A1DJS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| N2 | C14 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C5 | C17 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | O2 | sing | 1.45Å | 1.46Å | |
| O2 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O3 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.52Å | 1.54Å | |
| C26 | C27 | sing | 1.52Å | 1.53Å | |
| C27 | C28 | sing | 1.52Å | 1.52Å | |
| C28 | N3 | sing | 1.46Å | 1.48Å | |
| N3 | N4 | sing | 1.37Å | 1.42Å | |
| N3 | C29 | sing | 1.34Å | 1.40Å | |
| C29 | O4 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.50Å | 1.51Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | O5 | sing | 1.36Å | 1.37Å | |
| O5 | C37 | sing | 1.43Å | 1.44Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.50Å | |
| C41 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C42 | sing | 1.35Å | 1.34Å | |
| C42 | O6 | doub | 1.21Å | 1.22Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C45 | sing | 1.54Å | 1.56Å | |
| C45 | O7 | sing | 1.44Å | 1.46Å | |
| O7 | C46 | sing | 1.45Å | 1.46Å | |
| C39 | C47 | sing | 1.51Å | 1.51Å | |
| C47 | O8 | doub | 1.21Å | 1.23Å | |
| C47 | N6 | sing | 1.35Å | 1.35Å | |
| N6 | C48 | sing | 1.46Å | 1.46Å | |
| N6 | C49 | sing | 1.47Å | 1.46Å | |
| C49 | C50 | sing | 1.53Å | 1.56Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C49 | C53 | sing | 1.50Å | 1.53Å | |
| C53 | O9 | doub | 1.21Å | 1.23Å | |
| C53 | N7 | sing | 1.34Å | 1.35Å | |
| C36 | C54 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C55 | sing | 1.48Å | 1.48Å | |
| C55 | C56 | doub | 1.39Å | 1.39Å | Aromatic |
| C56 | C57 | sing | 1.39Å | 1.39Å | Aromatic |
| C57 | C58 | doub | 1.41Å | 1.41Å | Aromatic |
| C58 | C59 | sing | 1.40Å | 1.40Å | Aromatic |
| C59 | C60 | doub | 1.37Å | 1.38Å | Aromatic |
| C58 | N8 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C61 | sing | 1.47Å | 1.46Å | |
| C61 | C62 | sing | 1.53Å | 1.50Å | |
| C62 | F1 | sing | 1.40Å | 1.33Å | |
| C62 | F2 | sing | 1.40Å | 1.34Å | |
| C62 | F3 | sing | 1.40Å | 1.33Å | |
| C4 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.49Å | |
| C17 | N8 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C57 | sing | 1.46Å | 1.43Å | Aromatic |
| C25 | N4 | sing | 1.47Å | 1.46Å | |
| C30 | N7 | sing | 1.47Å | 1.46Å | |
| C55 | C60 | sing | 1.39Å | 1.43Å | Aromatic |
| C32 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | N5 | sing | 1.46Å | 1.47Å | |
| C43 | C46 | sing | 1.54Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.08Å | 1.08Å | |
| C35 | H46 | sing | 1.08Å | 1.08Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H59 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C48 | H62 | sing | 1.09Å | 1.10Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C50 | H66 | sing | 1.09Å | 1.10Å | |
| C51 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| C52 | H70 | sing | 1.09Å | 1.10Å | |
| C52 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C54 | H74 | sing | 1.08Å | 1.08Å | |
| C56 | H75 | sing | 1.08Å | 1.08Å | |
| C59 | H76 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C60 | H77 | sing | 1.08Å | 1.08Å | |
| C61 | H78 | sing | 1.09Å | 1.10Å | |
| C61 | H79 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 1.01Å | 1.00Å | |
| N7 | H73 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 113.5° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 107.8° | 109.5° |
| O1 | C2 | C4 | 109.5° | 109.5° |
| O1 | C2 | H4 | 110.2° | 109.4° |
| C3 | C2 | C4 | 111.3° | 109.5° |
| C3 | C2 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C4 | C5 | 122.7° | 119.7° |
| C2 | C4 | N1 | 116.5° | 119.7° |
| C4 | C2 | H4 | 108.9° | 109.4° |
| C4 | C5 | C6 | 118.5° | 118.9° |
| C4 | C5 | C17 | 124.0° | 120.5° |
| C5 | C4 | N1 | 120.8° | 120.6° |
| C5 | C6 | C7 | 120.1° | 118.3° |
| C6 | C5 | C17 | 117.6° | 120.6° |
| C5 | C6 | H8 | 120.0° | 120.9° |
| C6 | C7 | C8 | 118.2° | 119.3° |
| C6 | C7 | C9 | 120.4° | 120.4° |
| C7 | C6 | H8 | 120.0° | 120.8° |
| C7 | C8 | N1 | 122.5° | 121.1° |
| C8 | C7 | C9 | 121.2° | 120.3° |
| C7 | C8 | H9 | 118.7° | 119.4° |
| C8 | N1 | C4 | 119.8° | 121.8° |
| N1 | C8 | H9 | 118.7° | 119.5° |
| C7 | C9 | C10 | 113.3° | 109.6° |
| C7 | C9 | C13 | 111.6° | 109.5° |
| C7 | C9 | H10 | 107.7° | 109.5° |
| C9 | C10 | C11 | 109.6° | 109.3° |
| C10 | C9 | C13 | 108.8° | 109.2° |
| C9 | C10 | H11 | 109.4° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| C10 | C9 | H10 | 107.6° | 109.5° |
| C10 | C11 | N2 | 111.9° | 109.5° |
| C11 | C10 | H11 | 109.4° | 109.5° |
| C11 | C10 | H12 | 109.5° | 109.6° |
| C10 | C11 | H13 | 108.9° | 109.5° |
| C10 | C11 | H14 | 108.9° | 109.5° |
| C11 | N2 | C12 | 109.4° | 111.2° |
| C11 | N2 | C14 | 109.6° | 111.0° |
| N2 | C11 | H13 | 108.9° | 109.4° |
| N2 | C11 | H14 | 108.9° | 109.4° |
| N2 | C12 | C13 | 111.8° | 109.5° |
| C12 | N2 | C14 | 110.7° | 111.0° |
| N2 | C12 | H15 | 108.9° | 109.5° |
| N2 | C12 | H16 | 108.9° | 109.5° |
| C12 | C13 | C9 | 112.0° | 109.3° |
| C13 | C12 | H15 | 108.9° | 109.4° |
| C13 | C12 | H16 | 108.9° | 109.4° |
| C12 | C13 | H17 | 108.8° | 109.4° |
| C12 | C13 | H18 | 108.8° | 109.5° |
| N2 | C14 | C15 | 117.5° | 117.5° |
| N2 | C14 | C16 | 117.0° | 117.5° |
| N2 | C14 | H19 | 117.2° | 115.6° |
| C14 | C15 | C16 | 60.0° | 60.0° |
| C15 | C14 | C16 | 60.0° | 60.0° |
| C15 | C14 | H19 | 116.4° | 117.5° |
| C14 | C15 | H20 | 120.0° | 117.5° |
| C14 | C15 | H21 | 120.0° | 117.5° |
| C15 | C16 | C14 | 59.9° | 60.0° |
| C16 | C15 | H20 | 120.0° | 117.4° |
| C16 | C15 | H21 | 120.0° | 117.5° |
| C15 | C16 | H22 | 120.0° | 117.4° |
| C15 | C16 | H23 | 120.0° | 117.5° |
| C5 | C17 | C18 | 124.9° | 125.4° |
| C5 | C17 | N8 | 126.0° | 125.3° |
| C17 | C18 | C19 | 126.3° | 126.4° |
| C18 | C17 | N8 | 108.9° | 109.2° |
| C17 | C18 | C57 | 107.2° | 106.9° |
| C18 | C19 | C20 | 120.9° | 109.4° |
| C19 | C18 | C57 | 126.5° | 126.6° |
| C18 | C19 | H24 | 106.6° | 109.5° |
| C18 | C19 | H25 | 106.5° | 109.5° |
| C19 | C20 | C21 | 111.5° | 109.3° |
| C19 | C20 | C22 | 106.8° | 109.3° |
| C19 | C20 | C23 | 111.3° | 110.3° |
| C20 | C19 | H24 | 106.5° | 109.5° |
| C20 | C19 | H25 | 106.5° | 109.5° |
| C21 | C20 | C22 | 108.2° | 109.3° |
| C21 | C20 | C23 | 109.6° | 109.4° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.4° |
| C22 | C20 | C23 | 109.4° | 109.2° |
| C20 | C22 | H29 | 109.5° | 109.5° |
| C20 | C22 | H30 | 109.5° | 109.5° |
| C20 | C22 | H31 | 109.5° | 109.5° |
| C20 | C23 | O2 | 107.5° | 110.4° |
| C20 | C23 | H32 | 110.0° | 109.3° |
| C20 | C23 | H33 | 110.0° | 109.3° |
| C23 | O2 | C24 | 116.3° | 117.9° |
| O2 | C23 | H32 | 109.9° | 109.3° |
| O2 | C23 | H33 | 109.9° | 109.3° |
| O2 | C24 | O3 | 124.0° | 119.8° |
| O2 | C24 | C25 | 111.0° | 120.4° |
| O3 | C24 | C25 | 125.0° | 119.8° |
| C24 | C25 | C26 | 109.5° | 108.9° |
| C24 | C25 | N4 | 108.1° | 109.4° |
| C24 | C25 | H34 | 109.0° | 109.1° |
| C25 | C26 | C27 | 112.7° | 111.6° |
| C26 | C25 | N4 | 111.9° | 109.6° |
| C26 | C25 | H34 | 108.6° | 109.6° |
| C25 | C26 | H35 | 108.7° | 109.1° |
| C25 | C26 | H36 | 108.6° | 109.1° |
| C26 | C27 | C28 | 110.2° | 110.7° |
| C27 | C26 | H35 | 108.6° | 109.0° |
| C27 | C26 | H36 | 108.7° | 109.0° |
| C26 | C27 | H37 | 109.3° | 109.2° |
| C26 | C27 | H38 | 109.3° | 109.2° |
| C27 | C28 | N3 | 111.9° | 110.0° |
| C28 | C27 | H37 | 109.3° | 109.2° |
| C28 | C27 | H38 | 109.3° | 109.3° |
| C27 | C28 | H39 | 108.9° | 109.4° |
| C27 | C28 | H40 | 108.9° | 109.4° |
| C28 | N3 | N4 | 116.8° | 119.5° |
| C28 | N3 | C29 | 125.5° | 120.6° |
| N3 | C28 | H39 | 108.8° | 109.4° |
| N3 | C28 | H40 | 108.8° | 109.3° |
| N4 | N3 | C29 | 117.7° | 119.8° |
| N3 | N4 | C25 | 110.4° | 110.6° |
| N3 | N4 | H41 | 109.3° | 111.0° |
| N3 | C29 | O4 | 120.1° | 118.4° |
| N3 | C29 | C30 | 118.6° | 123.1° |
| O4 | C29 | C30 | 121.3° | 118.5° |
| C29 | C30 | C31 | 106.0° | 108.0° |
| C29 | C30 | N7 | 112.4° | 109.2° |
| C29 | C30 | H42 | 109.0° | 109.9° |
| C30 | C31 | C32 | 111.3° | 112.8° |
| C31 | C30 | N7 | 110.6° | 107.5° |
| C31 | C30 | H42 | 108.8° | 110.9° |
| C30 | C31 | H43 | 109.0° | 108.8° |
| C30 | C31 | H44 | 109.0° | 108.8° |
| C31 | C32 | C33 | 120.7° | 118.9° |
| C31 | C32 | C54 | 119.7° | 122.3° |
| C32 | C31 | H43 | 109.0° | 108.8° |
| C32 | C31 | H44 | 109.0° | 108.8° |
| C32 | C33 | C34 | 121.1° | 121.0° |
| C33 | C32 | C54 | 119.6° | 118.9° |
| C32 | C33 | H45 | 119.4° | 119.5° |
| C33 | C34 | C35 | 118.5° | 120.0° |
| C33 | C34 | C55 | 120.5° | 116.1° |
| C34 | C33 | H45 | 119.5° | 119.5° |
| C34 | C35 | C36 | 120.5° | 118.8° |
| C35 | C34 | C55 | 121.0° | 123.9° |
| C34 | C35 | H46 | 119.7° | 120.6° |
| C35 | C36 | O5 | 120.0° | 119.0° |
| C35 | C36 | C54 | 120.0° | 120.5° |
| C36 | C35 | H46 | 119.8° | 120.6° |
| C36 | O5 | C37 | 118.5° | 117.3° |
| O5 | C36 | C54 | 120.0° | 120.5° |
| O5 | C37 | C38 | 108.7° | 109.6° |
| O5 | C37 | H47 | 109.7° | 109.4° |
| O5 | C37 | H48 | 109.7° | 109.5° |
| C37 | C38 | C39 | 112.4° | 110.3° |
| C37 | C38 | N5 | 110.5° | 110.2° |
| C38 | C37 | H47 | 109.7° | 109.4° |
| C38 | C37 | H48 | 109.7° | 109.5° |
| C37 | C38 | H49 | 110.7° | 109.4° |
| C38 | C39 | C40 | 106.0° | 106.2° |
| C38 | C39 | C47 | 109.5° | 109.2° |
| C39 | C38 | N5 | 101.5° | 108.0° |
| C39 | C38 | H49 | 110.0° | 109.2° |
| C38 | C39 | H50 | 109.6° | 110.2° |
| C39 | C40 | C41 | 103.2° | 105.9° |
| C40 | C39 | C47 | 111.3° | 110.3° |
| C40 | C39 | H50 | 110.0° | 110.6° |
| C39 | C40 | H51 | 111.0° | 110.2° |
| C39 | C40 | H52 | 111.0° | 110.2° |
| C40 | C41 | N5 | 100.8° | 107.5° |
| C41 | C40 | H51 | 111.0° | 110.2° |
| C41 | C40 | H52 | 111.0° | 110.2° |
| C40 | C41 | H53 | 111.6° | 109.9° |
| C40 | C41 | H54 | 111.6° | 109.9° |
| C41 | N5 | C42 | 128.3° | 125.5° |
| C41 | N5 | C38 | 110.7° | 109.0° |
| N5 | C41 | H53 | 111.6° | 109.9° |
| N5 | C41 | H54 | 111.6° | 109.8° |
| N5 | C42 | O6 | 119.6° | 120.0° |
| N5 | C42 | C43 | 123.6° | 120.0° |
| C42 | N5 | C38 | 121.0° | 125.5° |
| O6 | C42 | C43 | 116.8° | 120.0° |
| C42 | C43 | C44 | 109.1° | 113.0° |
| C42 | C43 | C45 | 119.4° | 113.8° |
| C42 | C43 | C46 | 110.5° | 113.8° |
| C44 | C43 | C45 | 115.4° | 113.7° |
| C44 | C43 | C46 | 116.3° | 113.8° |
| C43 | C44 | H55 | 109.5° | 109.5° |
| C43 | C44 | H56 | 109.5° | 109.5° |
| C43 | C44 | H57 | 109.5° | 109.5° |
| C43 | C45 | O7 | 89.7° | 85.5° |
| C45 | C43 | C46 | 84.4° | 86.0° |
| C43 | C45 | H58 | 114.2° | 113.9° |
| C43 | C45 | H59 | 114.2° | 113.9° |
| C45 | O7 | C46 | 91.8° | 93.4° |
| O7 | C45 | H58 | 114.2° | 113.8° |
| O7 | C45 | H59 | 114.2° | 113.8° |
| O7 | C46 | C43 | 90.4° | 85.4° |
| O7 | C46 | H60 | 114.0° | 113.8° |
| O7 | C46 | H61 | 114.0° | 114.1° |
| C39 | C47 | O8 | 120.1° | 120.7° |
| C39 | C47 | N6 | 117.8° | 118.6° |
| C47 | C39 | H50 | 110.3° | 110.3° |
| O8 | C47 | N6 | 122.1° | 120.6° |
| C47 | N6 | C48 | 123.0° | 120.6° |
| C47 | N6 | C49 | 117.8° | 118.8° |
| C48 | N6 | C49 | 119.2° | 120.6° |
| N6 | C48 | H62 | 109.5° | 109.5° |
| N6 | C48 | H63 | 109.5° | 109.5° |
| N6 | C48 | H64 | 109.5° | 109.5° |
| N6 | C49 | C50 | 115.0° | 109.6° |
| N6 | C49 | C53 | 105.5° | 108.8° |
| N6 | C49 | H65 | 108.4° | 109.7° |
| C49 | C50 | C51 | 111.6° | 109.5° |
| C49 | C50 | C52 | 109.2° | 109.5° |
| C50 | C49 | C53 | 113.0° | 109.6° |
| C50 | C49 | H65 | 107.2° | 109.6° |
| C49 | C50 | H66 | 108.5° | 109.5° |
| C51 | C50 | C52 | 109.9° | 109.4° |
| C51 | C50 | H66 | 108.8° | 109.5° |
| C50 | C51 | H67 | 109.5° | 109.5° |
| C50 | C51 | H68 | 109.4° | 109.5° |
| C50 | C51 | H69 | 109.5° | 109.5° |
| C52 | C50 | H66 | 108.8° | 109.5° |
| C50 | C52 | H70 | 109.5° | 109.5° |
| C50 | C52 | H71 | 109.5° | 109.5° |
| C50 | C52 | H72 | 109.4° | 109.4° |
| C49 | C53 | O9 | 120.1° | 118.6° |
| C49 | C53 | N7 | 116.2° | 122.8° |
| C53 | C49 | H65 | 107.5° | 109.6° |
| O9 | C53 | N7 | 123.4° | 118.6° |
| C53 | N7 | C30 | 122.2° | 119.8° |
| C53 | N7 | H73 | 118.9° | 120.2° |
| C36 | C54 | C32 | 120.3° | 120.7° |
| C36 | C54 | H74 | 119.9° | 119.6° |
| C34 | C55 | C56 | 120.2° | 115.8° |
| C34 | C55 | C60 | 119.9° | 123.8° |
| C55 | C56 | C57 | 119.6° | 119.5° |
| C56 | C55 | C60 | 119.8° | 120.4° |
| C55 | C56 | H75 | 120.2° | 120.3° |
| C56 | C57 | C58 | 119.3° | 119.9° |
| C56 | C57 | C18 | 133.6° | 133.4° |
| C57 | C56 | H75 | 120.2° | 120.3° |
| C57 | C58 | C59 | 122.5° | 119.5° |
| C57 | C58 | N8 | 107.5° | 106.9° |
| C58 | C57 | C18 | 107.1° | 106.7° |
| C58 | C59 | C60 | 117.2° | 120.4° |
| C59 | C58 | N8 | 130.0° | 133.7° |
| C58 | C59 | H76 | 121.4° | 119.9° |
| C59 | C60 | C55 | 121.5° | 120.4° |
| C60 | C59 | H76 | 121.4° | 119.7° |
| C59 | C60 | H77 | 119.2° | 119.8° |
| C58 | N8 | C61 | 123.2° | 124.8° |
| C58 | N8 | C17 | 109.3° | 110.3° |
| N8 | C61 | C62 | 106.9° | 109.5° |
| C61 | N8 | C17 | 126.9° | 124.9° |
| N8 | C61 | H78 | 110.1° | 109.5° |
| N8 | C61 | H79 | 110.1° | 109.5° |
| C61 | C62 | F1 | 111.0° | 109.5° |
| C61 | C62 | F2 | 113.1° | 109.5° |
| C61 | C62 | F3 | 110.6° | 109.5° |
| C62 | C61 | H78 | 110.1° | 109.4° |
| C62 | C61 | H79 | 110.1° | 109.5° |
| F1 | C62 | F2 | 107.8° | 109.5° |
| F1 | C62 | F3 | 105.8° | 109.4° |
| F2 | C62 | F3 | 108.1° | 109.5° |
| C9 | C13 | H17 | 108.8° | 109.5° |
| C9 | C13 | H18 | 108.9° | 109.6° |
| C13 | C9 | H10 | 107.5° | 109.5° |
| C16 | C14 | H19 | 116.3° | 117.5° |
| C14 | C16 | H22 | 120.0° | 117.5° |
| C14 | C16 | H23 | 120.0° | 117.5° |
| N4 | C25 | H34 | 109.7° | 110.2° |
| C25 | N4 | H41 | 109.2° | 111.0° |
| N7 | C30 | H42 | 109.9° | 111.2° |
| C30 | N7 | H73 | 118.9° | 120.1° |
| C55 | C60 | H77 | 119.2° | 119.8° |
| C32 | C54 | H74 | 119.9° | 119.7° |
| N5 | C38 | H49 | 111.3° | 109.7° |
| C43 | C46 | H60 | 114.0° | 113.8° |
| C43 | C46 | H61 | 114.0° | 113.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.4° | 109.5° |
| H20 | C15 | H21 | 109.4° | 115.6° |
| H22 | C16 | H23 | 109.5° | 115.6° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.4° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.2° |
| H35 | C26 | H36 | 109.5° | 109.0° |
| H37 | C27 | H38 | 109.5° | 109.2° |
| H39 | C28 | H40 | 109.5° | 109.3° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.4° | 108.7° |
| H47 | C37 | H48 | 109.4° | 109.4° |
| H51 | C40 | H52 | 109.5° | 110.2° |
| H53 | C41 | H54 | 109.5° | 109.9° |
| H55 | C44 | H56 | 109.4° | 109.5° |
| H55 | C44 | H57 | 109.5° | 109.4° |
| H56 | C44 | H57 | 109.5° | 109.5° |
| H58 | C45 | H59 | 109.4° | 113.2° |
| H60 | C46 | H61 | 109.5° | 113.1° |
| H62 | C48 | H63 | 109.4° | 109.5° |
| H62 | C48 | H64 | 109.5° | 109.5° |
| H63 | C48 | H64 | 109.5° | 109.4° |
| H67 | C51 | H68 | 109.5° | 109.5° |
| H67 | C51 | H69 | 109.5° | 109.4° |
| H68 | C51 | H69 | 109.5° | 109.4° |
| H70 | C52 | H71 | 109.4° | 109.5° |
| H70 | C52 | H72 | 109.4° | 109.5° |
| H71 | C52 | H72 | 109.5° | 109.5° |
| H78 | C61 | H79 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 63.9° | 94.5° |
| C1 | O1 | C2 | C4 | 174.8° | 145.5° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 55.0° | 25.5° |
| O1 | C2 | C3 | C4 | 120.1° | 120.0° |
| O1 | C2 | C3 | H4 | 119.7° | 120.0° |
| O1 | C2 | C4 | H4 | 120.6° | 119.9° |
| O1 | C2 | C4 | C5 | 114.4° | 131.0° |
| O1 | C2 | C4 | N1 | 66.7° | 49.3° |
| C2 | O1 | C1 | H1 | 180.0° | 65.0° |
| C2 | O1 | C1 | H2 | 60.0° | 55.0° |
| C2 | O1 | C1 | H3 | 60.0° | 175.1° |
| O1 | C2 | C3 | H5 | 180.0° | 175.1° |
| O1 | C2 | C3 | H6 | 60.0° | 55.0° |
| O1 | C2 | C3 | H7 | 60.0° | 65.0° |
| C3 | C2 | C4 | H4 | 120.3° | 120.0° |
| C3 | C2 | C4 | C5 | 126.4° | 108.9° |
| C3 | C2 | C4 | N1 | 52.4° | 70.8° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C4 | C5 | N1 | 178.8° | 179.7° |
| C2 | C4 | C5 | C6 | 179.8° | 180.0° |
| C2 | C4 | N1 | C8 | 178.4° | 179.8° |
| C2 | C4 | C5 | C17 | 0.8° | 0.1° |
| C4 | C2 | C3 | H5 | 59.9° | 64.9° |
| C4 | C2 | C3 | H6 | 179.9° | 175.0° |
| C4 | C2 | C3 | H7 | 60.1° | 55.1° |
| C4 | C5 | C6 | C17 | 179.5° | 179.9° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C5 | C4 | N1 | C8 | 0.5° | 0.6° |
| C4 | C5 | C17 | C18 | 121.9° | 78.3° |
| C4 | C5 | C17 | N8 | 63.3° | 102.0° |
| C5 | C4 | C2 | H4 | 6.1° | 11.1° |
| C4 | C5 | C6 | H8 | 179.6° | 180.0° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.5° | 0.1° |
| C5 | C6 | C7 | C9 | 176.9° | 180.0° |
| C6 | C5 | C17 | C18 | 58.7° | 101.5° |
| C6 | C5 | C4 | N1 | 0.9° | 0.3° |
| C6 | C5 | C17 | N8 | 116.2° | 78.1° |
| C6 | C7 | C8 | C9 | 175.4° | 179.9° |
| C6 | C7 | C8 | N1 | 3.1° | 0.3° |
| C6 | C7 | C9 | C10 | 161.3° | 119.9° |
| C7 | C6 | C5 | C17 | 179.9° | 180.0° |
| C6 | C7 | C9 | C13 | 75.4° | 120.3° |
| C6 | C7 | C8 | H9 | 176.9° | 180.0° |
| C6 | C7 | C9 | H10 | 42.4° | 0.2° |
| C7 | C8 | N1 | H9 | 180.0° | 179.7° |
| C8 | C7 | C9 | C10 | 23.4° | 60.0° |
| C7 | C8 | N1 | C4 | 2.6° | 0.6° |
| C8 | C7 | C9 | C13 | 99.9° | 59.8° |
| C8 | C7 | C6 | H8 | 178.5° | 180.0° |
| C8 | C7 | C9 | H10 | 142.3° | 179.9° |
| N1 | C8 | C7 | C9 | 178.5° | 179.8° |
| C7 | C9 | C10 | C13 | 124.8° | 120.0° |
| C7 | C9 | C10 | H10 | 118.9° | 120.1° |
| C7 | C9 | C10 | C11 | 179.6° | 177.6° |
| C7 | C9 | C13 | C12 | 179.8° | 177.6° |
| C7 | C9 | C13 | H10 | 117.9° | 120.1° |
| C7 | C9 | C10 | H11 | 60.4° | 62.5° |
| C7 | C9 | C10 | H12 | 59.5° | 57.6° |
| C7 | C9 | C13 | H17 | 59.4° | 57.7° |
| C7 | C9 | C13 | H18 | 59.8° | 62.4° |
| C9 | C7 | C6 | H8 | 3.1° | 0.1° |
| C9 | C7 | C8 | H9 | 1.6° | 0.0° |
| C9 | C10 | C11 | H11 | 120.0° | 119.9° |
| C9 | C10 | C11 | H12 | 120.0° | 120.0° |
| C9 | C10 | C11 | N2 | 60.4° | 59.2° |
| C10 | C9 | C13 | C12 | 54.0° | 57.6° |
| C10 | C9 | C13 | H10 | 116.3° | 119.9° |
| C9 | C10 | H11 | H12 | 119.9° | 120.1° |
| C9 | C10 | C11 | H13 | 179.2° | 179.2° |
| C9 | C10 | C11 | H14 | 60.0° | 60.8° |
| C10 | C9 | C13 | H17 | 66.4° | 62.3° |
| C10 | C9 | C13 | H18 | 174.4° | 177.6° |
| C10 | C11 | N2 | H13 | 120.4° | 120.0° |
| C10 | C11 | N2 | H14 | 120.4° | 120.1° |
| C10 | C11 | N2 | C12 | 60.2° | 61.8° |
| C10 | C11 | N2 | C14 | 178.2° | 174.2° |
| C11 | C10 | C9 | C13 | 55.6° | 57.6° |
| C11 | C10 | H11 | H12 | 120.0° | 120.1° |
| C10 | C11 | H13 | H14 | 118.9° | 120.0° |
| C11 | C10 | C9 | H10 | 60.6° | 62.3° |
| C11 | N2 | C12 | C14 | 121.0° | 124.1° |
| C11 | N2 | C12 | C13 | 56.9° | 61.7° |
| C11 | N2 | C14 | C15 | 163.8° | 180.0° |
| C11 | N2 | C14 | C16 | 95.4° | 111.4° |
| N2 | C11 | C10 | H11 | 59.6° | 179.1° |
| N2 | C11 | C10 | H12 | 179.6° | 60.8° |
| N2 | C11 | H13 | H14 | 118.9° | 119.9° |
| C11 | N2 | C12 | H15 | 177.3° | 58.3° |
| C11 | N2 | C12 | H16 | 63.4° | 178.2° |
| C11 | N2 | C14 | H19 | 50.0° | 34.3° |
| N2 | C12 | C13 | H15 | 120.3° | 120.0° |
| N2 | C12 | C13 | H16 | 120.3° | 120.1° |
| C12 | N2 | C14 | C15 | 75.3° | 55.8° |
| N2 | C12 | C13 | C9 | 55.4° | 59.1° |
| C12 | N2 | C14 | C16 | 143.8° | 124.4° |
| C12 | N2 | C11 | H13 | 179.5° | 178.2° |
| C12 | N2 | C11 | H14 | 60.2° | 58.3° |
| N2 | C12 | H15 | H16 | 119.0° | 120.0° |
| N2 | C12 | C13 | H17 | 64.9° | 60.7° |
| N2 | C12 | C13 | H18 | 175.9° | 179.2° |
| C12 | N2 | C14 | H19 | 70.8° | 89.9° |
| C13 | C12 | N2 | C14 | 177.9° | 174.2° |
| C12 | C13 | C9 | H17 | 120.4° | 119.9° |
| C12 | C13 | C9 | H18 | 120.4° | 120.0° |
| C13 | C12 | H15 | H16 | 118.9° | 119.9° |
| C12 | C13 | H17 | H18 | 118.8° | 120.1° |
| C12 | C13 | C9 | H10 | 62.3° | 62.3° |
| N2 | C14 | C15 | C16 | 107.0° | 107.5° |
| N2 | C14 | C15 | H19 | 146.5° | 145.1° |
| N2 | C14 | C16 | H19 | 145.7° | 145.0° |
| C14 | N2 | C11 | H13 | 57.9° | 54.1° |
| C14 | N2 | C11 | H14 | 61.4° | 65.8° |
| C14 | N2 | C12 | H15 | 61.8° | 65.8° |
| C14 | N2 | C12 | H16 | 57.6° | 54.2° |
| N2 | C14 | C15 | H20 | 143.5° | 145.1° |
| N2 | C14 | C15 | H21 | 2.5° | 0.0° |
| N2 | C14 | C16 | H22 | 142.9° | 0.1° |
| N2 | C14 | C16 | H23 | 1.8° | 145.0° |
| C14 | C15 | C16 | H20 | 109.5° | 107.5° |
| C14 | C15 | C16 | H21 | 109.5° | 107.5° |
| C15 | C14 | C16 | H19 | 106.6° | 107.6° |
| C14 | C15 | H20 | H21 | 144.7° | 145.7° |
| C15 | C14 | C16 | H22 | 109.5° | 107.4° |
| C15 | C14 | C16 | H23 | 109.5° | 107.5° |
| C16 | C15 | H20 | H21 | 144.7° | 145.7° |
| C15 | C16 | H22 | H23 | 144.8° | 145.7° |
| C5 | C17 | C18 | N8 | 175.6° | 179.7° |
| C5 | C17 | C18 | C19 | 4.2° | 0.0° |
| C5 | C17 | N8 | C58 | 173.8° | 179.3° |
| C5 | C17 | N8 | C61 | 2.3° | 0.7° |
| C17 | C5 | C4 | N1 | 179.6° | 179.8° |
| C5 | C17 | C18 | C57 | 175.7° | 179.7° |
| C17 | C5 | C6 | H8 | 0.1° | 0.1° |
| C17 | C18 | C19 | C57 | 179.9° | 179.6° |
| C17 | C18 | C19 | C20 | 91.1° | 89.9° |
| C17 | C18 | C57 | C56 | 179.4° | 179.5° |
| C17 | C18 | C57 | C58 | 1.8° | 0.4° |
| C18 | C17 | N8 | C58 | 1.7° | 0.4° |
| C18 | C17 | N8 | C61 | 173.2° | 179.6° |
| C17 | C18 | C19 | H24 | 30.5° | 30.0° |
| C17 | C18 | C19 | H25 | 147.3° | 150.1° |
| C18 | C19 | C20 | H24 | 121.6° | 120.0° |
| C18 | C19 | C20 | H25 | 121.6° | 120.0° |
| C18 | C19 | C20 | C21 | 58.4° | 51.9° |
| C18 | C19 | C20 | C22 | 176.4° | 67.7° |
| C18 | C19 | C20 | C23 | 64.3° | 172.1° |
| C19 | C18 | C57 | C56 | 0.8° | 0.8° |
| C19 | C18 | C57 | C58 | 178.1° | 179.3° |
| C19 | C18 | C17 | N8 | 179.8° | 179.7° |
| C18 | C19 | H24 | H25 | 114.8° | 120.1° |
| C19 | C20 | C21 | C22 | 117.1° | 119.6° |
| C19 | C20 | C21 | C23 | 123.7° | 120.9° |
| C19 | C20 | C22 | C23 | 120.5° | 120.8° |
| C19 | C20 | C23 | O2 | 68.6° | 46.4° |
| C20 | C19 | C18 | C57 | 89.0° | 89.7° |
| C20 | C19 | H24 | H25 | 114.8° | 120.0° |
| C19 | C20 | C21 | H26 | 180.0° | 60.0° |
| C19 | C20 | C21 | H27 | 60.0° | 180.0° |
| C19 | C20 | C21 | H28 | 60.0° | 60.0° |
| C19 | C20 | C22 | H29 | 180.0° | 60.0° |
| C19 | C20 | C22 | H30 | 60.0° | 180.0° |
| C19 | C20 | C22 | H31 | 60.0° | 60.0° |
| C19 | C20 | C23 | H32 | 51.0° | 166.7° |
| C19 | C20 | C23 | H33 | 171.7° | 73.9° |
| C21 | C20 | C22 | C23 | 119.3° | 119.6° |
| C21 | C20 | C23 | O2 | 167.5° | 73.9° |
| C21 | C20 | C19 | H24 | 63.2° | 171.8° |
| C21 | C20 | C19 | H25 | 180.0° | 68.1° |
| C20 | C21 | H26 | H27 | 120.0° | 120.0° |
| C20 | C21 | H26 | H28 | 120.0° | 119.9° |
| C20 | C21 | H27 | H28 | 120.0° | 119.9° |
| C21 | C20 | C22 | H29 | 59.8° | 179.6° |
| C21 | C20 | C22 | H30 | 60.2° | 60.4° |
| C21 | C20 | C22 | H31 | 179.9° | 59.7° |
| C21 | C20 | C23 | H32 | 72.8° | 46.4° |
| C21 | C20 | C23 | H33 | 47.8° | 165.9° |
| C22 | C20 | C23 | O2 | 49.1° | 166.6° |
| C22 | C20 | C19 | H24 | 54.8° | 52.2° |
| C22 | C20 | C19 | H25 | 62.0° | 172.3° |
| C22 | C20 | C21 | H26 | 62.9° | 59.7° |
| C22 | C20 | C21 | H27 | 177.1° | 60.4° |
| C22 | C20 | C21 | H28 | 57.1° | 179.7° |
| C20 | C22 | H29 | H30 | 120.0° | 120.0° |
| C20 | C22 | H29 | H31 | 120.0° | 120.0° |
| C20 | C22 | H30 | H31 | 120.0° | 120.0° |
| C22 | C20 | C23 | H32 | 168.8° | 73.1° |
| C22 | C20 | C23 | H33 | 70.6° | 46.3° |
| C20 | C23 | O2 | H32 | 119.7° | 120.3° |
| C20 | C23 | O2 | H33 | 119.7° | 120.3° |
| C20 | C23 | O2 | C24 | 178.9° | 96.8° |
| C23 | C20 | C19 | H24 | 174.1° | 67.9° |
| C23 | C20 | C19 | H25 | 57.3° | 52.2° |
| C23 | C20 | C21 | H26 | 56.3° | 179.2° |
| C23 | C20 | C21 | H27 | 63.6° | 59.1° |
| C23 | C20 | C21 | H28 | 176.4° | 60.8° |
| C23 | C20 | C22 | H29 | 59.5° | 60.8° |
| C23 | C20 | C22 | H30 | 179.5° | 59.2° |
| C23 | C20 | C22 | H31 | 60.5° | 179.2° |
| C20 | C23 | H32 | H33 | 120.9° | 119.6° |
| C23 | O2 | C24 | O3 | 7.8° | 10.6° |
| C23 | O2 | C24 | C25 | 171.7° | 169.5° |
| O2 | C23 | H32 | H33 | 120.9° | 119.5° |
| O2 | C24 | O3 | C25 | 179.4° | 180.0° |
| O2 | C24 | C25 | C26 | 60.7° | 97.4° |
| O2 | C24 | C25 | N4 | 177.1° | 142.9° |
| C24 | O2 | C23 | H32 | 61.4° | 23.5° |
| C24 | O2 | C23 | H33 | 59.1° | 142.9° |
| O2 | C24 | C25 | H34 | 58.0° | 22.3° |
| O3 | C24 | C25 | C26 | 118.8° | 82.7° |
| O3 | C24 | C25 | N4 | 3.4° | 37.0° |
| O3 | C24 | C25 | H34 | 122.5° | 157.7° |
| C24 | C25 | C26 | N4 | 119.9° | 119.6° |
| C24 | C25 | C26 | H34 | 118.9° | 119.3° |
| C24 | C25 | C26 | C27 | 172.8° | 173.1° |
| C24 | C25 | N4 | N3 | 175.6° | 178.8° |
| C24 | C25 | N4 | H34 | 118.7° | 120.0° |
| C24 | C25 | C26 | H35 | 52.3° | 52.6° |
| C24 | C25 | C26 | H36 | 66.8° | 66.4° |
| C24 | C25 | N4 | H41 | 55.5° | 55.1° |
| C25 | C26 | C27 | H35 | 120.5° | 120.6° |
| C25 | C26 | C27 | H36 | 120.5° | 120.5° |
| C25 | C26 | C27 | C28 | 48.0° | 1.1° |
| C26 | C25 | N4 | N3 | 55.0° | 59.5° |
| C26 | C25 | N4 | H34 | 120.6° | 120.7° |
| C25 | C26 | H35 | H36 | 118.5° | 119.0° |
| C25 | C26 | C27 | H37 | 168.1° | 119.2° |
| C25 | C26 | C27 | H38 | 72.1° | 121.4° |
| C26 | C25 | N4 | H41 | 65.2° | 64.2° |
| C26 | C27 | C28 | H37 | 120.1° | 120.3° |
| C26 | C27 | C28 | H38 | 120.1° | 120.3° |
| C26 | C27 | C28 | N3 | 46.7° | 48.9° |
| C27 | C26 | C25 | N4 | 52.9° | 53.5° |
| C27 | C26 | C25 | H34 | 68.3° | 67.6° |
| C27 | C26 | H35 | H36 | 118.5° | 118.9° |
| C26 | C27 | H37 | H38 | 119.7° | 119.4° |
| C26 | C27 | C28 | H39 | 73.6° | 169.1° |
| C26 | C27 | C28 | H40 | 167.1° | 71.2° |
| C27 | C28 | N3 | H39 | 120.4° | 120.2° |
| C27 | C28 | N3 | H40 | 120.4° | 120.1° |
| C27 | C28 | N3 | N4 | 53.4° | 46.8° |
| C27 | C28 | N3 | C29 | 126.4° | 131.7° |
| C28 | C27 | C26 | H35 | 72.5° | 121.7° |
| C28 | C27 | C26 | H36 | 168.5° | 119.5° |
| C28 | C27 | H37 | H38 | 119.6° | 119.4° |
| C27 | C28 | H39 | H40 | 118.9° | 119.8° |
| C28 | N3 | N4 | C29 | 179.8° | 178.5° |
| C28 | N3 | C29 | O4 | 1.2° | 21.9° |
| C28 | N3 | C29 | C30 | 179.2° | 158.1° |
| C28 | N3 | N4 | C25 | 56.9° | 8.5° |
| N3 | C28 | C27 | H37 | 166.8° | 71.4° |
| N3 | C28 | C27 | H38 | 73.4° | 169.2° |
| N3 | C28 | H39 | H40 | 118.9° | 119.7° |
| C28 | N3 | N4 | H41 | 63.2° | 115.2° |
| N4 | N3 | C29 | O4 | 178.6° | 156.6° |
| N4 | N3 | C29 | C30 | 0.6° | 23.4° |
| N3 | N4 | C25 | H41 | 120.2° | 123.7° |
| N3 | N4 | C25 | H34 | 65.7° | 61.1° |
| N4 | N3 | C28 | H39 | 66.9° | 167.0° |
| N4 | N3 | C28 | H40 | 173.8° | 73.3° |
| N3 | C29 | O4 | C30 | 178.0° | 180.0° |
| N3 | C29 | C30 | C31 | 82.7° | 65.7° |
| C29 | N3 | N4 | C25 | 122.9° | 173.0° |
| N3 | C29 | C30 | N7 | 156.4° | 177.7° |
| C29 | N3 | C28 | H39 | 113.3° | 11.5° |
| C29 | N3 | C28 | H40 | 6.0° | 108.2° |
| N3 | C29 | C30 | H42 | 34.3° | 55.5° |
| C29 | N3 | N4 | H41 | 117.0° | 63.3° |
| O4 | C29 | C30 | C31 | 95.3° | 114.3° |
| O4 | C29 | C30 | N7 | 25.6° | 2.4° |
| O4 | C29 | C30 | H42 | 147.7° | 124.6° |
| C29 | C30 | C31 | N7 | 122.1° | 117.7° |
| C29 | C30 | C31 | H42 | 117.1° | 120.5° |
| C29 | C30 | C31 | C32 | 151.2° | 158.1° |
| C29 | C30 | N7 | C53 | 116.4° | 119.6° |
| C29 | C30 | N7 | H42 | 121.6° | 121.4° |
| C29 | C30 | C31 | H43 | 88.5° | 81.0° |
| C29 | C30 | C31 | H44 | 30.9° | 37.3° |
| C29 | C30 | N7 | H73 | 63.6° | 60.4° |
| C30 | C31 | C32 | H43 | 120.3° | 120.9° |
| C30 | C31 | C32 | H44 | 120.3° | 120.8° |
| C30 | C31 | C32 | C33 | 119.7° | 117.6° |
| C31 | C30 | N7 | C53 | 125.3° | 123.4° |
| C31 | C30 | N7 | H42 | 120.2° | 121.6° |
| C30 | C31 | C32 | C54 | 58.3° | 63.1° |
| C30 | C31 | H43 | H44 | 119.1° | 118.3° |
| C31 | C30 | N7 | H73 | 54.6° | 56.6° |
| C31 | C32 | C33 | C54 | 178.0° | 179.4° |
| C31 | C32 | C33 | C34 | 178.7° | 177.6° |
| C31 | C32 | C54 | C36 | 178.7° | 177.5° |
| C32 | C31 | C30 | N7 | 86.7° | 84.2° |
| C32 | C31 | C30 | H42 | 34.2° | 37.6° |
| C32 | C31 | H43 | H44 | 119.2° | 118.3° |
| C31 | C32 | C33 | H45 | 1.3° | 2.3° |
| C31 | C32 | C54 | H74 | 1.3° | 2.6° |
| C32 | C33 | C34 | H45 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.1° |
| C33 | C32 | C54 | C36 | 0.7° | 1.8° |
| C32 | C33 | C34 | C55 | 178.7° | 177.8° |
| C33 | C32 | C31 | H43 | 120.0° | 121.5° |
| C33 | C32 | C31 | H44 | 0.6° | 3.2° |
| C33 | C32 | C54 | H74 | 179.3° | 178.0° |
| C33 | C34 | C35 | C55 | 178.5° | 177.7° |
| C33 | C34 | C35 | C36 | 1.3° | 1.7° |
| C33 | C34 | C55 | C56 | 15.2° | 14.8° |
| C33 | C34 | C55 | C60 | 163.3° | 163.7° |
| C34 | C33 | C32 | C54 | 0.7° | 1.7° |
| C33 | C34 | C35 | H46 | 178.7° | 178.2° |
| C34 | C35 | C36 | H46 | 180.0° | 180.0° |
| C34 | C35 | C36 | O5 | 179.2° | 179.1° |
| C34 | C35 | C36 | C54 | 1.3° | 1.6° |
| C35 | C34 | C55 | C56 | 166.4° | 163.0° |
| C35 | C34 | C55 | C60 | 15.1° | 18.5° |
| C35 | C34 | C33 | H45 | 179.7° | 179.9° |
| C35 | C36 | O5 | C54 | 179.6° | 179.3° |
| C35 | C36 | O5 | C37 | 87.9° | 83.6° |
| C36 | C35 | C34 | C55 | 179.7° | 176.0° |
| C35 | C36 | C54 | C32 | 0.3° | 0.2° |
| C35 | C36 | C54 | H74 | 179.7° | 179.7° |
| C36 | O5 | C37 | C38 | 79.3° | 86.6° |
| O5 | C36 | C54 | C32 | 179.8° | 179.1° |
| O5 | C36 | C35 | H46 | 0.8° | 0.9° |
| C36 | O5 | C37 | H47 | 40.6° | 33.4° |
| C36 | O5 | C37 | H48 | 160.8° | 153.3° |
| O5 | C36 | C54 | H74 | 0.2° | 1.0° |
| O5 | C37 | C38 | H47 | 119.9° | 120.0° |
| O5 | C37 | C38 | H48 | 119.9° | 120.1° |
| O5 | C37 | C38 | C39 | 64.2° | 155.6° |
| C37 | O5 | C36 | C54 | 91.7° | 97.1° |
| O5 | C37 | C38 | N5 | 176.8° | 85.2° |
| O5 | C37 | H47 | H48 | 120.3° | 119.9° |
| O5 | C37 | C38 | H49 | 59.4° | 35.5° |
| C37 | C38 | C39 | N5 | 118.1° | 120.5° |
| C37 | C38 | C39 | H49 | 123.9° | 120.2° |
| C37 | C38 | C39 | C40 | 121.5° | 114.3° |
| C37 | C38 | N5 | C41 | 96.2° | 104.6° |
| C37 | C38 | N5 | C42 | 83.8° | 75.4° |
| C37 | C38 | C39 | C47 | 118.3° | 126.8° |
| C37 | C38 | N5 | H49 | 123.5° | 120.5° |
| C38 | C37 | H47 | H48 | 120.4° | 119.9° |
| C37 | C38 | C39 | H50 | 2.8° | 5.5° |
| C38 | C39 | C40 | C47 | 119.0° | 118.2° |
| C38 | C39 | C40 | H50 | 118.4° | 119.6° |
| C38 | C39 | C40 | C41 | 27.4° | 5.3° |
| C39 | C38 | N5 | C41 | 23.3° | 16.0° |
| C39 | C38 | N5 | C42 | 156.7° | 164.0° |
| C38 | C39 | C47 | H50 | 120.7° | 121.3° |
| C38 | C39 | C47 | O8 | 47.2° | 149.4° |
| C38 | C39 | C47 | N6 | 132.6° | 30.7° |
| C39 | C38 | N5 | H49 | 117.0° | 118.9° |
| C39 | C38 | C37 | H47 | 175.9° | 35.6° |
| C39 | C38 | C37 | H48 | 55.7° | 84.3° |
| C38 | C39 | C40 | H51 | 146.4° | 124.4° |
| C38 | C39 | C40 | H52 | 91.6° | 113.8° |
| C39 | C40 | C41 | H51 | 119.0° | 119.1° |
| C39 | C40 | C41 | H52 | 119.0° | 119.1° |
| C39 | C40 | C41 | N5 | 40.1° | 14.9° |
| C40 | C39 | C47 | H50 | 122.4° | 122.4° |
| C40 | C39 | C47 | O8 | 69.7° | 94.3° |
| C40 | C39 | C47 | N6 | 110.5° | 85.6° |
| C40 | C39 | C38 | N5 | 3.4° | 6.2° |
| C40 | C39 | C38 | H49 | 114.5° | 125.4° |
| C39 | C40 | H51 | H52 | 122.9° | 121.8° |
| C39 | C40 | C41 | H53 | 78.4° | 104.6° |
| C39 | C40 | C41 | H54 | 158.7° | 134.4° |
| C40 | C41 | N5 | H53 | 118.6° | 119.5° |
| C40 | C41 | N5 | H54 | 118.6° | 119.5° |
| C40 | C41 | N5 | C42 | 139.0° | 160.6° |
| C41 | C40 | C39 | C47 | 146.4° | 123.5° |
| C40 | C41 | N5 | C38 | 41.0° | 19.4° |
| C41 | C40 | C39 | H50 | 91.0° | 114.3° |
| C41 | C40 | H51 | H52 | 122.9° | 121.8° |
| C40 | C41 | H53 | H54 | 124.1° | 121.1° |
| C41 | N5 | C42 | C38 | 179.9° | 180.0° |
| C41 | N5 | C42 | O6 | 168.7° | 180.0° |
| C41 | N5 | C42 | C43 | 9.5° | 0.0° |
| C41 | N5 | C38 | H49 | 140.3° | 134.9° |
| N5 | C41 | C40 | H51 | 159.1° | 134.0° |
| N5 | C41 | C40 | H52 | 78.8° | 104.2° |
| N5 | C41 | H53 | H54 | 124.1° | 120.9° |
| N5 | C42 | O6 | C43 | 178.4° | 180.0° |
| N5 | C42 | C43 | C44 | 84.5° | 50.4° |
| N5 | C42 | C43 | C45 | 51.2° | 177.9° |
| N5 | C42 | C43 | C46 | 146.5° | 81.5° |
| C42 | N5 | C38 | H49 | 39.6° | 45.1° |
| C42 | N5 | C41 | H53 | 102.5° | 79.9° |
| C42 | N5 | C41 | H54 | 20.4° | 41.1° |
| O6 | C42 | C43 | C44 | 97.2° | 129.6° |
| O6 | C42 | C43 | C45 | 127.1° | 2.1° |
| O6 | C42 | N5 | C38 | 11.3° | 0.0° |
| O6 | C42 | C43 | C46 | 31.8° | 98.5° |
| C42 | C43 | C44 | C45 | 137.6° | 131.8° |
| C42 | C43 | C44 | C46 | 125.7° | 131.9° |
| C42 | C43 | C45 | C46 | 110.4° | 114.3° |
| C42 | C43 | C45 | O7 | 124.3° | 91.7° |
| C42 | C43 | C46 | O7 | 133.2° | 91.7° |
| C43 | C42 | N5 | C38 | 170.4° | 180.0° |
| C42 | C43 | C44 | H55 | 180.0° | 60.0° |
| C42 | C43 | C44 | H56 | 60.0° | 180.0° |
| C42 | C43 | C44 | H57 | 60.0° | 59.9° |
| C42 | C43 | C45 | H58 | 7.8° | 22.4° |
| C42 | C43 | C45 | H59 | 119.1° | 154.2° |
| C42 | C43 | C46 | H60 | 16.6° | 154.2° |
| C42 | C43 | C46 | H61 | 110.1° | 22.6° |
| C44 | C43 | C45 | C46 | 116.5° | 114.3° |
| C44 | C43 | C45 | O7 | 102.6° | 136.9° |
| C44 | C43 | C46 | O7 | 101.7° | 136.8° |
| C43 | C44 | H55 | H56 | 120.0° | 120.1° |
| C43 | C44 | H55 | H57 | 120.0° | 119.9° |
| C43 | C44 | H56 | H57 | 120.0° | 120.0° |
| C44 | C43 | C45 | H58 | 140.9° | 109.0° |
| C44 | C43 | C45 | H59 | 13.9° | 22.8° |
| C44 | C43 | C46 | H60 | 141.6° | 22.8° |
| C44 | C43 | C46 | H61 | 14.9° | 108.9° |
| C43 | C45 | O7 | H58 | 116.5° | 114.1° |
| C43 | C45 | O7 | H59 | 116.5° | 114.1° |
| C45 | C43 | C46 | O7 | 13.9° | 22.6° |
| C45 | C43 | C44 | H55 | 42.4° | 168.2° |
| C45 | C43 | C44 | H56 | 77.6° | 48.2° |
| C45 | C43 | C44 | H57 | 162.4° | 71.8° |
| C43 | C45 | H58 | H59 | 129.4° | 132.1° |
| C45 | C43 | C46 | H60 | 102.7° | 91.5° |
| C45 | C43 | C46 | H61 | 130.6° | 136.9° |
| O7 | C45 | H58 | H59 | 129.4° | 132.1° |
| C45 | O7 | C46 | H60 | 101.8° | 89.9° |
| C45 | O7 | C46 | H61 | 131.6° | 138.3° |
| O7 | C46 | C43 | H60 | 116.6° | 114.0° |
| O7 | C46 | C43 | H61 | 116.6° | 114.3° |
| C46 | O7 | C45 | H58 | 101.8° | 138.3° |
| C46 | O7 | C45 | H59 | 131.3° | 90.0° |
| O7 | C46 | H60 | H61 | 129.0° | 132.4° |
| C39 | C47 | O8 | N6 | 179.7° | 179.9° |
| C39 | C47 | N6 | C48 | 1.1° | 67.5° |
| C39 | C47 | N6 | C49 | 178.8° | 112.6° |
| C47 | C39 | C38 | N5 | 123.6° | 112.7° |
| C47 | C39 | C38 | H49 | 5.7° | 6.6° |
| C47 | C39 | C40 | H51 | 94.6° | 117.4° |
| C47 | C39 | C40 | H52 | 27.4° | 4.4° |
| O8 | C47 | N6 | C48 | 178.6° | 112.4° |
| O8 | C47 | N6 | C49 | 0.9° | 67.5° |
| O8 | C47 | C39 | H50 | 167.8° | 28.2° |
| C47 | N6 | C48 | C49 | 177.7° | 180.0° |
| C47 | N6 | C49 | C50 | 141.7° | 29.0° |
| C47 | N6 | C49 | C53 | 93.1° | 148.8° |
| N6 | C47 | C39 | H50 | 11.9° | 152.0° |
| C47 | N6 | C48 | H62 | 180.0° | 29.7° |
| C47 | N6 | C48 | H63 | 60.0° | 149.8° |
| C47 | N6 | C48 | H64 | 60.0° | 90.3° |
| C47 | N6 | C49 | H65 | 21.8° | 91.3° |
| C48 | N6 | C49 | C50 | 40.5° | 151.0° |
| C48 | N6 | C49 | C53 | 84.7° | 31.2° |
| N6 | C48 | H62 | H63 | 120.0° | 120.0° |
| N6 | C48 | H62 | H64 | 120.0° | 120.0° |
| N6 | C48 | H63 | H64 | 120.0° | 120.0° |
| C48 | N6 | C49 | H65 | 160.4° | 88.7° |
| N6 | C49 | C50 | C53 | 121.1° | 119.3° |
| N6 | C49 | C50 | H65 | 120.6° | 120.4° |
| N6 | C49 | C50 | C51 | 55.3° | 82.1° |
| N6 | C49 | C50 | C52 | 176.9° | 37.9° |
| N6 | C49 | C53 | H65 | 115.5° | 119.9° |
| N6 | C49 | C53 | O9 | 68.4° | 16.5° |
| N6 | C49 | C53 | N7 | 105.5° | 163.4° |
| C49 | N6 | C48 | H62 | 2.3° | 150.2° |
| C49 | N6 | C48 | H63 | 122.3° | 30.2° |
| C49 | N6 | C48 | H64 | 117.7° | 89.7° |
| N6 | C49 | C50 | H66 | 64.6° | 157.9° |
| C49 | C50 | C51 | C52 | 121.2° | 120.0° |
| C49 | C50 | C51 | H66 | 119.7° | 120.0° |
| C49 | C50 | C52 | H66 | 118.3° | 120.0° |
| C50 | C49 | C53 | H65 | 118.1° | 120.3° |
| C50 | C49 | C53 | O9 | 58.0° | 136.3° |
| C50 | C49 | C53 | N7 | 128.1° | 43.6° |
| C49 | C50 | C51 | H67 | 180.0° | 71.6° |
| C49 | C50 | C51 | H68 | 60.0° | 168.3° |
| C49 | C50 | C51 | H69 | 60.0° | 48.3° |
| C49 | C50 | C52 | H70 | 180.0° | 63.4° |
| C49 | C50 | C52 | H71 | 60.0° | 176.6° |
| C49 | C50 | C52 | H72 | 60.0° | 56.6° |
| C51 | C50 | C52 | H66 | 119.1° | 120.0° |
| C51 | C50 | C49 | C53 | 176.4° | 158.6° |
| C51 | C50 | C49 | H65 | 65.3° | 38.3° |
| C50 | C51 | H67 | H68 | 120.0° | 120.1° |
| C50 | C51 | H67 | H69 | 120.0° | 120.0° |
| C50 | C51 | H68 | H69 | 120.0° | 120.0° |
| C51 | C50 | C52 | H70 | 57.4° | 176.6° |
| C51 | C50 | C52 | H71 | 177.4° | 56.5° |
| C51 | C50 | C52 | H72 | 62.6° | 63.4° |
| C52 | C50 | C49 | C53 | 62.0° | 81.4° |
| C52 | C50 | C49 | H65 | 56.3° | 158.3° |
| C52 | C50 | C51 | H67 | 58.8° | 48.4° |
| C52 | C50 | C51 | H68 | 61.2° | 71.6° |
| C52 | C50 | C51 | H69 | 178.8° | 168.4° |
| C50 | C52 | H70 | H71 | 120.0° | 120.0° |
| C50 | C52 | H70 | H72 | 120.0° | 119.9° |
| C50 | C52 | H71 | H72 | 120.0° | 120.0° |
| C49 | C53 | O9 | N7 | 173.5° | 179.9° |
| C49 | C53 | N7 | C30 | 171.5° | 2.6° |
| C53 | C49 | C50 | H66 | 56.5° | 38.6° |
| C49 | C53 | N7 | H73 | 8.5° | 177.4° |
| O9 | C53 | N7 | C30 | 2.2° | 177.5° |
| O9 | C53 | C49 | H65 | 176.1° | 103.4° |
| O9 | C53 | N7 | H73 | 177.8° | 2.6° |
| C53 | N7 | C30 | H73 | 180.0° | 180.0° |
| C53 | N7 | C30 | H42 | 5.1° | 1.8° |
| N7 | C53 | C49 | H65 | 10.0° | 76.7° |
| C36 | C54 | C32 | H74 | 180.0° | 179.9° |
| C54 | C36 | C35 | H46 | 178.7° | 178.4° |
| C34 | C55 | C56 | C60 | 178.5° | 178.5° |
| C34 | C55 | C56 | C57 | 179.2° | 179.1° |
| C34 | C55 | C60 | C59 | 179.4° | 179.5° |
| C55 | C34 | C33 | H45 | 1.3° | 2.2° |
| C55 | C34 | C35 | H46 | 0.3° | 4.0° |
| C34 | C55 | C56 | H75 | 0.8° | 0.9° |
| C34 | C55 | C60 | H77 | 0.6° | 0.5° |
| C55 | C56 | C57 | H75 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.6° | 2.2° |
| C56 | C55 | C60 | C59 | 0.9° | 1.1° |
| C55 | C56 | C57 | C18 | 179.3° | 177.9° |
| C56 | C55 | C60 | H77 | 179.1° | 178.9° |
| C56 | C57 | C58 | C18 | 179.0° | 179.9° |
| C56 | C57 | C58 | C59 | 0.6° | 0.8° |
| C56 | C57 | C58 | N8 | 178.1° | 179.3° |
| C57 | C56 | C55 | C60 | 0.7° | 2.4° |
| C57 | C58 | C59 | N8 | 176.9° | 179.8° |
| C57 | C58 | C59 | C60 | 0.8° | 0.5° |
| C57 | C58 | N8 | C61 | 174.7° | 179.3° |
| C57 | C58 | N8 | C17 | 2.9° | 0.6° |
| C58 | C57 | C56 | H75 | 179.5° | 177.8° |
| C57 | C58 | C59 | H76 | 179.2° | 179.5° |
| C58 | C59 | C60 | H76 | 180.0° | 180.0° |
| C59 | C58 | N8 | C61 | 8.0° | 0.8° |
| C59 | C58 | N8 | C17 | 179.9° | 179.2° |
| C59 | C58 | C57 | C18 | 179.6° | 179.3° |
| C58 | C59 | C60 | C55 | 0.9° | 0.4° |
| C58 | C59 | C60 | H77 | 179.1° | 179.6° |
| C60 | C59 | C58 | N8 | 177.7° | 179.3° |
| C59 | C60 | C55 | H77 | 180.0° | 180.0° |
| C58 | N8 | C61 | C17 | 170.4° | 179.9° |
| C58 | N8 | C61 | C62 | 81.3° | 85.5° |
| N8 | C58 | C57 | C18 | 2.9° | 0.6° |
| N8 | C58 | C59 | H76 | 2.3° | 0.7° |
| C58 | N8 | C61 | H78 | 159.1° | 154.5° |
| C58 | N8 | C61 | H79 | 38.3° | 34.5° |
| N8 | C61 | C62 | H78 | 119.6° | 120.0° |
| N8 | C61 | C62 | H79 | 119.6° | 120.1° |
| N8 | C61 | C62 | F1 | 58.3° | 64.9° |
| N8 | C61 | C62 | F2 | 179.6° | 175.1° |
| N8 | C61 | C62 | F3 | 59.0° | 55.1° |
| N8 | C61 | H78 | H79 | 121.2° | 120.0° |
| C61 | C62 | F1 | F2 | 124.4° | 120.0° |
| C61 | C62 | F1 | F3 | 120.1° | 120.0° |
| C61 | C62 | F2 | F3 | 122.9° | 120.0° |
| C62 | C61 | N8 | C17 | 89.1° | 94.5° |
| C62 | C61 | H78 | H79 | 121.2° | 120.0° |
| F1 | C62 | F2 | F3 | 114.0° | 120.0° |
| F1 | C62 | C61 | H78 | 61.3° | 175.2° |
| F1 | C62 | C61 | H79 | 177.9° | 55.2° |
| F2 | C62 | C61 | H78 | 60.0° | 55.2° |
| F2 | C62 | C61 | H79 | 60.8° | 64.8° |
| F3 | C62 | C61 | H78 | 178.6° | 64.9° |
| F3 | C62 | C61 | H79 | 60.6° | 175.2° |
| N1 | C4 | C2 | H4 | 172.8° | 169.2° |
| C4 | N1 | C8 | H9 | 177.4° | 179.7° |
| C13 | C9 | C10 | H11 | 64.4° | 177.6° |
| C13 | C9 | C10 | H12 | 175.7° | 62.4° |
| C9 | C13 | C12 | H15 | 175.8° | 60.9° |
| C9 | C13 | C12 | H16 | 64.9° | 179.2° |
| C9 | C13 | H17 | H18 | 118.8° | 120.2° |
| C14 | C16 | H22 | H23 | 144.7° | 145.8° |
| N8 | C17 | C18 | C57 | 0.1° | 0.0° |
| C17 | N8 | C61 | H78 | 30.5° | 25.4° |
| C17 | N8 | C61 | H79 | 151.3° | 145.4° |
| C57 | C18 | C19 | H24 | 149.4° | 150.4° |
| C57 | C18 | C19 | H25 | 32.6° | 30.3° |
| C18 | C57 | C56 | H75 | 0.8° | 2.1° |
| N4 | C25 | C26 | H35 | 67.6° | 67.0° |
| N4 | C25 | C26 | H36 | 173.4° | 174.0° |
| N7 | C30 | C31 | H43 | 33.6° | 36.7° |
| N7 | C30 | C31 | H44 | 153.0° | 155.0° |
| C60 | C55 | C56 | H75 | 179.3° | 177.7° |
| C55 | C60 | C59 | H76 | 179.1° | 179.6° |
| C54 | C32 | C31 | H43 | 62.0° | 57.9° |
| C54 | C32 | C31 | H44 | 178.6° | 176.1° |
| C54 | C32 | C33 | H45 | 179.3° | 178.3° |
| N5 | C38 | C37 | H47 | 63.3° | 154.8° |
| N5 | C38 | C37 | H48 | 56.9° | 34.9° |
| N5 | C38 | C39 | H50 | 115.2° | 126.0° |
| C38 | N5 | C41 | H53 | 77.6° | 100.1° |
| C38 | N5 | C41 | H54 | 159.6° | 138.9° |
| C46 | C43 | C44 | H55 | 54.3° | 71.9° |
| C46 | C43 | C44 | H56 | 174.3° | 48.1° |
| C46 | C43 | C44 | H57 | 65.7° | 168.2° |
| C46 | C43 | C45 | H58 | 102.6° | 136.7° |
| C46 | C43 | C45 | H59 | 130.4° | 91.5° |
| C43 | C46 | H60 | H61 | 129.1° | 132.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H11 | C10 | C11 | H13 | 60.8° | 60.9° |
| H11 | C10 | C11 | H14 | 180.0° | 59.1° |
| H11 | C10 | C9 | H10 | 179.4° | 57.6° |
| H12 | C10 | C11 | H13 | 59.2° | 59.2° |
| H12 | C10 | C11 | H14 | 60.1° | 179.2° |
| H12 | C10 | C9 | H10 | 59.4° | 177.7° |
| H15 | C12 | C13 | H17 | 55.4° | 179.2° |
| H15 | C12 | C13 | H18 | 63.8° | 59.1° |
| H16 | C12 | C13 | H17 | 174.7° | 59.3° |
| H16 | C12 | C13 | H18 | 55.5° | 60.8° |
| H17 | C13 | C9 | H10 | 177.3° | 177.8° |
| H18 | C13 | C9 | H10 | 58.1° | 57.6° |
| H19 | C14 | C15 | H20 | 2.9° | 0.0° |
| H19 | C14 | C15 | H21 | 143.9° | 145.0° |
| H19 | C14 | C16 | H22 | 2.8° | 145.0° |
| H19 | C14 | C16 | H23 | 143.9° | 0.0° |
| H20 | C15 | C16 | H22 | 0.1° | 145.0° |
| H20 | C15 | C16 | H23 | 141.1° | 0.0° |
| H21 | C15 | C16 | H22 | 141.1° | 0.0° |
| H21 | C15 | C16 | H23 | 0.1° | 145.0° |
| H4 | C2 | C3 | H5 | 60.3° | 55.1° |
| H4 | C2 | C3 | H6 | 59.7° | 65.0° |
| H4 | C2 | C3 | H7 | 179.6° | 175.0° |
| H26 | C21 | H27 | H28 | 120.0° | 120.1° |
| H29 | C22 | H30 | H31 | 120.0° | 120.0° |
| H34 | C25 | C26 | H35 | 171.2° | 171.9° |
| H34 | C25 | C26 | H36 | 52.1° | 53.0° |
| H34 | C25 | N4 | H41 | 174.2° | 175.1° |
| H35 | C26 | C27 | H37 | 47.6° | 1.4° |
| H35 | C26 | C27 | H38 | 167.4° | 118.0° |
| H36 | C26 | C27 | H37 | 71.4° | 120.2° |
| H36 | C26 | C27 | H38 | 48.4° | 0.9° |
| H37 | C27 | C28 | H39 | 46.5° | 48.8° |
| H37 | C27 | C28 | H40 | 72.8° | 168.5° |
| H38 | C27 | C28 | H39 | 166.2° | 70.6° |
| H38 | C27 | C28 | H40 | 46.9° | 49.1° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| H42 | C30 | C31 | H43 | 154.5° | 158.5° |
| H42 | C30 | C31 | H44 | 86.1° | 83.2° |
| H42 | C30 | N7 | H73 | 174.8° | 178.2° |
| H47 | C37 | C38 | H49 | 60.5° | 84.5° |
| H48 | C37 | C38 | H49 | 179.2° | 155.6° |
| H49 | C38 | C39 | H50 | 126.8° | 114.7° |
| H50 | C39 | C40 | H51 | 28.0° | 4.8° |
| H50 | C39 | C40 | H52 | 150.0° | 126.6° |
| H51 | C40 | C41 | H53 | 40.6° | 14.5° |
| H51 | C40 | C41 | H54 | 82.3° | 106.5° |
| H52 | C40 | C41 | H53 | 162.6° | 136.3° |
| H52 | C40 | C41 | H54 | 39.8° | 15.3° |
| H55 | C44 | H56 | H57 | 120.0° | 120.0° |
| H62 | C48 | H63 | H64 | 120.0° | 120.0° |
| H65 | C49 | C50 | H66 | 174.8° | 81.7° |
| H66 | C50 | C51 | H67 | 60.3° | 168.4° |
| H66 | C50 | C51 | H68 | 179.7° | 48.3° |
| H66 | C50 | C51 | H69 | 59.7° | 71.7° |
| H66 | C50 | C52 | H70 | 61.7° | 56.6° |
| H66 | C50 | C52 | H71 | 58.3° | 63.4° |
| H66 | C50 | C52 | H72 | 178.3° | 176.6° |
| H67 | C51 | H68 | H69 | 120.0° | 119.9° |
| H70 | C52 | H71 | H72 | 120.0° | 120.0° |
| H76 | C59 | C60 | H77 | 0.9° | 0.4° |
