | N12 | 70.2° | 105.6° |
| H69 | C54 | C55 | O17 | 129.8° | 165.0° |
| H69 | C54 | N11 | C49 | 147.9° | 0.8° |
| H69 | C54 | C55 | N12 | 48.8° | 15.1° |
| O17 | C55 | N12 | C57 | 176.4° | 177.5° |
| O17 | C55 | N12 | C58 | 4.7° | 2.4° |
| H70 | C56 | H71 | H72 | 120.0° | 120.0° |
| H70 | C56 | N11 | C49 | 11.1° | 64.3° |
| H71 | C56 | N11 | C49 | 108.9° | 175.7° |
| H72 | C56 | N11 | C49 | 131.1° | 55.7° |
| C57 | N12 | C58 | C55 | 179.0° | 180.0° |
| N12 | C57 | H73 | H74 | 120.0° | 120.0° |
| N12 | C57 | H73 | H75 | 120.0° | 120.0° |
| N12 | C57 | H74 | H75 | 120.0° | 120.0° |
| C57 | N12 | C58 | C59 | 113.3° | 53.5° |
| C57 | N12 | C58 | C62 | 117.8° | 66.3° |
| C57 | N12 | C58 | H76 | 2.9° | 173.8° |
| C58 | N12 | C57 | H73 | 180.0° | 124.7° |
| C58 | N12 | C57 | H74 | 60.0° | 4.8° |
| C58 | N12 | C57 | H75 | 60.0° | 115.2° |
| N12 | C58 | C59 | C62 | 129.4° | 119.4° |
| N12 | C58 | C59 | H76 | 116.8° | 120.3° |
| N12 | C58 | C62 | H76 | 115.1° | 119.9° |
| N12 | C58 | C59 | C60 | 32.1° | 180.0° |
| N12 | C58 | C59 | C61 | 156.7° | 60.0° |
| N12 | C58 | C59 | H77 | 86.3° | 60.0° |
| N12 | C58 | C62 | O18 | 135.4° | 107.1° |
| N12 | C58 | C62 | O13 | 48.5° | 72.8° |
| H73 | C57 | H74 | H75 | 120.0° | 120.0° |
| H73 | C57 | N12 | C55 | 1.1° | 55.3° |
| H74 | C57 | N12 | C55 | 118.9° | 175.2° |
| H75 | C57 | N12 | C55 | 121.1° | 64.8° |
| C59 | C58 | C62 | H76 | 113.5° | 120.2° |
| C58 | C59 | C60 | C61 | 122.0° | 120.0° |
| C58 | C59 | C60 | H77 | 118.0° | 120.0° |
| C58 | C59 | C61 | H77 | 116.8° | 119.9° |
| C58 | C59 | C60 | H78 | 180.0° | 60.0° |
| C58 | C59 | C60 | H79 | 60.0° | 180.0° |
| C58 | C59 | C60 | H80 | 60.0° | 59.9° |
| C58 | C59 | C61 | H81 | 180.0° | 60.0° |
| C58 | C59 | C61 | H82 | 60.0° | 180.0° |
| C58 | C59 | C61 | H83 | 60.0° | 60.1° |
| C59 | C58 | C62 | O18 | 4.0° | 12.8° |
| C59 | C58 | C62 | O13 | 179.9° | 167.4° |
| C59 | C58 | N12 | C55 | 65.7° | 126.5° |
| C62 | C58 | C59 | C60 | 161.5° | 60.6° |
| C62 | C58 | C59 | C61 | 73.8° | 179.4° |
| C62 | C58 | C59 | H77 | 43.2° | 59.4° |
| C58 | C62 | O18 | O13 | 175.7° | 179.8° |
| C62 | C58 | N12 | C55 | 63.2° | 113.7° |
| H76 | C58 | C59 | C60 | 84.7° | 59.7° |
| H76 | C58 | C59 | C61 | 40.0° | 60.3° |
| H76 | C58 | C59 | H77 | 157.0° | 179.7° |
| H76 | C58 | C62 | O18 | 109.5° | 133.1° |
| H76 | C58 | C62 | O13 | 66.7° | 47.1° |
| H76 | C58 | N12 | C55 | 178.1° | 6.2° |
| C60 | C59 | C61 | H77 | 120.2° | 120.0° |
| C59 | C60 | H78 | H79 | 120.0° | 120.0° |
| C59 | C60 | H78 | H80 | 120.0° | 120.0° |
| C59 | C60 | H79 | H80 | 120.0° | 120.1° |
| C60 | C59 | C61 | H81 | 56.9° | 179.9° |
| C60 | C59 | C61 | H82 | 176.9° | 59.9° |
| C60 | C59 | C61 | H83 | 63.1° | 60.0° |
| C61 | C59 | C60 | H78 | 58.0° | 60.1° |
| C61 | C59 | C60 | H79 | 62.0° | 59.9° |
| C61 | C59 | C60 | H80 | 178.0° | 180.0° |
| C59 | C61 | H81 | H82 | 120.0° | 120.0° |
| C59 | C61 | H81 | H83 | 120.0° | 120.0° |
| C59 | C61 | H82 | H83 | 120.0° | 120.0° |
| H77 | C59 | C60 | H78 | 62.0° | 180.0° |
| H77 | C59 | C60 | H79 | 178.0° | 60.0° |
| H77 | C59 | C60 | H80 | 58.0° | 60.0° |
| H77 | C59 | C61 | H81 | 63.3° | 60.0° |
| H77 | C59 | C61 | H82 | 56.8° | 60.0° |
| H77 | C59 | C61 | H83 | 176.7° | 180.0° |
| H78 | C60 | H79 | H80 | 120.0° | 120.0° |
| H81 | C61 | H82 | H83 | 120.0° | 120.0° |
