PRD_001218
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.50Å | 1.54Å | |
| C3 | C5 | sing | 1.54Å | 1.55Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C5 | O2 | sing | 1.45Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.22Å | 1.24Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.24Å | |
| N3 | H21 | sing | 0.98Å | 1.00Å | |
| C13 | C12 | sing | 1.50Å | 1.54Å | |
| C13 | N3 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.50Å | 1.49Å | |
| C13 | H22 | sing | 1.10Å | 1.10Å | |
| C14 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| N4 | C20 | sing | 1.47Å | 1.47Å | |
| N4 | C24 | sing | 1.46Å | 1.48Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.22Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | C25 | sing | 1.47Å | 1.46Å | |
| N5 | C26 | sing | 1.47Å | 1.48Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | C30 | sing | 1.51Å | 1.54Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | O6 | doub | 1.21Å | 1.23Å | |
| N6 | C31 | sing | 1.40Å | 1.46Å | |
| O9 | C36 | sing | 1.43Å | 1.42Å | |
| C36 | C33 | sing | 1.51Å | 1.48Å | |
| O7 | C32 | doub | 1.23Å | 1.25Å | |
| C31 | C33 | doub | 1.33Å | 1.36Å | |
| C31 | C32 | sing | 1.47Å | 1.49Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | O8 | sing | 1.43Å | 1.56Å | |
| C35 | O8 | sing | 1.43Å | 1.44Å | |
| N6 | H46 | sing | 0.99Å | 1.00Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| O9 | H52 | sing | 0.97Å | 0.95Å | |
| N7 | C37 | sing | 1.46Å | 1.48Å | |
| N7 | C41 | sing | 1.47Å | 1.47Å | |
| C37 | C38 | sing | 1.51Å | 1.56Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H53 | sing | 1.10Å | 1.10Å | |
| C38 | O10 | doub | 1.21Å | 1.24Å | |
| C39 | C40 | sing | 1.53Å | 1.49Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.50Å | |
| C40 | H56 | sing | 1.09Å | 1.10Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| O11 | C43 | doub | 1.24Å | 1.26Å | |
| C43 | C42 | sing | 1.49Å | 1.52Å | |
| O12 | C44 | sing | 1.43Å | 1.44Å | |
| C44 | C42 | sing | 1.52Å | 1.55Å | |
| C44 | C45 | sing | 1.51Å | 1.54Å | |
| C42 | N8 | sing | 1.45Å | 1.46Å | |
| C46 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C48 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C47 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C50 | doub | 1.39Å | 1.38Å | Aromatic |
| C47 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C49 | sing | 1.39Å | 1.39Å | Aromatic |
| C50 | O13 | sing | 1.36Å | 1.38Å | |
| O13 | C51 | sing | 1.43Å | 1.43Å | |
| N8 | H60 | sing | 0.97Å | 1.00Å | |
| C42 | H61 | sing | 1.11Å | 1.10Å | |
| C44 | H62 | sing | 1.09Å | 1.10Å | |
| O12 | H63 | sing | 0.97Å | 0.95Å | |
| C46 | H64 | sing | 1.08Å | 1.08Å | |
| C47 | H65 | sing | 1.08Å | 1.08Å | |
| C49 | H66 | sing | 1.08Å | 1.08Å | |
| C51 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| N9 | C52 | sing | 1.46Å | 1.46Å | |
| N9 | C53 | sing | 1.48Å | 1.46Å | |
| C52 | H70 | sing | 1.09Å | 1.10Å | |
| C52 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.55Å | |
| C53 | C57 | sing | 1.50Å | 1.53Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | C56 | sing | 1.53Å | 1.52Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| C55 | H77 | sing | 1.09Å | 1.10Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C56 | H79 | sing | 1.09Å | 1.10Å | |
| C56 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | O14 | doub | 1.22Å | 1.21Å | |
| O16 | C60 | doub | 1.21Å | 1.26Å | |
| C60 | C59 | sing | 1.48Å | 1.53Å | |
| C58 | N10 | sing | 1.47Å | 1.46Å | |
| C59 | N10 | sing | 1.40Å | 1.48Å | |
| C59 | C61 | doub | 1.34Å | 1.38Å | |
| C61 | C62 | sing | 1.46Å | 1.51Å | |
| C62 | C64 | doub | 1.39Å | 1.38Å | Aromatic |
| C62 | C63 | sing | 1.41Å | 1.40Å | Aromatic |
| C64 | C66 | sing | 1.37Å | 1.37Å | Aromatic |
| C63 | C65 | doub | 1.38Å | 1.38Å | Aromatic |
| C66 | C67 | doub | 1.39Å | 1.39Å | Aromatic |
| C65 | C67 | sing | 1.38Å | 1.37Å | Aromatic |
| C67 | O15 | sing | 1.37Å | 1.36Å | |
| C58 | H81 | sing | 1.09Å | 1.10Å | |
| C58 | H82 | sing | 1.09Å | 1.10Å | |
| C58 | H83 | sing | 1.09Å | 1.10Å | |
| C61 | H84 | sing | 1.10Å | 1.08Å | |
| C63 | H85 | sing | 1.08Å | 1.08Å | |
| C64 | H86 | sing | 1.08Å | 1.08Å | |
| C65 | H87 | sing | 1.08Å | 1.08Å | |
| C66 | H88 | sing | 1.08Å | 1.08Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| O2 | C60 | sing | 1.34Å | 1.37Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C12 | N4 | sing | 1.35Å | 1.36Å | |
| C21 | N5 | sing | 1.35Å | 1.32Å | |
| C30 | N6 | sing | 1.34Å | 1.34Å | |
| C32 | N7 | sing | 1.35Å | 1.34Å | |
| C38 | N8 | sing | 1.33Å | 1.34Å | |
| C43 | N9 | sing | 1.33Å | 1.33Å | |
| C48 | O15 | sing | 1.37Å | 1.39Å | |
| C57 | N10 | sing | 1.34Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C1 | 107.6° | 111.0° |
| C2 | N1 | C3 | 110.0° | 111.0° |
| N1 | C2 | H4 | 109.5° | 109.5° |
| N1 | C2 | H5 | 109.4° | 109.5° |
| N1 | C2 | H6 | 109.5° | 109.5° |
| C1 | N1 | C3 | 111.3° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| N1 | C3 | C4 | 112.5° | 109.5° |
| N1 | C3 | C5 | 113.7° | 109.5° |
| N1 | C3 | H7 | 107.2° | 109.4° |
| C4 | C3 | C5 | 110.0° | 110.3° |
| C3 | C4 | O1 | 120.1° | 119.4° |
| C4 | C3 | H7 | 106.5° | 109.2° |
| C3 | C4 | N2 | 116.6° | 120.7° |
| C3 | C5 | O2 | 105.5° | 107.5° |
| C3 | C5 | C6 | 113.4° | 109.3° |
| C5 | C3 | H7 | 106.4° | 109.0° |
| C3 | C5 | H8 | 101.7° | 109.1° |
| O1 | C4 | N2 | 123.3° | 119.8° |
| O2 | C5 | C6 | 127.6° | 110.5° |
| O2 | C5 | H8 | 102.7° | 110.4° |
| C5 | O2 | C60 | 117.1° | 121.3° |
| C6 | C5 | H8 | 102.1° | 110.0° |
| C5 | C6 | H9 | 109.5° | 109.4° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H6 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| C7 | N2 | H12 | 117.8° | 120.0° |
| N2 | C7 | C8 | 113.2° | 110.1° |
| N2 | C7 | C9 | 110.3° | 109.1° |
| N2 | C7 | H13 | 108.8° | 109.2° |
| C7 | N2 | C4 | 124.4° | 120.8° |
| H12 | N2 | C4 | 117.8° | 119.2° |
| C8 | C7 | C9 | 108.6° | 108.9° |
| C8 | C7 | H13 | 108.0° | 109.5° |
| C7 | C8 | O3 | 121.0° | 119.6° |
| C7 | C8 | N3 | 116.3° | 119.1° |
| C9 | C7 | H13 | 107.7° | 110.0° |
| C7 | C9 | C10 | 110.2° | 109.4° |
| C7 | C9 | C11 | 111.1° | 109.5° |
| C7 | C9 | H14 | 108.1° | 109.5° |
| O3 | C8 | N3 | 122.7° | 121.3° |
| C10 | C9 | C11 | 110.4° | 109.4° |
| C10 | C9 | H14 | 108.4° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.4° |
| C9 | C10 | H17 | 109.4° | 109.5° |
| C11 | C9 | H14 | 108.4° | 109.5° |
| C9 | C11 | H18 | 109.5° | 109.5° |
| C9 | C11 | H19 | 109.5° | 109.4° |
| C9 | C11 | H20 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.4° | 109.4° |
| H18 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| O4 | C12 | C13 | 120.0° | 120.6° |
| O4 | C12 | N4 | 123.5° | 119.3° |
| H21 | N3 | C13 | 120.3° | 118.6° |
| H21 | N3 | C8 | 120.2° | 120.0° |
| C12 | C13 | N3 | 111.2° | 110.5° |
| C12 | C13 | C14 | 115.8° | 110.0° |
| C12 | C13 | H22 | 105.7° | 108.7° |
| C13 | C12 | N4 | 116.4° | 120.1° |
| N3 | C13 | C14 | 110.6° | 110.7° |
| N3 | C13 | H22 | 106.6° | 108.5° |
| C13 | N3 | C8 | 119.5° | 121.3° |
| C14 | C13 | H22 | 106.2° | 108.4° |
| C13 | C14 | C18 | 117.7° | 120.0° |
| C13 | C14 | C19 | 122.8° | 120.0° |
| C14 | C18 | C16 | 121.3° | 120.0° |
| C14 | C18 | H26 | 119.3° | 120.0° |
| C18 | C14 | C19 | 119.5° | 120.0° |
| C16 | C15 | H23 | 120.1° | 120.0° |
| C15 | C16 | H24 | 120.4° | 120.1° |
| C16 | C15 | C17 | 119.7° | 120.0° |
| C15 | C16 | C18 | 119.2° | 120.0° |
| H23 | C15 | C17 | 120.1° | 120.0° |
| H24 | C16 | C18 | 120.4° | 120.0° |
| C15 | C17 | H25 | 119.3° | 120.1° |
| C15 | C17 | C19 | 121.3° | 119.9° |
| H25 | C17 | C19 | 119.3° | 120.0° |
| C16 | C18 | H26 | 119.4° | 120.0° |
| C14 | C19 | C17 | 118.9° | 120.0° |
| C14 | C19 | H27 | 120.5° | 120.0° |
| C17 | C19 | H27 | 120.5° | 119.9° |
| C20 | N4 | C24 | 111.8° | 109.6° |
| N4 | C20 | C21 | 104.4° | 109.4° |
| N4 | C20 | C22 | 103.1° | 108.3° |
| N4 | C20 | H28 | 112.9° | 108.5° |
| C20 | N4 | C12 | 125.0° | 125.0° |
| N4 | C24 | C23 | 103.5° | 109.2° |
| N4 | C24 | H33 | 110.9° | 109.7° |
| N4 | C24 | H34 | 110.9° | 109.8° |
| C24 | N4 | C12 | 123.2° | 125.4° |
| C21 | C20 | C22 | 111.8° | 109.2° |
| C21 | C20 | H28 | 112.1° | 111.6° |
| C20 | C21 | O5 | 118.0° | 118.2° |
| C20 | C21 | N5 | 118.8° | 122.2° |
| C22 | C20 | H28 | 112.0° | 109.7° |
| C20 | C22 | C23 | 103.5° | 106.7° |
| C20 | C22 | H29 | 110.9° | 109.8° |
| C20 | C22 | H30 | 110.9° | 110.1° |
| O5 | C21 | N5 | 123.0° | 119.5° |
| C23 | C22 | H29 | 111.0° | 110.2° |
| C23 | C22 | H30 | 111.0° | 110.4° |
| C22 | C23 | C24 | 107.0° | 105.8° |
| C22 | C23 | H31 | 110.1° | 110.4° |
| C22 | C23 | H32 | 110.1° | 110.7° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| C24 | C23 | H31 | 110.1° | 110.1° |
| C24 | C23 | H32 | 110.1° | 110.0° |
| C23 | C24 | H33 | 111.0° | 109.4° |
| C23 | C24 | H34 | 111.0° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.8° |
| H33 | C24 | H34 | 109.5° | 109.4° |
| C25 | N5 | C26 | 126.5° | 120.0° |
| N5 | C25 | H35 | 109.5° | 109.5° |
| N5 | C25 | H36 | 109.5° | 109.5° |
| N5 | C25 | H37 | 109.4° | 109.5° |
| C25 | N5 | C21 | 118.7° | 121.8° |
| N5 | C26 | C27 | 113.6° | 110.2° |
| N5 | C26 | C30 | 120.4° | 110.9° |
| N5 | C26 | H38 | 103.6° | 108.8° |
| C26 | N5 | C21 | 114.2° | 118.2° |
| H35 | C25 | H36 | 109.4° | 109.4° |
| H35 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| C27 | C26 | C30 | 110.6° | 109.5° |
| C27 | C26 | H38 | 103.1° | 109.1° |
| C26 | C27 | C28 | 109.9° | 109.5° |
| C26 | C27 | C29 | 110.3° | 109.5° |
| C26 | C27 | H39 | 108.6° | 109.4° |
| C30 | C26 | H38 | 103.1° | 108.3° |
| C26 | C30 | O6 | 121.1° | 116.7° |
| C26 | C30 | N6 | 115.3° | 121.0° |
| C28 | C27 | C29 | 110.1° | 109.5° |
| C28 | C27 | H39 | 108.9° | 109.5° |
| C27 | C28 | H40 | 109.5° | 109.5° |
| C27 | C28 | H41 | 109.5° | 109.5° |
| C27 | C28 | H42 | 109.5° | 109.5° |
| C29 | C27 | H39 | 109.0° | 109.5° |
| C27 | C29 | H43 | 109.5° | 109.5° |
| C27 | C29 | H44 | 109.4° | 109.5° |
| C27 | C29 | H45 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.4° |
| H40 | C28 | H42 | 109.4° | 109.5° |
| H41 | C28 | H42 | 109.4° | 109.4° |
| H43 | C29 | H44 | 109.5° | 109.5° |
| H43 | C29 | H45 | 109.4° | 109.4° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| O6 | C30 | N6 | 123.7° | 122.3° |
| N6 | C31 | C33 | 124.7° | 120.7° |
| N6 | C31 | C32 | 115.4° | 119.2° |
| C31 | N6 | H46 | 117.8° | 115.6° |
| C31 | N6 | C30 | 124.5° | 125.5° |
| O9 | C36 | C33 | 92.2° | 109.5° |
| O9 | C36 | H50 | 113.6° | 109.5° |
| O9 | C36 | H51 | 113.6° | 109.5° |
| C36 | O9 | H52 | 109.5° | 114.0° |
| C36 | C33 | C31 | 120.0° | 120.0° |
| C36 | C33 | C34 | 113.2° | 120.0° |
| C33 | C36 | H50 | 113.6° | 109.4° |
| C33 | C36 | H51 | 113.6° | 109.5° |
| O7 | C32 | C31 | 119.6° | 118.0° |
| O7 | C32 | N7 | 122.3° | 118.5° |
| C33 | C31 | C32 | 119.8° | 120.0° |
| C31 | C33 | C34 | 126.8° | 120.0° |
| C31 | C32 | N7 | 118.0° | 123.5° |
| C33 | C34 | C35 | 115.2° | 117.8° |
| C33 | C34 | O8 | 115.8° | 117.8° |
| C33 | C34 | H47 | 118.6° | 115.7° |
| C35 | C34 | O8 | 55.6° | 57.6° |
| C34 | C35 | O8 | 63.1° | 57.7° |
| C35 | C34 | H47 | 118.5° | 117.8° |
| C34 | C35 | H48 | 119.4° | 117.8° |
| C34 | C35 | H49 | 119.5° | 117.8° |
| C34 | O8 | C35 | 61.2° | 64.7° |
| O8 | C34 | H47 | 117.9° | 117.8° |
| O8 | C35 | H48 | 119.4° | 117.7° |
| O8 | C35 | H49 | 119.5° | 117.8° |
| H46 | N6 | C30 | 117.8° | 118.9° |
| H48 | C35 | H49 | 109.5° | 115.7° |
| H50 | C36 | H51 | 109.5° | 109.4° |
| C37 | N7 | C41 | 112.5° | 109.1° |
| N7 | C37 | C38 | 115.8° | 112.0° |
| N7 | C37 | C39 | 102.9° | 108.7° |
| N7 | C37 | H53 | 109.6° | 109.2° |
| C37 | N7 | C32 | 120.7° | 125.3° |
| N7 | C41 | C40 | 103.1° | 108.0° |
| N7 | C41 | H58 | 111.0° | 110.0° |
| N7 | C41 | H59 | 111.1° | 110.3° |
| C41 | N7 | C32 | 126.8° | 125.7° |
| C38 | C37 | C39 | 111.0° | 109.0° |
| C38 | C37 | H53 | 108.5° | 108.7° |
| C37 | C38 | O10 | 119.8° | 120.1° |
| C37 | C38 | N8 | 117.2° | 119.8° |
| C39 | C37 | H53 | 108.8° | 109.2° |
| C37 | C39 | C40 | 104.0° | 105.9° |
| C37 | C39 | H54 | 110.8° | 110.3° |
| C37 | C39 | H55 | 110.8° | 110.1° |
| O10 | C38 | N8 | 123.0° | 120.1° |
| C40 | C39 | H54 | 110.8° | 110.0° |
| C40 | C39 | H55 | 110.8° | 110.5° |
| C39 | C40 | C41 | 107.7° | 105.4° |
| C39 | C40 | H56 | 109.9° | 110.4° |
| C39 | C40 | H57 | 109.9° | 110.3° |
| H54 | C39 | H55 | 109.5° | 110.0° |
| C41 | C40 | H56 | 109.9° | 110.1° |
| C41 | C40 | H57 | 109.9° | 110.1° |
| C40 | C41 | H58 | 111.0° | 109.1° |
| C40 | C41 | H59 | 111.0° | 109.3° |
| H56 | C40 | H57 | 109.5° | 110.4° |
| H58 | C41 | H59 | 109.5° | 110.1° |
| O11 | C43 | C42 | 120.5° | 116.0° |
| O11 | C43 | N9 | 123.8° | 115.3° |
| C43 | C42 | C44 | 106.4° | 113.3° |
| C43 | C42 | N8 | 106.7° | 110.6° |
| C43 | C42 | H61 | 108.1° | 106.9° |
| C42 | C43 | N9 | 115.8° | 128.7° |
| O12 | C44 | C42 | 116.3° | 109.9° |
| O12 | C44 | C45 | 113.4° | 108.4° |
| O12 | C44 | H62 | 106.2° | 109.3° |
| C44 | O12 | H63 | 109.5° | 113.9° |
| C42 | C44 | C45 | 109.6° | 110.1° |
| C44 | C42 | N8 | 118.7° | 111.3° |
| C44 | C42 | H61 | 107.7° | 107.4° |
| C42 | C44 | H62 | 105.1° | 110.4° |
| C44 | C45 | C46 | 117.8° | 119.6° |
| C44 | C45 | C47 | 124.0° | 120.2° |
| C45 | C44 | H62 | 105.2° | 108.6° |
| C42 | N8 | H60 | 118.6° | 115.4° |
| N8 | C42 | H61 | 108.8° | 107.0° |
| C42 | N8 | C38 | 122.8° | 128.6° |
| C45 | C46 | C48 | 124.3° | 119.8° |
| C46 | C45 | C47 | 118.1° | 120.2° |
| C45 | C46 | H64 | 117.8° | 119.6° |
| C46 | C48 | C50 | 117.3° | 120.3° |
| C48 | C46 | H64 | 117.9° | 120.6° |
| C46 | C48 | O15 | 121.7° | 118.6° |
| C45 | C47 | C49 | 118.8° | 120.0° |
| C45 | C47 | H65 | 120.6° | 120.3° |
| C48 | C50 | C49 | 119.1° | 119.5° |
| C48 | C50 | O13 | 119.8° | 120.4° |
| C50 | C48 | O15 | 121.0° | 121.0° |
| C47 | C49 | C50 | 122.4° | 120.3° |
| C49 | C47 | H65 | 120.6° | 119.8° |
| C47 | C49 | H66 | 118.8° | 119.9° |
| C49 | C50 | O13 | 121.1° | 120.1° |
| C50 | C49 | H66 | 118.8° | 119.9° |
| C50 | O13 | C51 | 110.8° | 117.0° |
| O13 | C51 | H67 | 109.5° | 109.5° |
| O13 | C51 | H68 | 109.5° | 109.5° |
| O13 | C51 | H69 | 109.5° | 109.5° |
| H60 | N8 | C38 | 118.6° | 115.9° |
| H67 | C51 | H68 | 109.5° | 109.5° |
| H67 | C51 | H69 | 109.4° | 109.5° |
| H68 | C51 | H69 | 109.5° | 109.5° |
| C52 | N9 | C53 | 120.5° | 118.8° |
| N9 | C52 | H70 | 109.5° | 109.4° |
| N9 | C52 | H71 | 109.4° | 109.4° |
| N9 | C52 | H72 | 109.5° | 109.4° |
| C52 | N9 | C43 | 120.5° | 121.9° |
| N9 | C53 | C54 | 111.5° | 109.2° |
| N9 | C53 | C57 | 109.0° | 110.5° |
| N9 | C53 | H73 | 108.6° | 107.3° |
| C53 | N9 | C43 | 119.0° | 119.3° |
| H70 | C52 | H71 | 109.5° | 109.5° |
| H70 | C52 | H72 | 109.5° | 109.6° |
| H71 | C52 | H72 | 109.5° | 109.5° |
| C54 | C53 | C57 | 112.4° | 109.7° |
| C54 | C53 | H73 | 107.5° | 109.0° |
| C53 | C54 | C55 | 111.6° | 109.4° |
| C53 | C54 | C56 | 110.3° | 109.5° |
| C53 | C54 | H74 | 107.7° | 109.5° |
| C57 | C53 | H73 | 107.6° | 111.1° |
| C53 | C57 | O14 | 119.2° | 118.5° |
| C53 | C57 | N10 | 117.5° | 123.9° |
| C55 | C54 | C56 | 111.2° | 109.5° |
| C55 | C54 | H74 | 107.9° | 109.4° |
| C54 | C55 | H75 | 109.5° | 109.4° |
| C54 | C55 | H76 | 109.4° | 109.5° |
| C54 | C55 | H77 | 109.4° | 109.4° |
| C56 | C54 | H74 | 108.0° | 109.5° |
| C54 | C56 | H78 | 109.5° | 109.4° |
| C54 | C56 | H79 | 109.5° | 109.5° |
| C54 | C56 | H80 | 109.5° | 109.5° |
| H75 | C55 | H76 | 109.5° | 109.5° |
| H75 | C55 | H77 | 109.5° | 109.5° |
| H76 | C55 | H77 | 109.5° | 109.5° |
| H78 | C56 | H79 | 109.5° | 109.4° |
| H78 | C56 | H80 | 109.4° | 109.5° |
| H79 | C56 | H80 | 109.5° | 109.5° |
| O14 | C57 | N10 | 123.2° | 117.7° |
| O16 | C60 | C59 | 119.5° | 121.1° |
| O16 | C60 | O2 | 120.6° | 121.0° |
| C60 | C59 | N10 | 113.4° | 119.5° |
| C60 | C59 | C61 | 114.1° | 116.2° |
| C59 | C60 | O2 | 119.9° | 117.9° |
| C58 | N10 | C59 | 109.3° | 119.2° |
| N10 | C58 | H81 | 109.5° | 109.5° |
| N10 | C58 | H82 | 109.4° | 109.5° |
| N10 | C58 | H83 | 109.5° | 109.4° |
| C58 | N10 | C57 | 106.7° | 119.7° |
| N10 | C59 | C61 | 132.6° | 124.3° |
| C59 | N10 | C57 | 127.9° | 121.0° |
| C59 | C61 | C62 | 126.7° | 125.2° |
| C59 | C61 | H84 | 116.7° | 117.2° |
| C61 | C62 | C64 | 118.7° | 122.8° |
| C61 | C62 | C63 | 120.3° | 118.0° |
| C62 | C61 | H84 | 116.6° | 117.6° |
| C64 | C62 | C63 | 120.9° | 119.2° |
| C62 | C64 | C66 | 118.6° | 120.3° |
| C62 | C64 | H86 | 120.7° | 120.0° |
| C62 | C63 | C65 | 120.3° | 119.9° |
| C62 | C63 | H85 | 119.9° | 120.1° |
| C64 | C66 | C67 | 120.4° | 119.8° |
| C66 | C64 | H86 | 120.7° | 119.7° |
| C64 | C66 | H88 | 119.8° | 120.0° |
| C63 | C65 | C67 | 118.3° | 119.8° |
| C65 | C63 | H85 | 119.9° | 120.0° |
| C63 | C65 | H87 | 120.9° | 119.9° |
| C66 | C67 | C65 | 121.4° | 120.6° |
| C66 | C67 | O15 | 121.5° | 118.5° |
| C67 | C66 | H88 | 119.8° | 120.2° |
| C65 | C67 | O15 | 117.0° | 120.7° |
| C67 | C65 | H87 | 120.8° | 120.3° |
| C67 | O15 | C48 | 110.1° | 111.4° |
| H81 | C58 | H82 | 109.5° | 109.5° |
| H81 | C58 | H83 | 109.5° | 109.5° |
| H82 | C58 | H83 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C1 | C3 | 120.6° | 124.0° |
| C2 | N1 | C3 | C4 | 56.5° | 69.3° |
| C2 | N1 | C3 | C5 | 177.5° | 169.7° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 180.0° |
| N1 | C2 | H4 | H5 | 120.0° | 120.0° |
| N1 | C2 | H4 | H6 | 120.0° | 120.0° |
| N1 | C2 | H5 | H6 | 120.0° | 120.0° |
| C2 | N1 | C3 | H7 | 60.3° | 50.3° |
| C1 | N1 | C3 | C4 | 175.7° | 166.8° |
| C1 | N1 | C3 | C5 | 58.4° | 45.8° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | N1 | C2 | H4 | 180.0° | 172.4° |
| C1 | N1 | C2 | H5 | 60.0° | 52.4° |
| C1 | N1 | C2 | H6 | 60.0° | 67.6° |
| C1 | N1 | C3 | H7 | 58.9° | 73.6° |
| N1 | C3 | C4 | C5 | 127.9° | 120.5° |
| N1 | C3 | C4 | H7 | 117.2° | 119.7° |
| N1 | C3 | C5 | H7 | 117.8° | 119.6° |
| N1 | C3 | C4 | O1 | 140.4° | 45.9° |
| N1 | C3 | C5 | O2 | 135.4° | 88.4° |
| N1 | C3 | C5 | C6 | 80.4° | 151.6° |
| C3 | N1 | C1 | H1 | 59.4° | 63.9° |
| C3 | N1 | C1 | H2 | 60.6° | 176.0° |
| C3 | N1 | C1 | H3 | 179.4° | 56.1° |
| C3 | N1 | C2 | H4 | 58.5° | 63.6° |
| C3 | N1 | C2 | H5 | 178.5° | 176.4° |
| C3 | N1 | C2 | H6 | 61.4° | 56.4° |
| N1 | C3 | C5 | H8 | 28.5° | 31.3° |
| N1 | C3 | C4 | N2 | 39.0° | 133.7° |
| C4 | C3 | C5 | H7 | 114.9° | 119.8° |
| C3 | C4 | O1 | N2 | 179.4° | 179.6° |
| C4 | C3 | C5 | O2 | 97.3° | 151.1° |
| C4 | C3 | C5 | C6 | 46.9° | 31.1° |
| C4 | C3 | C5 | H8 | 155.7° | 89.2° |
| C3 | C4 | N2 | C7 | 176.9° | 179.5° |
| C3 | C4 | N2 | H12 | 3.1° | 0.2° |
| C5 | C3 | C4 | O1 | 91.7° | 74.6° |
| C3 | C5 | O2 | C6 | 137.3° | 119.2° |
| C3 | C5 | O2 | H8 | 106.2° | 118.9° |
| C3 | C5 | C6 | H8 | 108.6° | 119.7° |
| C3 | C5 | C6 | H9 | 180.0° | 60.0° |
| C3 | C5 | C6 | H10 | 60.0° | 180.0° |
| C3 | C5 | C6 | H11 | 60.0° | 60.0° |
| C5 | C3 | C4 | N2 | 88.9° | 105.8° |
| C3 | C5 | O2 | C60 | 171.5° | 169.5° |
| O1 | C4 | C3 | H7 | 23.2° | 165.6° |
| O1 | C4 | N2 | C7 | 2.5° | 0.1° |
| O1 | C4 | N2 | H12 | 177.4° | 179.8° |
| O2 | C5 | C6 | H8 | 116.7° | 122.2° |
| O2 | C5 | C3 | H7 | 17.6° | 31.2° |
| O2 | C5 | C6 | H9 | 45.4° | 58.0° |
| O2 | C5 | C6 | H10 | 165.4° | 61.9° |
| O2 | C5 | C6 | H11 | 74.7° | 178.1° |
| C5 | O2 | C60 | O16 | 82.1° | 16.3° |
| C5 | O2 | C60 | C59 | 100.8° | 166.5° |
| C6 | C5 | C3 | H7 | 161.8° | 88.8° |
| C5 | C6 | H9 | H10 | 120.0° | 119.9° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | O2 | C60 | 34.2° | 50.3° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | H5 | H6 | 120.0° | 120.0° |
| H7 | C3 | C5 | H8 | 89.3° | 150.9° |
| H7 | C3 | C4 | N2 | 156.3° | 14.0° |
| H8 | C5 | C6 | H9 | 71.3° | 179.8° |
| H8 | C5 | C6 | H10 | 48.7° | 60.2° |
| H8 | C5 | C6 | H11 | 168.6° | 59.7° |
| H8 | C5 | O2 | C60 | 82.2° | 71.6° |
| H9 | C6 | H10 | H11 | 120.0° | 120.1° |
| C7 | N2 | H12 | C4 | 180.0° | 179.8° |
| N2 | C7 | C8 | C9 | 122.9° | 119.5° |
| N2 | C7 | C8 | H13 | 120.6° | 120.1° |
| N2 | C7 | C9 | H13 | 118.6° | 119.8° |
| N2 | C7 | C8 | O3 | 47.5° | 11.6° |
| N2 | C7 | C9 | C10 | 36.9° | 179.8° |
| N2 | C7 | C9 | C11 | 159.7° | 60.3° |
| N2 | C7 | C9 | H14 | 81.4° | 59.8° |
| N2 | C7 | C8 | N3 | 131.6° | 166.9° |
| H12 | N2 | C7 | C8 | 142.7° | 17.6° |
| H12 | N2 | C7 | C9 | 20.8° | 101.8° |
| H12 | N2 | C7 | H13 | 97.2° | 137.9° |
| C8 | C7 | C9 | H13 | 116.8° | 120.1° |
| C7 | C8 | O3 | N3 | 179.1° | 178.5° |
| C8 | C7 | C9 | C10 | 87.7° | 59.6° |
| C8 | C7 | C9 | C11 | 35.1° | 179.6° |
| C8 | C7 | C9 | H14 | 154.0° | 60.4° |
| C7 | C8 | N3 | H21 | 5.9° | 29.4° |
| C7 | C8 | N3 | C13 | 174.1° | 147.3° |
| C8 | C7 | N2 | C4 | 37.3° | 162.6° |
| C9 | C7 | C8 | O3 | 75.3° | 107.9° |
| C7 | C9 | C10 | C11 | 123.2° | 119.9° |
| C7 | C9 | C10 | H14 | 118.1° | 120.0° |
| C7 | C9 | C11 | H14 | 118.7° | 120.1° |
| C7 | C9 | C10 | H15 | 180.0° | 60.0° |
| C7 | C9 | C10 | H16 | 60.0° | 180.0° |
| C7 | C9 | C10 | H17 | 60.0° | 60.1° |
| C7 | C9 | C11 | H18 | 180.0° | 63.3° |
| C7 | C9 | C11 | H19 | 60.0° | 176.8° |
| C7 | C9 | C11 | H20 | 60.0° | 56.7° |
| C9 | C7 | N2 | C4 | 159.2° | 77.9° |
| C9 | C7 | C8 | N3 | 105.5° | 73.6° |
| H13 | C7 | C8 | O3 | 168.1° | 131.7° |
| H13 | C7 | C9 | C10 | 155.6° | 60.4° |
| H13 | C7 | C9 | C11 | 81.7° | 59.5° |
| H13 | C7 | C9 | H14 | 37.2° | 179.6° |
| H13 | C7 | N2 | C4 | 82.8° | 42.3° |
| H13 | C7 | C8 | N3 | 11.0° | 46.8° |
| O3 | C8 | N3 | H21 | 173.2° | 149.1° |
| O3 | C8 | N3 | C13 | 6.7° | 34.2° |
| C10 | C9 | C11 | H14 | 118.6° | 120.0° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H17 | 120.0° | 120.1° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| C10 | C9 | C11 | H18 | 57.3° | 176.8° |
| C10 | C9 | C11 | H19 | 62.7° | 56.8° |
| C10 | C9 | C11 | H20 | 177.4° | 63.2° |
| C11 | C9 | C10 | H15 | 56.8° | 59.9° |
| C11 | C9 | C10 | H16 | 176.8° | 60.1° |
| C11 | C9 | C10 | H17 | 63.2° | 180.0° |
| C9 | C11 | H18 | H19 | 120.0° | 119.9° |
| C9 | C11 | H18 | H20 | 120.0° | 120.0° |
| C9 | C11 | H19 | H20 | 120.0° | 120.1° |
| H14 | C9 | C10 | H15 | 61.9° | 180.0° |
| H14 | C9 | C10 | H16 | 58.1° | 60.0° |
| H14 | C9 | C10 | H17 | 178.2° | 60.0° |
| H14 | C9 | C11 | H18 | 61.3° | 56.7° |
| H14 | C9 | C11 | H19 | 178.7° | 63.2° |
| H14 | C9 | C11 | H20 | 58.7° | 176.7° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
| H18 | C11 | H19 | H20 | 120.0° | 120.0° |
| O4 | C12 | C13 | N4 | 178.1° | 179.8° |
| O4 | C12 | C13 | N3 | 31.4° | 33.4° |
| O4 | C12 | C13 | C14 | 96.0° | 89.1° |
| O4 | C12 | C13 | H22 | 146.8° | 152.4° |
| O4 | C12 | N4 | C20 | 17.6° | 0.4° |
| O4 | C12 | N4 | C24 | 162.9° | 179.7° |
| H21 | N3 | C13 | C12 | 65.4° | 103.0° |
| H21 | N3 | C13 | C8 | 180.0° | 176.8° |
| H21 | N3 | C13 | C14 | 64.7° | 134.9° |
| H21 | N3 | C13 | H22 | 179.8° | 16.1° |
| C12 | C13 | N3 | C14 | 130.2° | 122.2° |
| C12 | C13 | N3 | H22 | 114.8° | 119.0° |
| C12 | C13 | C14 | H22 | 117.0° | 118.7° |
| C12 | C13 | C14 | C18 | 129.6° | 30.0° |
| C12 | C13 | C14 | C19 | 50.0° | 149.6° |
| C13 | C12 | N4 | C20 | 164.4° | 179.4° |
| C13 | C12 | N4 | C24 | 15.2° | 0.5° |
| C12 | C13 | N3 | C8 | 114.6° | 80.3° |
| N3 | C13 | C14 | H22 | 115.3° | 118.9° |
| N3 | C13 | C14 | C18 | 102.7° | 92.4° |
| N3 | C13 | C14 | C19 | 77.8° | 88.0° |
| N3 | C13 | C12 | N4 | 146.7° | 146.4° |
| C13 | C14 | C18 | C19 | 179.6° | 179.6° |
| C13 | C14 | C18 | C16 | 179.7° | 180.0° |
| C13 | C14 | C18 | H26 | 0.3° | 0.1° |
| C13 | C14 | C19 | C17 | 180.0° | 180.0° |
| C13 | C14 | C19 | H27 | 0.0° | 0.0° |
| C14 | C13 | N3 | C8 | 115.2° | 41.9° |
| C14 | C13 | C12 | N4 | 85.9° | 91.1° |
| H22 | C13 | C14 | C18 | 12.6° | 148.7° |
| H22 | C13 | C14 | C19 | 166.9° | 30.9° |
| H22 | C13 | N3 | C8 | 0.2° | 160.7° |
| H22 | C13 | C12 | N4 | 31.3° | 27.4° |
| C14 | C18 | C16 | C15 | 0.2° | 0.1° |
| C14 | C18 | C16 | H24 | 179.8° | 179.7° |
| C14 | C18 | C16 | H26 | 180.0° | 179.9° |
| C18 | C14 | C19 | C17 | 0.5° | 0.3° |
| C18 | C14 | C19 | H27 | 179.6° | 179.7° |
| C16 | C15 | H23 | C17 | 180.0° | 180.0° |
| C15 | C16 | H24 | C18 | 180.0° | 179.8° |
| C16 | C15 | C17 | H25 | 179.2° | 180.0° |
| C15 | C16 | C18 | H26 | 179.8° | 180.0° |
| C16 | C15 | C17 | C19 | 0.8° | 0.3° |
| H23 | C15 | C16 | H24 | 0.4° | 0.0° |
| H23 | C15 | C17 | H25 | 0.8° | 0.1° |
| H23 | C15 | C16 | C18 | 179.6° | 179.8° |
| H23 | C15 | C17 | C19 | 179.3° | 179.8° |
| H24 | C16 | C15 | C17 | 179.5° | 180.0° |
| H24 | C16 | C18 | H26 | 0.2° | 0.2° |
| C15 | C17 | H25 | C19 | 180.0° | 179.7° |
| C17 | C15 | C16 | C18 | 0.4° | 0.2° |
| C15 | C17 | C19 | C14 | 0.8° | 0.0° |
| C15 | C17 | C19 | H27 | 179.2° | 180.0° |
| H25 | C17 | C19 | C14 | 179.2° | 179.7° |
| H25 | C17 | C19 | H27 | 0.8° | 0.3° |
| C16 | C18 | C14 | C19 | 0.2° | 0.3° |
| H26 | C18 | C14 | C19 | 179.8° | 179.7° |
| C14 | C19 | C17 | H27 | 180.0° | 180.0° |
| C20 | N4 | C24 | C12 | 179.6° | 179.9° |
| N4 | C20 | C21 | C22 | 110.8° | 118.4° |
| N4 | C20 | C21 | H28 | 122.5° | 120.1° |
| N4 | C20 | C22 | H28 | 121.6° | 118.3° |
| N4 | C20 | C21 | O5 | 40.5° | 38.5° |
| N4 | C20 | C22 | C23 | 31.2° | 5.1° |
| N4 | C20 | C22 | H29 | 87.9° | 124.5° |
| N4 | C20 | C22 | H30 | 150.2° | 114.8° |
| C20 | N4 | C24 | C23 | 0.5° | 5.9° |
| C20 | N4 | C24 | H33 | 119.5° | 125.8° |
| C20 | N4 | C24 | H34 | 118.6° | 114.0° |
| N4 | C20 | C21 | N5 | 144.4° | 142.4° |
| C24 | N4 | C20 | C21 | 136.3° | 112.1° |
| C24 | N4 | C20 | C22 | 19.3° | 6.9° |
| C24 | N4 | C20 | H28 | 101.7° | 125.9° |
| N4 | C24 | C23 | C22 | 20.9° | 2.6° |
| N4 | C24 | C23 | H33 | 119.0° | 120.0° |
| N4 | C24 | C23 | H34 | 119.0° | 120.2° |
| N4 | C24 | C23 | H31 | 140.5° | 121.8° |
| N4 | C24 | C23 | H32 | 98.7° | 117.0° |
| N4 | C24 | H33 | H34 | 122.7° | 120.5° |
| C21 | C20 | C22 | H28 | 126.8° | 122.6° |
| C20 | C21 | O5 | N5 | 174.9° | 179.2° |
| C21 | C20 | C22 | C23 | 142.8° | 114.0° |
| C21 | C20 | C22 | H29 | 23.7° | 5.4° |
| C21 | C20 | C22 | H30 | 98.2° | 126.1° |
| C20 | C21 | N5 | C25 | 67.6° | 1.5° |
| C20 | C21 | N5 | C26 | 120.4° | 177.6° |
| C21 | C20 | N4 | C12 | 43.3° | 68.0° |
| C22 | C20 | C21 | O5 | 70.3° | 80.0° |
| C20 | C22 | C23 | H29 | 119.0° | 119.2° |
| C20 | C22 | C23 | H30 | 119.0° | 119.7° |
| C20 | C22 | H29 | H30 | 122.8° | 121.0° |
| C20 | C22 | C23 | C24 | 32.8° | 1.5° |
| C20 | C22 | C23 | H31 | 152.4° | 117.5° |
| C20 | C22 | C23 | H32 | 86.8° | 120.6° |
| C22 | C20 | N4 | C12 | 160.3° | 173.1° |
| C22 | C20 | C21 | N5 | 104.8° | 99.2° |
| H28 | C20 | C21 | O5 | 163.0° | 158.6° |
| H28 | C20 | C22 | C23 | 90.5° | 123.4° |
| H28 | C20 | C22 | H29 | 150.5° | 117.2° |
| H28 | C20 | C22 | H30 | 28.6° | 3.5° |
| H28 | C20 | N4 | C12 | 78.7° | 54.0° |
| H28 | C20 | C21 | N5 | 21.9° | 22.3° |
| O5 | C21 | N5 | C25 | 107.3° | 179.3° |
| O5 | C21 | N5 | C26 | 64.7° | 1.6° |
| C23 | C22 | H29 | H30 | 122.8° | 121.7° |
| C22 | C23 | C24 | H31 | 119.6° | 119.2° |
| C22 | C23 | C24 | H32 | 119.6° | 119.6° |
| C22 | C23 | H31 | H32 | 121.2° | 122.3° |
| C22 | C23 | C24 | H33 | 140.0° | 122.6° |
| C22 | C23 | C24 | H34 | 98.1° | 117.6° |
| H29 | C22 | C23 | C24 | 86.3° | 120.7° |
| H29 | C22 | C23 | H31 | 33.3° | 1.7° |
| H29 | C22 | C23 | H32 | 154.1° | 120.2° |
| H30 | C22 | C23 | C24 | 151.8° | 118.1° |
| H30 | C22 | C23 | H31 | 88.6° | 122.8° |
| H30 | C22 | C23 | H32 | 32.2° | 1.0° |
| C24 | C23 | H31 | H32 | 121.1° | 121.3° |
| C23 | C24 | H33 | H34 | 122.8° | 119.8° |
| C23 | C24 | N4 | C12 | 179.9° | 174.0° |
| H31 | C23 | C24 | H33 | 100.4° | 118.2° |
| H31 | C23 | C24 | H34 | 21.5° | 1.6° |
| H32 | C23 | C24 | H33 | 20.4° | 3.0° |
| H32 | C23 | C24 | H34 | 142.3° | 122.8° |
| H33 | C24 | N4 | C12 | 60.9° | 54.2° |
| H34 | C24 | N4 | C12 | 61.0° | 66.1° |
| C25 | N5 | C26 | C21 | 171.3° | 179.1° |
| N5 | C25 | H35 | H36 | 120.0° | 120.0° |
| N5 | C25 | H35 | H37 | 120.0° | 120.0° |
| N5 | C25 | H36 | H37 | 120.0° | 120.1° |
| C25 | N5 | C26 | C27 | 34.4° | 108.0° |
| C25 | N5 | C26 | C30 | 100.1° | 13.5° |
| C25 | N5 | C26 | H38 | 145.5° | 132.5° |
| C26 | N5 | C25 | H35 | 180.0° | 179.1° |
| C26 | N5 | C25 | H36 | 60.0° | 59.1° |
| C26 | N5 | C25 | H37 | 60.0° | 60.9° |
| N5 | C26 | C27 | C30 | 138.9° | 122.3° |
| N5 | C26 | C27 | H38 | 111.4° | 119.4° |
| N5 | C26 | C30 | H38 | 114.7° | 119.3° |
| N5 | C26 | C27 | C28 | 179.1° | 173.7° |
| N5 | C26 | C27 | C29 | 59.3° | 66.3° |
| N5 | C26 | C27 | H39 | 60.1° | 53.7° |
| N5 | C26 | C30 | O6 | 75.4° | 95.5° |
| N5 | C26 | C30 | N6 | 105.5° | 83.5° |
| H35 | C25 | H36 | H37 | 120.0° | 119.9° |
| H35 | C25 | N5 | C21 | 9.1° | 0.0° |
| H36 | C25 | N5 | C21 | 110.9° | 119.9° |
| H37 | C25 | N5 | C21 | 129.1° | 120.0° |
| C27 | C26 | C30 | H38 | 109.6° | 118.8° |
| C26 | C27 | C28 | C29 | 121.7° | 120.0° |
| C26 | C27 | C28 | H39 | 118.9° | 120.0° |
| C26 | C27 | C29 | H39 | 119.1° | 120.0° |
| C26 | C27 | C28 | H40 | 180.0° | 60.0° |
| C26 | C27 | C28 | H41 | 60.0° | 180.0° |
| C26 | C27 | C28 | H42 | 60.0° | 60.0° |
| C26 | C27 | C29 | H43 | 180.0° | 70.5° |
| C26 | C27 | C29 | H44 | 60.0° | 169.5° |
| C26 | C27 | C29 | H45 | 60.0° | 49.4° |
| C27 | C26 | C30 | O6 | 60.3° | 142.6° |
| C27 | C26 | N5 | C21 | 154.4° | 72.9° |
| C27 | C26 | C30 | N6 | 118.8° | 38.4° |
| C30 | C26 | C27 | C28 | 40.2° | 51.4° |
| C30 | C26 | C27 | C29 | 161.8° | 171.4° |
| C30 | C26 | C27 | H39 | 78.8° | 68.6° |
| C26 | C30 | O6 | N6 | 179.0° | 179.0° |
| C26 | C30 | N6 | C31 | 170.9° | 169.3° |
| C26 | C30 | N6 | H46 | 9.2° | 11.5° |
| C30 | C26 | N5 | C21 | 71.2° | 165.6° |
| H38 | C26 | C27 | C28 | 69.5° | 66.9° |
| H38 | C26 | C27 | C29 | 52.2° | 53.1° |
| H38 | C26 | C27 | H39 | 171.5° | 173.1° |
| H38 | C26 | C30 | O6 | 169.9° | 23.8° |
| H38 | C26 | N5 | C21 | 43.3° | 46.6° |
| H38 | C26 | C30 | N6 | 9.2° | 157.2° |
| C28 | C27 | C29 | H39 | 119.3° | 120.0° |
| C27 | C28 | H40 | H41 | 120.0° | 120.0° |
| C27 | C28 | H40 | H42 | 120.0° | 120.0° |
| C27 | C28 | H41 | H42 | 120.0° | 120.0° |
| C28 | C27 | C29 | H43 | 58.5° | 169.5° |
| C28 | C27 | C29 | H44 | 61.5° | 49.4° |
| C28 | C27 | C29 | H45 | 178.5° | 70.6° |
| C29 | C27 | C28 | H40 | 58.3° | 60.0° |
| C29 | C27 | C28 | H41 | 178.3° | 60.0° |
| C29 | C27 | C28 | H42 | 61.7° | 180.0° |
| C27 | C29 | H43 | H44 | 120.0° | 120.0° |
| C27 | C29 | H43 | H45 | 120.0° | 120.0° |
| C27 | C29 | H44 | H45 | 120.0° | 120.0° |
| H39 | C27 | C28 | H40 | 61.1° | 180.0° |
| H39 | C27 | C28 | H41 | 58.9° | 60.0° |
| H39 | C27 | C28 | H42 | 178.9° | 60.0° |
| H39 | C27 | C29 | H43 | 60.8° | 49.4° |
| H39 | C27 | C29 | H44 | 179.1° | 70.6° |
| H39 | C27 | C29 | H45 | 59.2° | 169.4° |
| H40 | C28 | H41 | H42 | 120.0° | 119.9° |
| H43 | C29 | H44 | H45 | 120.0° | 120.0° |
| O6 | C30 | N6 | C31 | 8.2° | 11.7° |
| O6 | C30 | N6 | H46 | 171.8° | 167.4° |
| N6 | C31 | C33 | C36 | 1.0° | 46.2° |
| N6 | C31 | C32 | O7 | 62.6° | 26.1° |
| N6 | C31 | C33 | C32 | 175.8° | 178.0° |
| N6 | C31 | C33 | C34 | 177.1° | 133.7° |
| C31 | N6 | H46 | C30 | 180.0° | 179.2° |
| N6 | C31 | C32 | N7 | 119.2° | 154.7° |
| O9 | C36 | C33 | H50 | 117.0° | 120.0° |
| O9 | C36 | C33 | H51 | 117.0° | 120.1° |
| O9 | C36 | C33 | C31 | 84.1° | 9.8° |
| O9 | C36 | C33 | C34 | 92.4° | 170.3° |
| O9 | C36 | H50 | H51 | 128.2° | 120.1° |
| C36 | C33 | C31 | C34 | 176.0° | 179.9° |
| C36 | C33 | C31 | C32 | 174.7° | 135.8° |
| C36 | C33 | C34 | C35 | 11.2° | 79.1° |
| C36 | C33 | C34 | O8 | 51.0° | 145.1° |
| C36 | C33 | C34 | H47 | 160.2° | 67.8° |
| C33 | C36 | H50 | H51 | 128.2° | 119.9° |
| C33 | C36 | O9 | H52 | 180.0° | 175.2° |
| O7 | C32 | C31 | C33 | 113.5° | 152.0° |
| O7 | C32 | C31 | N7 | 178.2° | 179.2° |
| O7 | C32 | N7 | C37 | 12.9° | 3.0° |
| O7 | C32 | N7 | C41 | 163.3° | 176.7° |
| C31 | C33 | C34 | C35 | 165.0° | 100.8° |
| C31 | C33 | C34 | O8 | 132.7° | 34.8° |
| C33 | C31 | N6 | H46 | 120.6° | 174.7° |
| C31 | C33 | C34 | H47 | 16.1° | 112.2° |
| C31 | C33 | C36 | H50 | 32.9° | 129.8° |
| C31 | C33 | C36 | H51 | 158.9° | 110.3° |
| C33 | C31 | N6 | C30 | 59.4° | 4.5° |
| C33 | C31 | C32 | N7 | 64.7° | 27.2° |
| C32 | C31 | C33 | C34 | 1.3° | 44.3° |
| C32 | C31 | N6 | H46 | 55.3° | 3.4° |
| C31 | C32 | N7 | C37 | 165.2° | 176.2° |
| C31 | C32 | N7 | C41 | 18.6° | 4.1° |
| C32 | C31 | N6 | C30 | 124.7° | 177.4° |
| C33 | C34 | C35 | O8 | 105.1° | 106.8° |
| C33 | C34 | C35 | H47 | 149.0° | 146.3° |
| C33 | C34 | O8 | H47 | 149.0° | 146.4° |
| C33 | C34 | C35 | H48 | 5.2° | 0.0° |
| C33 | C34 | C35 | H49 | 144.6° | 146.3° |
| C34 | C33 | C36 | H50 | 150.5° | 50.3° |
| C34 | C33 | C36 | H51 | 24.5° | 69.6° |
| C35 | C34 | O8 | H47 | 106.9° | 106.8° |
| C34 | C35 | O8 | H48 | 110.3° | 106.9° |
| C34 | C35 | O8 | H49 | 110.3° | 106.8° |
| C34 | C35 | H48 | H49 | 143.0° | 147.0° |
| O8 | C35 | H48 | H49 | 143.0° | 147.0° |
| H47 | C34 | C35 | H48 | 143.7° | 146.3° |
| H47 | C34 | C35 | H49 | 4.4° | 0.0° |
| H50 | C36 | O9 | H52 | 63.0° | 64.9° |
| H51 | C36 | O9 | H52 | 63.0° | 55.1° |
| C37 | N7 | C41 | C32 | 176.5° | 179.7° |
| N7 | C37 | C38 | C39 | 116.9° | 120.3° |
| N7 | C37 | C38 | H53 | 123.6° | 120.7° |
| N7 | C37 | C39 | H53 | 116.1° | 119.0° |
| N7 | C37 | C38 | O10 | 173.4° | 11.4° |
| N7 | C37 | C39 | C40 | 28.3° | 6.0° |
| N7 | C37 | C39 | H54 | 90.9° | 125.1° |
| N7 | C37 | C39 | H55 | 147.4° | 113.3° |
| C37 | N7 | C41 | C40 | 3.2° | 14.4° |
| C37 | N7 | C41 | H58 | 122.1° | 104.6° |
| C37 | N7 | C41 | H59 | 115.8° | 133.8° |
| N7 | C37 | C38 | N8 | 4.9° | 168.0° |
| C41 | N7 | C37 | C38 | 137.1° | 125.7° |
| C41 | N7 | C37 | C39 | 15.7° | 5.1° |
| C41 | N7 | C37 | H53 | 99.9° | 113.9° |
| N7 | C41 | C40 | C39 | 21.8° | 17.8° |
| N7 | C41 | C40 | H58 | 119.0° | 119.5° |
| N7 | C41 | C40 | H59 | 119.0° | 120.1° |
| N7 | C41 | C40 | H56 | 141.5° | 101.3° |
| N7 | C41 | C40 | H57 | 97.9° | 136.8° |
| N7 | C41 | H58 | H59 | 123.0° | 121.8° |
| C38 | C37 | C39 | H53 | 119.3° | 118.7° |
| C37 | C38 | O10 | N8 | 178.1° | 179.5° |
| C38 | C37 | C39 | C40 | 152.8° | 116.3° |
| C38 | C37 | C39 | H54 | 33.6° | 2.7° |
| C38 | C37 | C39 | H55 | 88.1° | 124.3° |
| C37 | C38 | N8 | C42 | 168.2° | 161.6° |
| C37 | C38 | N8 | H60 | 11.8° | 15.6° |
| C38 | C37 | N7 | C32 | 46.2° | 54.1° |
| C39 | C37 | C38 | O10 | 56.5° | 131.7° |
| C37 | C39 | C40 | H54 | 119.1° | 119.2° |
| C37 | C39 | C40 | H55 | 119.1° | 119.1° |
| C37 | C39 | H54 | H55 | 122.5° | 121.6° |
| C37 | C39 | C40 | C41 | 31.8° | 14.3° |
| C37 | C39 | C40 | H56 | 151.5° | 104.6° |
| C37 | C39 | C40 | H57 | 88.0° | 133.1° |
| C39 | C37 | N7 | C32 | 167.5° | 174.6° |
| C39 | C37 | C38 | N8 | 121.7° | 47.7° |
| H53 | C37 | C38 | O10 | 63.0° | 109.3° |
| H53 | C37 | C39 | C40 | 87.9° | 125.0° |
| H53 | C37 | C39 | H54 | 153.0° | 115.9° |
| H53 | C37 | C39 | H55 | 31.3° | 5.6° |
| H53 | C37 | N7 | C32 | 76.9° | 66.4° |
| H53 | C37 | C38 | N8 | 118.8° | 71.2° |
| O10 | C38 | N8 | C42 | 13.7° | 18.9° |
| O10 | C38 | N8 | H60 | 166.3° | 163.9° |
| C40 | C39 | H54 | H55 | 122.5° | 121.9° |
| C39 | C40 | C41 | H56 | 119.7° | 119.1° |
| C39 | C40 | C41 | H57 | 119.7° | 119.0° |
| C39 | C40 | H56 | H57 | 120.8° | 122.3° |
| C39 | C40 | C41 | H58 | 140.8° | 101.8° |
| C39 | C40 | C41 | H59 | 97.2° | 137.8° |
| H54 | C39 | C40 | C41 | 87.4° | 133.5° |
| H54 | C39 | C40 | H56 | 32.4° | 14.6° |
| H54 | C39 | C40 | H57 | 152.9° | 107.7° |
| H55 | C39 | C40 | C41 | 150.9° | 104.9° |
| H55 | C39 | C40 | H56 | 89.4° | 136.3° |
| H55 | C39 | C40 | H57 | 31.2° | 14.0° |
| C41 | C40 | H56 | H57 | 120.8° | 121.8° |
| C40 | C41 | H58 | H59 | 122.9° | 119.9° |
| C40 | C41 | N7 | C32 | 173.3° | 165.3° |
| H56 | C40 | C41 | H58 | 99.5° | 139.1° |
| H56 | C40 | C41 | H59 | 22.5° | 18.7° |
| H57 | C40 | C41 | H58 | 21.1° | 17.2° |
| H57 | C40 | C41 | H59 | 143.1° | 103.2° |
| H58 | C41 | N7 | C32 | 54.3° | 75.7° |
| H59 | C41 | N7 | C32 | 67.7° | 45.9° |
| O11 | C43 | C42 | N9 | 178.5° | 179.2° |
| O11 | C43 | C42 | C44 | 60.2° | 177.3° |
| O11 | C43 | C42 | N8 | 67.5° | 51.5° |
| O11 | C43 | C42 | H61 | 175.6° | 64.6° |
| O11 | C43 | N9 | C52 | 161.3° | 100.7° |
| O11 | C43 | N9 | C53 | 17.2° | 77.1° |
| C43 | C42 | C44 | O12 | 99.2° | 127.8° |
| C43 | C42 | C44 | N8 | 120.2° | 125.4° |
| C43 | C42 | C44 | H61 | 115.7° | 117.8° |
| C43 | C42 | C44 | C45 | 130.5° | 112.7° |
| C43 | C42 | N8 | H61 | 116.4° | 116.0° |
| C43 | C42 | N8 | H60 | 81.6° | 116.8° |
| C43 | C42 | C44 | H62 | 17.9° | 7.2° |
| C42 | C43 | N9 | C52 | 17.2° | 78.5° |
| C42 | C43 | N9 | C53 | 164.3° | 103.7° |
| C43 | C42 | N8 | C38 | 98.4° | 60.4° |
| O12 | C44 | C42 | C45 | 130.3° | 119.4° |
| O12 | C44 | C42 | H62 | 117.1° | 120.7° |
| O12 | C44 | C45 | H62 | 115.7° | 118.7° |
| O12 | C44 | C42 | N8 | 21.0° | 2.4° |
| O12 | C44 | C45 | C46 | 127.8° | 103.1° |
| O12 | C44 | C45 | C47 | 53.9° | 76.4° |
| O12 | C44 | C42 | H61 | 145.1° | 114.4° |
| C42 | C44 | C45 | H62 | 112.5° | 121.0° |
| C44 | C42 | N8 | H61 | 123.5° | 117.1° |
| C42 | C44 | C45 | C46 | 100.5° | 136.6° |
| C42 | C44 | C45 | C47 | 77.8° | 43.9° |
| C44 | C42 | N8 | H60 | 38.5° | 116.3° |
| C42 | C44 | O12 | H63 | 180.0° | 180.0° |
| C44 | C42 | N8 | C38 | 141.5° | 66.5° |
| C44 | C42 | C43 | N9 | 121.3° | 1.9° |
| C45 | C44 | C42 | N8 | 109.2° | 121.9° |
| C44 | C45 | C46 | C47 | 178.4° | 179.5° |
| C44 | C45 | C46 | C48 | 179.5° | 179.4° |
| C44 | C45 | C47 | C49 | 179.3° | 180.0° |
| C45 | C44 | C42 | H61 | 14.9° | 5.0° |
| C45 | C44 | O12 | H63 | 51.6° | 59.5° |
| C44 | C45 | C46 | H64 | 0.5° | 0.9° |
| C44 | C45 | C47 | H65 | 0.7° | 0.0° |
| C42 | N8 | H60 | C38 | 180.0° | 177.6° |
| N8 | C42 | C44 | H62 | 138.1° | 118.2° |
| N8 | C42 | C43 | N9 | 111.0° | 127.7° |
| C45 | C46 | C48 | H64 | 180.0° | 179.7° |
| C45 | C46 | C48 | C50 | 0.5° | 1.0° |
| C46 | C45 | C47 | C49 | 0.9° | 0.5° |
| C46 | C45 | C44 | H62 | 12.1° | 15.6° |
| C46 | C45 | C47 | H65 | 179.0° | 179.5° |
| C45 | C46 | C48 | O15 | 179.1° | 177.8° |
| C48 | C46 | C45 | C47 | 1.1° | 1.1° |
| C46 | C48 | C50 | O15 | 179.6° | 178.8° |
| C46 | C48 | C50 | C49 | 0.2° | 0.2° |
| C46 | C48 | C50 | O13 | 179.4° | 179.8° |
| C46 | C48 | O15 | C67 | 10.8° | 32.1° |
| C45 | C47 | C49 | H65 | 180.0° | 180.0° |
| C45 | C47 | C49 | C50 | 0.3° | 0.3° |
| C47 | C45 | C44 | H62 | 169.6° | 164.9° |
| C47 | C45 | C46 | H64 | 178.9° | 178.6° |
| C45 | C47 | C49 | H66 | 179.7° | 179.7° |
| C48 | C50 | C49 | C47 | 0.3° | 0.5° |
| C48 | C50 | C49 | O13 | 179.2° | 180.0° |
| C48 | C50 | O13 | C51 | 157.7° | 180.0° |
| C50 | C48 | C46 | H64 | 179.5° | 178.7° |
| C48 | C50 | C49 | H66 | 179.7° | 179.6° |
| C50 | C48 | O15 | C67 | 169.7° | 146.7° |
| C47 | C49 | C50 | H66 | 180.0° | 180.0° |
| C47 | C49 | C50 | O13 | 179.5° | 179.5° |
| C49 | C50 | O13 | C51 | 23.1° | 0.1° |
| C50 | C49 | C47 | H65 | 179.7° | 179.7° |
| C49 | C50 | C48 | O15 | 179.8° | 178.6° |
| O13 | C50 | C49 | H66 | 0.5° | 0.5° |
| C50 | O13 | C51 | H67 | 180.0° | 60.0° |
| C50 | O13 | C51 | H68 | 60.0° | 180.0° |
| C50 | O13 | C51 | H69 | 60.0° | 60.0° |
| O13 | C50 | C48 | O15 | 1.0° | 1.4° |
| O13 | C51 | H67 | H68 | 120.0° | 120.0° |
| O13 | C51 | H67 | H69 | 120.0° | 120.0° |
| O13 | C51 | H68 | H69 | 120.0° | 120.0° |
| H60 | N8 | C42 | H61 | 162.0° | 0.8° |
| H61 | C42 | C44 | H62 | 97.7° | 124.9° |
| H61 | C42 | N8 | C38 | 18.0° | 176.4° |
| H61 | C42 | C43 | N9 | 5.9° | 116.2° |
| H62 | C44 | O12 | H63 | 63.5° | 58.7° |
| H64 | C46 | C48 | O15 | 0.9° | 2.4° |
| H65 | C47 | C49 | H66 | 0.3° | 0.3° |
| H67 | C51 | H68 | H69 | 120.0° | 120.0° |
| C52 | N9 | C53 | C43 | 178.5° | 177.8° |
| N9 | C52 | H70 | H71 | 120.0° | 119.9° |
| N9 | C52 | H70 | H72 | 120.0° | 120.0° |
| N9 | C52 | H71 | H72 | 120.0° | 120.0° |
| C52 | N9 | C53 | C54 | 48.2° | 156.6° |
| C52 | N9 | C53 | C57 | 76.4° | 35.8° |
| C52 | N9 | C53 | H73 | 166.5° | 85.4° |
| C53 | N9 | C52 | H70 | 180.0° | 177.7° |
| C53 | N9 | C52 | H71 | 60.0° | 57.8° |
| C53 | N9 | C52 | H72 | 60.0° | 62.2° |
| N9 | C53 | C54 | C57 | 122.7° | 121.3° |
| N9 | C53 | C54 | H73 | 119.0° | 116.9° |
| N9 | C53 | C57 | H73 | 117.6° | 118.9° |
| N9 | C53 | C54 | C55 | 112.3° | 179.6° |
| N9 | C53 | C54 | C56 | 123.6° | 59.6° |
| N9 | C53 | C54 | H74 | 5.9° | 60.5° |
| N9 | C53 | C57 | O14 | 36.6° | 39.9° |
| N9 | C53 | C57 | N10 | 147.9° | 141.2° |
| H70 | C52 | H71 | H72 | 120.0° | 120.1° |
| H70 | C52 | N9 | C43 | 1.5° | 0.1° |
| H71 | C52 | N9 | C43 | 121.5° | 120.0° |
| H72 | C52 | N9 | C43 | 118.5° | 120.0° |
| C54 | C53 | C57 | H73 | 118.2° | 120.6° |
| C53 | C54 | C55 | C56 | 123.6° | 120.0° |
| C53 | C54 | C55 | H74 | 118.1° | 120.0° |
| C53 | C54 | C56 | H74 | 117.4° | 120.1° |
| C53 | C54 | C55 | H75 | 180.0° | 171.5° |
| C53 | C54 | C55 | H76 | 60.0° | 51.5° |
| C53 | C54 | C55 | H77 | 60.0° | 68.5° |
| C53 | C54 | C56 | H78 | 180.0° | 83.8° |
| C53 | C54 | C56 | H79 | 60.0° | 156.2° |
| C53 | C54 | C56 | H80 | 60.0° | 36.2° |
| C54 | C53 | C57 | O14 | 87.6° | 80.6° |
| C54 | C53 | N9 | C43 | 130.3° | 25.5° |
| C54 | C53 | C57 | N10 | 87.9° | 98.3° |
| C57 | C53 | C54 | C55 | 10.4° | 59.1° |
| C57 | C53 | C54 | C56 | 113.7° | 179.1° |
| C57 | C53 | C54 | H74 | 128.7° | 60.8° |
| C53 | C57 | O14 | N10 | 175.2° | 179.0° |
| C53 | C57 | N10 | C58 | 45.0° | 10.3° |
| C53 | C57 | N10 | C59 | 177.3° | 170.9° |
| C57 | C53 | N9 | C43 | 105.1° | 146.3° |
| H73 | C53 | C54 | C55 | 128.7° | 62.7° |
| H73 | C53 | C54 | C56 | 4.6° | 57.3° |
| H73 | C53 | C54 | H74 | 113.0° | 177.4° |
| H73 | C53 | C57 | O14 | 154.2° | 158.8° |
| H73 | C53 | N9 | C43 | 11.9° | 92.4° |
| H73 | C53 | C57 | N10 | 30.3° | 22.2° |
| C55 | C54 | C56 | H74 | 118.2° | 119.9° |
| C54 | C55 | H75 | H76 | 120.0° | 120.0° |
| C54 | C55 | H75 | H77 | 120.0° | 119.9° |
| C54 | C55 | H76 | H77 | 120.0° | 120.0° |
| C55 | C54 | C56 | H78 | 55.7° | 156.2° |
| C55 | C54 | C56 | H79 | 64.3° | 36.3° |
| C55 | C54 | C56 | H80 | 175.7° | 83.8° |
| C56 | C54 | C55 | H75 | 56.4° | 68.4° |
| C56 | C54 | C55 | H76 | 176.4° | 171.5° |
| C56 | C54 | C55 | H77 | 63.6° | 51.5° |
| C54 | C56 | H78 | H79 | 120.0° | 120.0° |
| C54 | C56 | H78 | H80 | 120.0° | 120.0° |
| C54 | C56 | H79 | H80 | 120.0° | 120.1° |
| H74 | C54 | C55 | H75 | 61.9° | 51.5° |
| H74 | C54 | C55 | H76 | 58.1° | 68.5° |
| H74 | C54 | C55 | H77 | 178.1° | 171.5° |
| H74 | C54 | C56 | H78 | 62.6° | 36.3° |
| H74 | C54 | C56 | H79 | 177.4° | 83.7° |
| H74 | C54 | C56 | H80 | 57.4° | 156.3° |
| H75 | C55 | H76 | H77 | 120.0° | 120.0° |
| H78 | C56 | H79 | H80 | 120.0° | 120.0° |
| O14 | C57 | N10 | C58 | 139.6° | 168.6° |
| O14 | C57 | N10 | C59 | 7.4° | 10.2° |
| O16 | C60 | C59 | O2 | 177.1° | 177.2° |
| O16 | C60 | C59 | N10 | 132.9° | 34.6° |
| O16 | C60 | C59 | C61 | 46.6° | 147.1° |
| C60 | C59 | N10 | C58 | 81.2° | 51.6° |
| C60 | C59 | N10 | C61 | 179.5° | 178.1° |
| C60 | C59 | C61 | C62 | 179.7° | 179.1° |
| C60 | C59 | C61 | H84 | 0.3° | 1.3° |
| C60 | C59 | N10 | C57 | 147.5° | 129.5° |
| C58 | N10 | C59 | C57 | 131.3° | 178.8° |
| C58 | N10 | C59 | C61 | 99.4° | 130.3° |
| N10 | C58 | H81 | H82 | 120.0° | 120.1° |
| N10 | C58 | H81 | H83 | 120.0° | 120.0° |
| N10 | C58 | H82 | H83 | 120.0° | 120.0° |
| N10 | C59 | C61 | C62 | 0.3° | 2.7° |
| C59 | N10 | C58 | H81 | 180.0° | 88.9° |
| C59 | N10 | C58 | H82 | 60.0° | 31.2° |
| C59 | N10 | C58 | H83 | 60.0° | 151.1° |
| N10 | C59 | C61 | H84 | 179.7° | 176.8° |
| N10 | C59 | C60 | O2 | 50.0° | 148.2° |
| C59 | C61 | C62 | H84 | 180.0° | 179.5° |
| C59 | C61 | C62 | C64 | 100.0° | 38.6° |
| C59 | C61 | C62 | C63 | 81.1° | 140.9° |
| C61 | C59 | C60 | O2 | 130.5° | 30.1° |
| C61 | C59 | N10 | C57 | 31.9° | 48.6° |
| C61 | C62 | C64 | C63 | 178.9° | 179.4° |
| C61 | C62 | C64 | C66 | 179.9° | 174.4° |
| C61 | C62 | C63 | C65 | 177.9° | 174.5° |
| C61 | C62 | C63 | H85 | 2.1° | 5.0° |
| C61 | C62 | C64 | H86 | 0.1° | 6.6° |
| C62 | C64 | C66 | H86 | 180.0° | 179.0° |
| C64 | C62 | C63 | C65 | 3.2° | 5.0° |
| C62 | C64 | C66 | C67 | 1.7° | 0.1° |
| C64 | C62 | C61 | H84 | 80.0° | 141.9° |
| C64 | C62 | C63 | H85 | 176.8° | 175.5° |
| C62 | C64 | C66 | H88 | 178.3° | 179.8° |
| C63 | C62 | C64 | C66 | 1.1° | 5.1° |
| C62 | C63 | C65 | H85 | 180.0° | 179.5° |
| C62 | C63 | C65 | C67 | 2.5° | 0.3° |
| C63 | C62 | C61 | H84 | 98.9° | 38.7° |
| C63 | C62 | C64 | H86 | 179.0° | 173.9° |
| C62 | C63 | C65 | H87 | 177.5° | 179.5° |
| C64 | C66 | C67 | H88 | 180.0° | 179.7° |
| C64 | C66 | C67 | C65 | 2.4° | 5.5° |
| C64 | C66 | C67 | O15 | 177.8° | 169.1° |
| C63 | C65 | C67 | C66 | 0.2° | 5.6° |
| C63 | C65 | C67 | H87 | 180.0° | 179.8° |
| C63 | C65 | C67 | O15 | 179.9° | 169.0° |
| C66 | C67 | C65 | O15 | 179.8° | 174.5° |
| C67 | C66 | C64 | H86 | 178.3° | 179.1° |
| C66 | C67 | C65 | H87 | 179.8° | 174.2° |
| C66 | C67 | O15 | C48 | 82.8° | 66.8° |
| C67 | C65 | C63 | H85 | 177.5° | 179.2° |
| C65 | C67 | C66 | H88 | 177.6° | 174.8° |
| C65 | C67 | O15 | C48 | 97.4° | 107.9° |
| O15 | C67 | C65 | H87 | 0.1° | 11.2° |
| O15 | C67 | C66 | H88 | 2.2° | 10.6° |
| H81 | C58 | H82 | H83 | 120.0° | 120.0° |
| H81 | C58 | N10 | C57 | 38.3° | 90.0° |
| H82 | C58 | N10 | C57 | 158.3° | 150.0° |
| H83 | C58 | N10 | C57 | 81.7° | 30.0° |
| H85 | C63 | C65 | H87 | 2.5° | 0.9° |
| H86 | C64 | C66 | H88 | 1.7° | 1.1° |
