A1A1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C41 | sing | 1.74Å | 1.73Å | |
| C42 | C41 | doub | 1.38Å | 1.36Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.39Å | 1.41Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| O5 | C39 | doub | 1.22Å | 1.23Å | |
| C40 | C39 | sing | 1.47Å | 1.47Å | |
| C40 | C45 | doub | 1.40Å | 1.41Å | Aromatic |
| C39 | N8 | sing | 1.34Å | 1.38Å | |
| C44 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | N7 | sing | 1.39Å | 1.41Å | |
| N8 | C38 | doub | 1.31Å | 1.33Å | |
| N7 | C38 | sing | 1.35Å | 1.37Å | |
| N7 | C36 | sing | 1.40Å | 1.43Å | |
| C38 | C46 | sing | 1.51Å | 1.49Å | |
| C36 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C47 | sing | 1.52Å | 1.55Å | |
| C46 | C35 | sing | 1.51Å | 1.53Å | |
| C46 | C51 | sing | 1.53Å | 1.54Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C52 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C49 | C50 | sing | 1.53Å | 1.51Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C53 | N6 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C28 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C27 | C54 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C24 | C55 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.49Å | |
| N9 | C23 | sing | 1.34Å | 1.35Å | Aromatic |
| N9 | N10 | doub | 1.29Å | 1.32Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| N10 | N5 | sing | 1.29Å | 1.34Å | Aromatic |
| C22 | N5 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | C21 | sing | 1.47Å | 1.46Å | |
| C58 | C56 | sing | 1.53Å | 1.53Å | |
| C59 | C56 | sing | 1.53Å | 1.53Å | |
| C21 | C56 | sing | 1.53Å | 1.57Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C20 | O4 | doub | 1.21Å | 1.22Å | |
| C20 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| N4 | C16 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.55Å | 1.52Å | |
| O3 | C18 | sing | 1.43Å | 1.42Å | |
| O1 | C12 | sing | 1.43Å | 1.43Å | |
| O1 | C13 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.55Å | 1.52Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | O2 | doub | 1.21Å | 1.23Å | |
| N3 | C9 | sing | 1.46Å | 1.46Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C60 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C60 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C61 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C4 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| S1 | C3 | sing | 1.71Å | 1.70Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | N1 | doub | 1.29Å | 1.30Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| O3 | H24 | sing | 0.97Å | 0.95Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| C37 | H45 | sing | 1.08Å | 1.08Å | |
| C42 | H46 | sing | 1.08Å | 1.08Å | |
| C43 | H47 | sing | 1.08Å | 1.08Å | |
| C44 | H48 | sing | 1.08Å | 1.08Å | |
| C47 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H50 | sing | 1.09Å | 1.10Å | |
| C48 | H51 | sing | 1.09Å | 1.10Å | |
| C48 | H52 | sing | 1.09Å | 1.10Å | |
| C49 | H53 | sing | 1.09Å | 1.10Å | |
| C49 | H54 | sing | 1.09Å | 1.10Å | |
| C50 | H55 | sing | 1.09Å | 1.10Å | |
| C50 | H56 | sing | 1.09Å | 1.10Å | |
| C51 | H57 | sing | 1.09Å | 1.10Å | |
| C51 | H58 | sing | 1.09Å | 1.10Å | |
| C52 | H59 | sing | 1.09Å | 1.10Å | |
| C52 | H60 | sing | 1.09Å | 1.10Å | |
| C53 | H61 | sing | 1.09Å | 1.10Å | |
| C53 | H62 | sing | 1.09Å | 1.10Å | |
| C54 | H63 | sing | 1.09Å | 1.10Å | |
| C54 | H64 | sing | 1.09Å | 1.10Å | |
| C55 | H65 | sing | 1.09Å | 1.10Å | |
| C55 | H66 | sing | 1.09Å | 1.10Å | |
| C57 | H67 | sing | 1.09Å | 1.10Å | |
| C57 | H68 | sing | 1.09Å | 1.10Å | |
| C57 | H69 | sing | 1.09Å | 1.10Å | |
| C58 | H70 | sing | 1.09Å | 1.10Å | |
| C58 | H71 | sing | 1.09Å | 1.10Å | |
| C58 | H72 | sing | 1.09Å | 1.10Å | |
| C59 | H73 | sing | 1.09Å | 1.10Å | |
| C59 | H74 | sing | 1.09Å | 1.10Å | |
| C59 | H75 | sing | 1.09Å | 1.10Å | |
| C60 | H76 | sing | 1.08Å | 1.08Å | |
| C61 | H77 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C41 | C42 | 112.9° | 120.3° |
| CL1 | C41 | C40 | 125.4° | 120.3° |
| C41 | C42 | C43 | 119.5° | 120.5° |
| C42 | C41 | C40 | 121.7° | 119.3° |
| C41 | C42 | H46 | 120.3° | 119.7° |
| C42 | C43 | C44 | 120.4° | 120.7° |
| C43 | C42 | H46 | 120.3° | 119.8° |
| C42 | C43 | H47 | 119.8° | 119.6° |
| C41 | C40 | C39 | 124.0° | 122.1° |
| C41 | C40 | C45 | 118.5° | 120.1° |
| C43 | C44 | C45 | 120.9° | 119.6° |
| C44 | C43 | H47 | 119.8° | 119.7° |
| C43 | C44 | H48 | 119.5° | 120.2° |
| O5 | C39 | C40 | 119.9° | 121.0° |
| O5 | C39 | N8 | 119.9° | 121.1° |
| C39 | C40 | C45 | 117.6° | 117.8° |
| C40 | C39 | N8 | 120.1° | 117.9° |
| C40 | C45 | C44 | 119.0° | 119.7° |
| C40 | C45 | N7 | 119.1° | 119.0° |
| C39 | N8 | C38 | 119.7° | 122.4° |
| C44 | C45 | N7 | 121.9° | 121.3° |
| C45 | C44 | H48 | 119.6° | 120.2° |
| C45 | N7 | C38 | 119.5° | 119.8° |
| C45 | N7 | C36 | 130.2° | 128.5° |
| N8 | C38 | N7 | 124.1° | 123.2° |
| N8 | C38 | C46 | 125.5° | 129.8° |
| C38 | N7 | C36 | 110.3° | 111.7° |
| N7 | C38 | C46 | 110.4° | 107.0° |
| N7 | C36 | C37 | 132.7° | 130.3° |
| N7 | C36 | C35 | 107.8° | 110.6° |
| C38 | C46 | C47 | 106.3° | 110.1° |
| C38 | C46 | C35 | 101.4° | 104.6° |
| C38 | C46 | C51 | 114.0° | 110.2° |
| C37 | C36 | C35 | 119.3° | 119.1° |
| C36 | C37 | C32 | 120.6° | 120.1° |
| C36 | C37 | H45 | 119.7° | 119.9° |
| C36 | C35 | C46 | 110.1° | 106.1° |
| C36 | C35 | C34 | 120.7° | 120.7° |
| C37 | C32 | C31 | 122.8° | 119.8° |
| C37 | C32 | C33 | 118.8° | 120.3° |
| C32 | C37 | H45 | 119.7° | 120.0° |
| C47 | C46 | C35 | 113.4° | 110.3° |
| C47 | C46 | C51 | 113.9° | 110.6° |
| C46 | C47 | C48 | 115.7° | 109.5° |
| C46 | C47 | H49 | 107.9° | 109.5° |
| C46 | C47 | H50 | 107.9° | 109.5° |
| C35 | C46 | C51 | 107.3° | 110.9° |
| C46 | C35 | C34 | 129.2° | 133.2° |
| C46 | C51 | C50 | 114.4° | 109.5° |
| C46 | C51 | H57 | 108.2° | 109.4° |
| C46 | C51 | H58 | 108.3° | 109.5° |
| C47 | C48 | C49 | 110.9° | 109.4° |
| C48 | C47 | H49 | 107.9° | 109.4° |
| C48 | C47 | H50 | 107.9° | 109.5° |
| C47 | C48 | H51 | 109.1° | 109.5° |
| C47 | C48 | H52 | 109.1° | 109.5° |
| C35 | C34 | C33 | 119.3° | 119.9° |
| C35 | C34 | H44 | 120.4° | 120.0° |
| C51 | C50 | C49 | 109.8° | 109.4° |
| C51 | C50 | H55 | 109.4° | 109.5° |
| C51 | C50 | H56 | 109.4° | 109.5° |
| C50 | C51 | H57 | 108.2° | 109.5° |
| C50 | C51 | H58 | 108.2° | 109.5° |
| C31 | C32 | C33 | 118.4° | 119.8° |
| C32 | C31 | C52 | 110.1° | 109.5° |
| C32 | C31 | C30 | 114.5° | 109.5° |
| C32 | C31 | H42 | 107.6° | 109.6° |
| C32 | C33 | C34 | 121.3° | 119.9° |
| C32 | C33 | H43 | 119.4° | 120.1° |
| C52 | C31 | C30 | 109.6° | 109.1° |
| C31 | C52 | C53 | 109.5° | 109.3° |
| C52 | C31 | H42 | 107.5° | 109.5° |
| C31 | C52 | H59 | 109.5° | 109.5° |
| C31 | C52 | H60 | 109.5° | 109.5° |
| C31 | C30 | C29 | 112.4° | 109.3° |
| C31 | C30 | H40 | 108.7° | 109.5° |
| C31 | C30 | H41 | 108.7° | 109.5° |
| C30 | C31 | H42 | 107.3° | 109.5° |
| C48 | C49 | C50 | 109.3° | 109.5° |
| C49 | C48 | H51 | 109.1° | 109.5° |
| C49 | C48 | H52 | 109.1° | 109.5° |
| C48 | C49 | H53 | 109.5° | 109.5° |
| C48 | C49 | H54 | 109.5° | 109.5° |
| C34 | C33 | H43 | 119.4° | 120.0° |
| C33 | C34 | H44 | 120.3° | 120.1° |
| C50 | C49 | H53 | 109.5° | 109.4° |
| C50 | C49 | H54 | 109.5° | 109.5° |
| C49 | C50 | H55 | 109.4° | 109.4° |
| C49 | C50 | H56 | 109.4° | 109.5° |
| C52 | C53 | N6 | 111.0° | 109.5° |
| C53 | C52 | H59 | 109.4° | 109.5° |
| C53 | C52 | H60 | 109.5° | 109.5° |
| C52 | C53 | H61 | 109.1° | 109.5° |
| C52 | C53 | H62 | 109.1° | 109.5° |
| C53 | N6 | C29 | 108.9° | 111.2° |
| C53 | N6 | C28 | 112.1° | 111.0° |
| N6 | C53 | H61 | 109.1° | 109.4° |
| N6 | C53 | H62 | 109.1° | 109.5° |
| C30 | C29 | N6 | 112.0° | 109.5° |
| C30 | C29 | H38 | 108.8° | 109.4° |
| C30 | C29 | H39 | 108.8° | 109.5° |
| C29 | C30 | H40 | 108.7° | 109.5° |
| C29 | C30 | H41 | 108.7° | 109.5° |
| C29 | N6 | C28 | 112.7° | 111.0° |
| N6 | C29 | H38 | 108.8° | 109.5° |
| N6 | C29 | H39 | 108.8° | 109.4° |
| N6 | C28 | C27 | 112.6° | 109.5° |
| N6 | C28 | H35 | 108.7° | 109.5° |
| N6 | C28 | H36 | 108.7° | 109.5° |
| C28 | C27 | C26 | 115.6° | 109.5° |
| C28 | C27 | C54 | 115.1° | 109.5° |
| C28 | C27 | H34 | 106.0° | 109.5° |
| C27 | C28 | H35 | 108.7° | 109.4° |
| C27 | C28 | H36 | 108.7° | 109.4° |
| C27 | C26 | C25 | 112.6° | 109.5° |
| C26 | C27 | C54 | 107.3° | 109.5° |
| C27 | C26 | H32 | 108.7° | 109.5° |
| C27 | C26 | H33 | 108.7° | 109.5° |
| C26 | C27 | H34 | 106.1° | 109.4° |
| C26 | C25 | C24 | 113.3° | 109.5° |
| C26 | C25 | H30 | 108.5° | 109.5° |
| C26 | C25 | H31 | 108.5° | 109.4° |
| C25 | C26 | H32 | 108.7° | 109.5° |
| C25 | C26 | H33 | 108.7° | 109.4° |
| C27 | C54 | C55 | 111.3° | 109.5° |
| C54 | C27 | H34 | 106.1° | 109.4° |
| C27 | C54 | H63 | 109.0° | 109.5° |
| C27 | C54 | H64 | 109.0° | 109.4° |
| C25 | C24 | C55 | 114.6° | 109.5° |
| C25 | C24 | C23 | 114.5° | 109.5° |
| C25 | C24 | H29 | 104.2° | 109.5° |
| C24 | C25 | H30 | 108.5° | 109.5° |
| C24 | C25 | H31 | 108.5° | 109.4° |
| C54 | C55 | C24 | 113.9° | 109.5° |
| C55 | C54 | H63 | 109.0° | 109.5° |
| C55 | C54 | H64 | 109.0° | 109.4° |
| C54 | C55 | H65 | 108.4° | 109.5° |
| C54 | C55 | H66 | 108.4° | 109.4° |
| C55 | C24 | C23 | 113.2° | 109.5° |
| C55 | C24 | H29 | 104.2° | 109.4° |
| C24 | C55 | H65 | 108.3° | 109.5° |
| C24 | C55 | H66 | 108.3° | 109.5° |
| C24 | C23 | N9 | 124.3° | 126.7° |
| C24 | C23 | C22 | 127.0° | 126.8° |
| C23 | C24 | H29 | 104.5° | 109.5° |
| C23 | N9 | N10 | 108.6° | 108.9° |
| N9 | C23 | C22 | 108.2° | 106.5° |
| N9 | N10 | N5 | 107.5° | 110.2° |
| C23 | C22 | N5 | 105.8° | 106.2° |
| C23 | C22 | H28 | 127.1° | 126.9° |
| N10 | N5 | C22 | 109.7° | 108.2° |
| N10 | N5 | C21 | 122.4° | 125.8° |
| C22 | N5 | C21 | 127.8° | 125.9° |
| N5 | C22 | H28 | 127.1° | 126.9° |
| N5 | C21 | C56 | 116.3° | 109.5° |
| N5 | C21 | C20 | 111.7° | 109.4° |
| N5 | C21 | H27 | 106.7° | 109.5° |
| C58 | C56 | C59 | 109.5° | 109.5° |
| C58 | C56 | C21 | 107.9° | 109.5° |
| C58 | C56 | C57 | 109.7° | 109.5° |
| C56 | C58 | H70 | 109.5° | 109.4° |
| C56 | C58 | H71 | 109.5° | 109.5° |
| C56 | C58 | H72 | 109.5° | 109.4° |
| C59 | C56 | C21 | 113.2° | 109.5° |
| C59 | C56 | C57 | 105.7° | 109.4° |
| C56 | C59 | H73 | 109.5° | 109.5° |
| C56 | C59 | H74 | 109.5° | 109.5° |
| C56 | C59 | H75 | 109.5° | 109.4° |
| C56 | C21 | C20 | 109.8° | 109.5° |
| C21 | C56 | C57 | 110.8° | 109.5° |
| C56 | C21 | H27 | 105.6° | 109.5° |
| C21 | C20 | O4 | 120.5° | 120.0° |
| C21 | C20 | N4 | 119.4° | 120.0° |
| C20 | C21 | H27 | 105.9° | 109.5° |
| C56 | C57 | H67 | 109.5° | 109.5° |
| C56 | C57 | H68 | 109.5° | 109.5° |
| C56 | C57 | H69 | 109.5° | 109.5° |
| O4 | C20 | N4 | 120.1° | 120.0° |
| C20 | N4 | C19 | 129.6° | 125.6° |
| C20 | N4 | C16 | 119.1° | 125.7° |
| C19 | N4 | C16 | 111.3° | 108.7° |
| N4 | C19 | C18 | 101.8° | 104.8° |
| N4 | C19 | H25 | 111.4° | 110.4° |
| N4 | C19 | H26 | 111.3° | 110.4° |
| N4 | C16 | C17 | 102.8° | 107.3° |
| N4 | C16 | C15 | 115.4° | 109.9° |
| N4 | C16 | H20 | 109.8° | 110.0° |
| C19 | C18 | O3 | 112.4° | 111.0° |
| C19 | C18 | C17 | 101.0° | 101.6° |
| C19 | C18 | H23 | 110.4° | 111.0° |
| C18 | C19 | H25 | 111.4° | 110.4° |
| C18 | C19 | H26 | 111.4° | 110.4° |
| O3 | C18 | C17 | 110.3° | 111.0° |
| O3 | C18 | H23 | 111.9° | 110.9° |
| C18 | O3 | H24 | 109.5° | 114.0° |
| C12 | O1 | C13 | 112.8° | 113.7° |
| O1 | C12 | C11 | 112.4° | 109.3° |
| O1 | C12 | H13 | 108.7° | 109.5° |
| O1 | C12 | H14 | 108.7° | 109.5° |
| O1 | C13 | C14 | 111.7° | 109.2° |
| O1 | C13 | H15 | 108.9° | 109.4° |
| O1 | C13 | H16 | 108.9° | 109.5° |
| C12 | C11 | N2 | 107.1° | 109.3° |
| C12 | C11 | H11 | 110.1° | 109.5° |
| C12 | C11 | H12 | 110.1° | 109.6° |
| C11 | C12 | H13 | 108.7° | 109.5° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C18 | C17 | C16 | 105.9° | 103.0° |
| C18 | C17 | H21 | 110.4° | 110.7° |
| C18 | C17 | H22 | 110.3° | 110.8° |
| C17 | C18 | H23 | 110.3° | 111.0° |
| C17 | C16 | C15 | 111.0° | 109.9° |
| C17 | C16 | H20 | 108.8° | 109.9° |
| C16 | C17 | H21 | 110.3° | 110.7° |
| C16 | C17 | H22 | 110.3° | 110.8° |
| C16 | C15 | N3 | 114.5° | 120.0° |
| C16 | C15 | O2 | 125.0° | 120.0° |
| C15 | C16 | H20 | 108.8° | 109.9° |
| C11 | N2 | C14 | 108.1° | 110.8° |
| C11 | N2 | C10 | 114.3° | 111.0° |
| N2 | C11 | H11 | 110.0° | 109.5° |
| N2 | C11 | H12 | 110.0° | 109.5° |
| C13 | C14 | N2 | 107.8° | 109.3° |
| C14 | C13 | H15 | 108.9° | 109.5° |
| C14 | C13 | H16 | 108.9° | 109.5° |
| C13 | C14 | H17 | 109.9° | 109.5° |
| C13 | C14 | H18 | 109.9° | 109.5° |
| C14 | N2 | C10 | 119.3° | 111.0° |
| N2 | C14 | H17 | 109.9° | 109.5° |
| N2 | C14 | H18 | 109.9° | 109.5° |
| N3 | C15 | O2 | 120.1° | 120.0° |
| C15 | N3 | C9 | 123.2° | 120.0° |
| C15 | N3 | H19 | 118.4° | 120.0° |
| N3 | C9 | C10 | 108.5° | 109.5° |
| N3 | C9 | C8 | 115.1° | 109.5° |
| N3 | C9 | H7 | 108.5° | 109.5° |
| C9 | N3 | H19 | 118.4° | 120.0° |
| N2 | C10 | C9 | 116.8° | 109.5° |
| N2 | C10 | H8 | 107.6° | 109.5° |
| N2 | C10 | H9 | 107.6° | 109.4° |
| C10 | C9 | C8 | 109.1° | 109.5° |
| C10 | C9 | H7 | 107.6° | 109.4° |
| C9 | C10 | H8 | 107.6° | 109.5° |
| C9 | C10 | H9 | 107.6° | 109.4° |
| C9 | C8 | C7 | 122.7° | 119.8° |
| C9 | C8 | C60 | 119.2° | 119.9° |
| C8 | C9 | H7 | 107.8° | 109.5° |
| C7 | C8 | C60 | 118.1° | 120.3° |
| C8 | C7 | C6 | 121.1° | 120.1° |
| C8 | C7 | H6 | 119.4° | 119.9° |
| C8 | C60 | C61 | 121.1° | 120.1° |
| C8 | C60 | H76 | 119.5° | 119.9° |
| C7 | C6 | C5 | 121.2° | 119.9° |
| C7 | C6 | H5 | 119.4° | 120.0° |
| C6 | C7 | H6 | 119.5° | 120.0° |
| C60 | C61 | C5 | 121.1° | 119.9° |
| C61 | C60 | H76 | 119.4° | 119.9° |
| C60 | C61 | H77 | 119.4° | 120.0° |
| C6 | C5 | C61 | 117.3° | 119.7° |
| C6 | C5 | C4 | 121.2° | 120.1° |
| C5 | C6 | H5 | 119.4° | 120.1° |
| C61 | C5 | C4 | 121.4° | 120.1° |
| C5 | C61 | H77 | 119.4° | 120.1° |
| C5 | C4 | S1 | 120.9° | 126.1° |
| C5 | C4 | C2 | 132.0° | 126.1° |
| S1 | C4 | C2 | 107.0° | 107.8° |
| C4 | S1 | C3 | 91.4° | 90.3° |
| C4 | C2 | C1 | 132.2° | 122.9° |
| C4 | C2 | N1 | 115.8° | 114.2° |
| S1 | C3 | N1 | 113.1° | 110.4° |
| S1 | C3 | H4 | 123.5° | 124.8° |
| C1 | C2 | N1 | 112.0° | 122.9° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | N1 | C3 | 112.7° | 117.2° |
| N1 | C3 | H4 | 123.5° | 124.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.6° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 110.7° |
| H25 | C19 | H26 | 109.5° | 110.3° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H40 | C30 | H41 | 109.5° | 109.5° |
| H49 | C47 | H50 | 109.5° | 109.4° |
| H51 | C48 | H52 | 109.5° | 109.5° |
| H53 | C49 | H54 | 109.5° | 109.5° |
| H55 | C50 | H56 | 109.5° | 109.5° |
| H57 | C51 | H58 | 109.4° | 109.5° |
| H59 | C52 | H60 | 109.5° | 109.5° |
| H61 | C53 | H62 | 109.5° | 109.5° |
| H63 | C54 | H64 | 109.5° | 109.5° |
| H65 | C55 | H66 | 109.5° | 109.5° |
| H67 | C57 | H68 | 109.4° | 109.5° |
| H67 | C57 | H69 | 109.5° | 109.5° |
| H68 | C57 | H69 | 109.5° | 109.5° |
| H70 | C58 | H71 | 109.5° | 109.5° |
| H70 | C58 | H72 | 109.5° | 109.5° |
| H71 | C58 | H72 | 109.5° | 109.5° |
| H73 | C59 | H74 | 109.5° | 109.5° |
| H73 | C59 | H75 | 109.4° | 109.5° |
| H74 | C59 | H75 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C41 | C42 | C40 | 179.9° | 180.0° |
| CL1 | C41 | C42 | C43 | 179.2° | 180.0° |
| CL1 | C41 | C40 | C39 | 0.5° | 0.0° |
| CL1 | C41 | C40 | C45 | 179.8° | 179.5° |
| CL1 | C41 | C42 | H46 | 0.8° | 0.1° |
| C41 | C42 | C43 | H46 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.7° | 0.0° |
| C42 | C41 | C40 | C39 | 179.6° | 180.0° |
| C42 | C41 | C40 | C45 | 0.0° | 0.6° |
| C41 | C42 | C43 | H47 | 179.2° | 180.0° |
| C43 | C42 | C41 | C40 | 0.7° | 0.0° |
| C42 | C43 | C44 | H47 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.5° |
| C42 | C43 | C44 | H48 | 179.8° | 180.0° |
| C41 | C40 | C39 | O5 | 1.4° | 0.0° |
| C41 | C40 | C39 | C45 | 179.6° | 179.4° |
| C41 | C40 | C39 | N8 | 179.1° | 179.9° |
| C41 | C40 | C45 | C44 | 0.5° | 1.1° |
| C41 | C40 | C45 | N7 | 178.6° | 179.5° |
| C40 | C41 | C42 | H46 | 179.4° | 179.9° |
| C43 | C44 | C45 | C40 | 0.4° | 1.0° |
| C43 | C44 | C45 | H48 | 180.0° | 179.5° |
| C43 | C44 | C45 | N7 | 178.6° | 179.4° |
| C44 | C43 | C42 | H46 | 179.3° | 179.9° |
| O5 | C39 | C40 | N8 | 179.5° | 180.0° |
| O5 | C39 | C40 | C45 | 179.0° | 179.5° |
| O5 | C39 | N8 | C38 | 179.9° | 180.0° |
| C39 | C40 | C45 | C44 | 179.9° | 179.5° |
| C39 | C40 | C45 | N7 | 1.1° | 1.1° |
| C40 | C39 | N8 | C38 | 0.4° | 0.0° |
| C45 | C40 | C39 | N8 | 0.5° | 0.5° |
| C40 | C45 | C44 | N7 | 179.0° | 178.4° |
| C40 | C45 | N7 | C38 | 0.9° | 1.2° |
| C40 | C45 | N7 | C36 | 177.9° | 179.6° |
| C40 | C45 | C44 | H48 | 179.6° | 179.5° |
| C39 | N8 | C38 | N7 | 0.7° | 0.0° |
| C39 | N8 | C38 | C46 | 177.7° | 179.4° |
| C44 | C45 | N7 | C38 | 179.9° | 179.5° |
| C44 | C45 | N7 | C36 | 3.0° | 1.2° |
| C45 | C44 | C43 | H47 | 179.8° | 179.5° |
| C45 | N7 | C38 | N8 | 0.1° | 0.7° |
| C45 | N7 | C38 | C36 | 177.6° | 179.4° |
| C45 | N7 | C38 | C46 | 177.5° | 179.9° |
| C45 | N7 | C36 | C37 | 0.5° | 0.7° |
| C45 | N7 | C36 | C35 | 176.5° | 179.8° |
| N7 | C45 | C44 | H48 | 1.4° | 1.1° |
| N8 | C38 | N7 | C46 | 177.4° | 179.4° |
| N8 | C38 | N7 | C36 | 177.6° | 180.0° |
| N8 | C38 | C46 | C47 | 58.1° | 61.7° |
| N8 | C38 | C46 | C35 | 176.9° | 179.8° |
| N8 | C38 | C46 | C51 | 68.1° | 60.5° |
| C38 | N7 | C36 | C37 | 176.8° | 180.0° |
| C38 | N7 | C36 | C35 | 0.8° | 0.5° |
| N7 | C38 | C46 | C47 | 119.2° | 118.9° |
| N7 | C38 | C46 | C35 | 0.4° | 0.4° |
| N7 | C38 | C46 | C51 | 114.6° | 118.9° |
| C36 | N7 | C38 | C46 | 0.2° | 0.6° |
| N7 | C36 | C37 | C35 | 175.7° | 179.4° |
| N7 | C36 | C37 | C32 | 177.2° | 179.9° |
| N7 | C36 | C35 | C46 | 1.1° | 0.2° |
| N7 | C36 | C35 | C34 | 178.6° | 179.7° |
| N7 | C36 | C37 | H45 | 2.8° | 0.5° |
| C38 | C46 | C35 | C36 | 0.9° | 0.1° |
| C38 | C46 | C47 | C35 | 110.6° | 115.0° |
| C38 | C46 | C47 | C51 | 126.4° | 122.0° |
| C38 | C46 | C35 | C51 | 119.9° | 118.8° |
| C38 | C46 | C47 | C48 | 162.0° | 179.1° |
| C38 | C46 | C35 | C34 | 178.7° | 179.9° |
| C38 | C46 | C51 | C50 | 160.9° | 179.1° |
| C38 | C46 | C47 | H49 | 41.1° | 60.9° |
| C38 | C46 | C47 | H50 | 77.1° | 59.1° |
| C38 | C46 | C51 | H57 | 78.3° | 59.1° |
| C38 | C46 | C51 | H58 | 40.2° | 60.8° |
| C36 | C37 | C32 | H45 | 180.0° | 179.5° |
| C37 | C36 | C35 | C46 | 177.7° | 179.8° |
| C37 | C36 | C35 | C34 | 1.9° | 0.2° |
| C36 | C37 | C32 | C31 | 179.4° | 179.8° |
| C36 | C37 | C32 | C33 | 0.4° | 0.5° |
| C35 | C36 | C37 | C32 | 1.5° | 0.5° |
| C36 | C35 | C46 | C47 | 114.5° | 118.5° |
| C36 | C35 | C46 | C34 | 179.6° | 180.0° |
| C36 | C35 | C46 | C51 | 118.9° | 118.7° |
| C36 | C35 | C34 | C33 | 1.2° | 0.1° |
| C36 | C35 | C34 | H44 | 178.8° | 179.9° |
| C35 | C36 | C37 | H45 | 178.5° | 180.0° |
| C37 | C32 | C31 | C33 | 179.7° | 179.7° |
| C37 | C32 | C31 | C52 | 98.4° | 119.8° |
| C37 | C32 | C31 | C30 | 137.6° | 120.6° |
| C37 | C32 | C33 | C34 | 0.4° | 0.2° |
| C37 | C32 | C31 | H42 | 18.5° | 0.4° |
| C37 | C32 | C33 | H43 | 179.6° | 179.8° |
| C47 | C46 | C35 | C51 | 126.6° | 122.8° |
| C46 | C47 | C48 | H49 | 120.9° | 120.0° |
| C46 | C47 | C48 | H50 | 120.9° | 120.0° |
| C47 | C46 | C35 | C34 | 65.1° | 61.6° |
| C47 | C46 | C51 | C50 | 38.7° | 59.0° |
| C46 | C47 | C48 | C49 | 47.1° | 59.3° |
| C46 | C47 | H49 | H50 | 117.2° | 120.0° |
| C46 | C47 | C48 | H51 | 167.3° | 179.3° |
| C46 | C47 | C48 | H52 | 73.1° | 60.7° |
| C47 | C46 | C51 | H57 | 159.5° | 178.9° |
| C47 | C46 | C51 | H58 | 82.0° | 61.1° |
| C35 | C46 | C47 | C48 | 87.5° | 64.1° |
| C35 | C46 | C51 | C50 | 87.6° | 63.7° |
| C46 | C35 | C34 | C33 | 178.4° | 180.0° |
| C46 | C35 | C34 | H44 | 1.6° | 0.1° |
| C35 | C46 | C47 | H49 | 151.7° | 175.8° |
| C35 | C46 | C47 | H50 | 33.5° | 55.9° |
| C35 | C46 | C51 | H57 | 33.1° | 56.3° |
| C35 | C46 | C51 | H58 | 151.7° | 176.2° |
| C51 | C46 | C47 | C48 | 35.6° | 58.9° |
| C51 | C46 | C35 | C34 | 61.5° | 61.3° |
| C46 | C51 | C50 | H57 | 120.7° | 119.9° |
| C46 | C51 | C50 | H58 | 120.8° | 120.1° |
| C46 | C51 | C50 | C49 | 53.6° | 59.3° |
| C51 | C46 | C47 | H49 | 85.3° | 61.1° |
| C51 | C46 | C47 | H50 | 156.5° | 178.9° |
| C46 | C51 | C50 | H55 | 66.5° | 179.3° |
| C46 | C51 | C50 | H56 | 173.6° | 60.7° |
| C46 | C51 | H57 | H58 | 117.8° | 120.0° |
| C47 | C48 | C49 | H51 | 120.2° | 120.0° |
| C47 | C48 | C49 | H52 | 120.2° | 120.0° |
| C47 | C48 | C49 | C50 | 61.4° | 60.3° |
| C48 | C47 | H49 | H50 | 117.2° | 119.9° |
| C47 | C48 | H51 | H52 | 119.4° | 120.0° |
| C47 | C48 | C49 | H53 | 58.6° | 59.6° |
| C47 | C48 | C49 | H54 | 178.6° | 179.6° |
| C35 | C34 | C33 | C32 | 0.0° | 0.1° |
| C35 | C34 | C33 | H44 | 180.0° | 179.9° |
| C35 | C34 | C33 | H43 | 180.0° | 179.9° |
| C51 | C50 | C49 | C48 | 64.8° | 60.4° |
| C51 | C50 | C49 | H55 | 120.0° | 120.0° |
| C51 | C50 | C49 | H56 | 120.0° | 120.1° |
| C51 | C50 | C49 | H53 | 55.2° | 59.6° |
| C51 | C50 | C49 | H54 | 175.3° | 179.6° |
| C51 | C50 | H55 | H56 | 119.8° | 120.1° |
| C50 | C51 | H57 | H58 | 117.7° | 120.0° |
| C32 | C31 | C52 | C30 | 126.8° | 119.9° |
| C32 | C31 | C52 | H42 | 116.9° | 120.2° |
| C32 | C31 | C30 | H42 | 119.3° | 120.2° |
| C31 | C32 | C33 | C34 | 179.9° | 179.9° |
| C32 | C31 | C52 | C53 | 178.8° | 177.6° |
| C32 | C31 | C30 | C29 | 174.4° | 177.5° |
| C32 | C31 | C30 | H40 | 53.9° | 62.5° |
| C32 | C31 | C30 | H41 | 65.2° | 57.6° |
| C31 | C32 | C33 | H43 | 0.1° | 0.1° |
| C31 | C32 | C37 | H45 | 0.6° | 0.2° |
| C32 | C31 | C52 | H59 | 58.8° | 62.5° |
| C32 | C31 | C52 | H60 | 61.2° | 57.6° |
| C33 | C32 | C31 | C52 | 81.4° | 60.0° |
| C33 | C32 | C31 | C30 | 42.6° | 59.7° |
| C32 | C33 | C34 | H43 | 180.0° | 180.0° |
| C33 | C32 | C31 | H42 | 161.8° | 179.8° |
| C32 | C33 | C34 | H44 | 180.0° | 179.9° |
| C33 | C32 | C37 | H45 | 179.7° | 180.0° |
| C52 | C31 | C30 | H42 | 116.4° | 119.9° |
| C31 | C52 | C53 | H59 | 120.0° | 119.9° |
| C31 | C52 | C53 | H60 | 120.0° | 120.0° |
| C31 | C52 | C53 | N6 | 62.8° | 59.2° |
| C52 | C31 | C30 | C29 | 50.1° | 57.6° |
| C52 | C31 | C30 | H40 | 70.3° | 177.6° |
| C52 | C31 | C30 | H41 | 170.6° | 62.3° |
| C31 | C52 | H59 | H60 | 120.0° | 120.1° |
| C31 | C52 | C53 | H61 | 57.5° | 179.2° |
| C31 | C52 | C53 | H62 | 177.0° | 60.8° |
| C30 | C31 | C52 | C53 | 54.4° | 57.7° |
| C31 | C30 | C29 | H40 | 120.4° | 120.0° |
| C31 | C30 | C29 | H41 | 120.5° | 120.0° |
| C31 | C30 | C29 | N6 | 52.5° | 59.2° |
| C31 | C30 | C29 | H38 | 172.9° | 60.9° |
| C31 | C30 | C29 | H39 | 67.9° | 179.2° |
| C31 | C30 | H40 | H41 | 118.6° | 120.1° |
| C30 | C31 | C52 | H59 | 174.4° | 177.6° |
| C30 | C31 | C52 | H60 | 65.6° | 62.3° |
| C48 | C49 | C50 | H53 | 120.0° | 120.0° |
| C48 | C49 | C50 | H54 | 120.0° | 120.0° |
| C49 | C48 | C47 | H49 | 73.8° | 60.8° |
| C49 | C48 | C47 | H50 | 168.0° | 179.3° |
| C49 | C48 | H51 | H52 | 119.3° | 120.0° |
| C48 | C49 | H53 | H54 | 120.0° | 120.0° |
| C48 | C49 | C50 | H55 | 55.3° | 179.7° |
| C48 | C49 | C50 | H56 | 175.2° | 59.7° |
| C50 | C49 | C48 | H51 | 178.3° | 179.6° |
| C50 | C49 | C48 | H52 | 58.8° | 59.6° |
| C50 | C49 | H53 | H54 | 120.1° | 120.0° |
| C49 | C50 | H55 | H56 | 119.9° | 120.0° |
| C49 | C50 | C51 | H57 | 174.3° | 179.2° |
| C49 | C50 | C51 | H58 | 67.2° | 60.8° |
| C52 | C53 | N6 | H61 | 120.2° | 120.0° |
| C52 | C53 | N6 | H62 | 120.2° | 120.0° |
| C52 | C53 | N6 | C29 | 63.6° | 61.7° |
| C52 | C53 | N6 | C28 | 171.0° | 174.2° |
| C53 | C52 | C31 | H42 | 61.9° | 62.2° |
| C53 | C52 | H59 | H60 | 120.0° | 120.1° |
| C52 | C53 | H61 | H62 | 119.3° | 120.0° |
| C53 | N6 | C29 | C30 | 57.9° | 61.7° |
| C53 | N6 | C29 | C28 | 125.0° | 124.1° |
| C53 | N6 | C28 | C27 | 54.6° | 65.8° |
| C53 | N6 | C28 | H35 | 175.1° | 54.2° |
| C53 | N6 | C28 | H36 | 65.9° | 174.2° |
| C53 | N6 | C29 | H38 | 178.3° | 58.3° |
| C53 | N6 | C29 | H39 | 62.5° | 178.3° |
| N6 | C53 | C52 | H59 | 177.2° | 179.1° |
| N6 | C53 | C52 | H60 | 57.2° | 60.7° |
| N6 | C53 | H61 | H62 | 119.3° | 120.0° |
| C30 | C29 | N6 | H38 | 120.4° | 120.0° |
| C30 | C29 | N6 | H39 | 120.4° | 120.0° |
| C30 | C29 | N6 | C28 | 177.1° | 174.2° |
| C30 | C29 | H38 | H39 | 118.8° | 120.0° |
| C29 | C30 | H40 | H41 | 118.6° | 120.0° |
| C29 | C30 | C31 | H42 | 66.3° | 62.3° |
| C29 | N6 | C28 | C27 | 177.8° | 170.0° |
| C29 | N6 | C28 | H35 | 61.7° | 70.0° |
| C29 | N6 | C28 | H36 | 57.4° | 50.0° |
| N6 | C29 | H38 | H39 | 118.8° | 120.0° |
| N6 | C29 | C30 | H40 | 68.0° | 179.2° |
| N6 | C29 | C30 | H41 | 172.9° | 60.8° |
| C29 | N6 | C53 | H61 | 56.6° | 178.3° |
| C29 | N6 | C53 | H62 | 176.1° | 58.3° |
| N6 | C28 | C27 | H35 | 120.5° | 120.0° |
| N6 | C28 | C27 | H36 | 120.5° | 120.0° |
| N6 | C28 | C27 | C26 | 146.9° | 175.0° |
| N6 | C28 | C27 | C54 | 87.1° | 65.0° |
| N6 | C28 | C27 | H34 | 29.8° | 55.0° |
| N6 | C28 | H35 | H36 | 118.6° | 120.1° |
| C28 | N6 | C29 | H38 | 56.7° | 65.8° |
| C28 | N6 | C29 | H39 | 62.5° | 54.1° |
| C28 | N6 | C53 | H61 | 68.8° | 54.2° |
| C28 | N6 | C53 | H62 | 50.8° | 65.8° |
| C28 | C27 | C26 | C54 | 129.8° | 120.0° |
| C28 | C27 | C26 | H34 | 117.1° | 120.0° |
| C28 | C27 | C26 | C25 | 68.1° | 180.0° |
| C28 | C27 | C54 | H34 | 116.9° | 120.0° |
| C28 | C27 | C54 | C55 | 68.3° | 180.0° |
| C28 | C27 | C26 | H32 | 52.3° | 60.0° |
| C28 | C27 | C26 | H33 | 171.4° | 60.1° |
| C27 | C28 | H35 | H36 | 118.6° | 120.0° |
| C28 | C27 | C54 | H63 | 171.4° | 60.0° |
| C28 | C27 | C54 | H64 | 52.0° | 60.0° |
| C27 | C26 | C25 | H32 | 120.5° | 120.0° |
| C27 | C26 | C25 | H33 | 120.4° | 119.9° |
| C26 | C27 | C54 | H34 | 113.0° | 120.0° |
| C27 | C26 | C25 | C24 | 51.4° | 60.0° |
| C26 | C27 | C54 | C55 | 61.8° | 59.9° |
| C27 | C26 | C25 | H30 | 69.2° | 60.0° |
| C27 | C26 | C25 | H31 | 171.9° | 180.0° |
| C27 | C26 | H32 | H33 | 118.6° | 120.0° |
| C26 | C27 | C28 | H35 | 92.6° | 55.0° |
| C26 | C27 | C28 | H36 | 26.5° | 65.0° |
| C26 | C27 | C54 | H63 | 58.5° | 180.0° |
| C26 | C27 | C54 | H64 | 177.9° | 60.0° |
| C25 | C26 | C27 | C54 | 61.7° | 60.0° |
| C26 | C25 | C24 | H30 | 120.6° | 120.0° |
| C26 | C25 | C24 | H31 | 120.6° | 120.0° |
| C26 | C25 | C24 | C55 | 39.7° | 60.0° |
| C26 | C25 | C24 | C23 | 93.5° | 180.0° |
| C26 | C25 | C24 | H29 | 152.9° | 59.9° |
| C26 | C25 | H30 | H31 | 118.2° | 120.0° |
| C25 | C26 | H32 | H33 | 118.6° | 120.0° |
| C25 | C26 | C27 | H34 | 174.8° | 60.0° |
| C27 | C54 | C55 | H63 | 120.3° | 120.1° |
| C27 | C54 | C55 | H64 | 120.3° | 119.9° |
| C27 | C54 | C55 | C24 | 52.6° | 59.9° |
| C54 | C27 | C26 | H32 | 177.8° | 180.0° |
| C54 | C27 | C26 | H33 | 58.7° | 60.0° |
| C54 | C27 | C28 | H35 | 33.4° | 175.0° |
| C54 | C27 | C28 | H36 | 152.4° | 55.0° |
| C27 | C54 | H63 | H64 | 119.1° | 120.0° |
| C27 | C54 | C55 | H65 | 173.2° | 180.0° |
| C27 | C54 | C55 | H66 | 68.1° | 60.1° |
| C25 | C24 | C55 | C54 | 40.8° | 60.0° |
| C25 | C24 | C55 | C23 | 133.8° | 120.0° |
| C25 | C24 | C55 | H29 | 113.2° | 120.0° |
| C25 | C24 | C23 | H29 | 113.4° | 120.0° |
| C25 | C24 | C23 | N9 | 20.5° | 145.0° |
| C25 | C24 | C23 | C22 | 168.8° | 35.0° |
| C24 | C25 | H30 | H31 | 118.3° | 120.0° |
| C24 | C25 | C26 | H32 | 171.8° | 180.0° |
| C24 | C25 | C26 | H33 | 69.1° | 59.9° |
| C25 | C24 | C55 | H65 | 161.5° | 180.0° |
| C25 | C24 | C55 | H66 | 79.9° | 60.0° |
| C54 | C55 | C24 | H65 | 120.7° | 120.0° |
| C54 | C55 | C24 | H66 | 120.7° | 119.9° |
| C54 | C55 | C24 | C23 | 93.0° | 180.0° |
| C54 | C55 | C24 | H29 | 154.0° | 60.0° |
| C55 | C54 | C27 | H34 | 174.8° | 60.0° |
| C55 | C54 | H63 | H64 | 119.2° | 119.9° |
| C54 | C55 | H65 | H66 | 118.0° | 119.9° |
| C55 | C24 | C23 | H29 | 112.7° | 120.0° |
| C55 | C24 | C23 | N9 | 154.4° | 95.0° |
| C55 | C24 | C23 | C22 | 34.9° | 85.0° |
| C55 | C24 | C25 | H30 | 80.8° | 60.0° |
| C55 | C24 | C25 | H31 | 160.3° | 180.0° |
| C24 | C55 | C54 | H63 | 67.7° | 180.0° |
| C24 | C55 | C54 | H64 | 172.9° | 60.0° |
| C24 | C55 | H65 | H66 | 118.0° | 120.0° |
| C24 | C23 | N9 | C22 | 172.2° | 180.0° |
| C24 | C23 | N9 | N10 | 174.7° | 179.7° |
| C24 | C23 | C22 | N5 | 174.8° | 180.0° |
| C24 | C23 | C22 | H28 | 5.2° | 0.0° |
| C23 | C24 | C25 | H30 | 146.0° | 60.0° |
| C23 | C24 | C25 | H31 | 27.1° | 60.0° |
| C23 | C24 | C55 | H65 | 27.6° | 60.0° |
| C23 | C24 | C55 | H66 | 146.3° | 60.0° |
| C23 | N9 | N10 | N5 | 1.1° | 0.5° |
| N9 | C23 | C22 | N5 | 2.9° | 0.0° |
| N9 | C23 | C22 | H28 | 177.1° | 180.0° |
| N9 | C23 | C24 | H29 | 92.9° | 25.0° |
| N10 | N9 | C23 | C22 | 2.5° | 0.3° |
| N9 | N10 | N5 | C22 | 0.8° | 0.5° |
| N9 | N10 | N5 | C21 | 179.3° | 179.9° |
| C23 | C22 | N5 | N10 | 2.3° | 0.3° |
| C23 | C22 | N5 | H28 | 180.0° | 179.9° |
| C23 | C22 | N5 | C21 | 179.3° | 180.0° |
| C22 | C23 | C24 | H29 | 77.8° | 155.0° |
| N10 | N5 | C22 | C21 | 178.4° | 179.7° |
| N10 | N5 | C21 | C56 | 97.4° | 94.7° |
| N10 | N5 | C21 | C20 | 135.4° | 145.3° |
| N10 | N5 | C21 | H27 | 20.1° | 25.3° |
| N10 | N5 | C22 | H28 | 177.7° | 179.8° |
| C22 | N5 | C21 | C56 | 84.4° | 84.9° |
| C22 | N5 | C21 | C20 | 42.8° | 35.1° |
| C22 | N5 | C21 | H27 | 158.1° | 155.1° |
| N5 | C21 | C56 | C58 | 65.0° | 64.6° |
| N5 | C21 | C56 | C59 | 56.4° | 55.4° |
| N5 | C21 | C56 | C20 | 128.1° | 120.0° |
| N5 | C21 | C56 | H27 | 118.1° | 120.0° |
| N5 | C21 | C20 | H27 | 115.8° | 120.0° |
| N5 | C21 | C56 | C57 | 174.9° | 175.4° |
| N5 | C21 | C20 | O4 | 50.6° | 48.5° |
| N5 | C21 | C20 | N4 | 131.4° | 131.6° |
| C21 | N5 | C22 | H28 | 0.6° | 0.1° |
| C58 | C56 | C59 | C21 | 120.4° | 120.0° |
| C58 | C56 | C59 | C57 | 118.1° | 120.0° |
| C58 | C56 | C21 | C57 | 120.1° | 120.0° |
| C58 | C56 | C21 | C20 | 166.9° | 175.4° |
| C58 | C56 | C21 | H27 | 53.1° | 55.4° |
| C58 | C56 | C57 | H67 | 180.0° | 56.2° |
| C58 | C56 | C57 | H68 | 60.0° | 63.8° |
| C58 | C56 | C57 | H69 | 60.0° | 176.3° |
| C56 | C58 | H70 | H71 | 120.0° | 120.0° |
| C56 | C58 | H70 | H72 | 120.0° | 119.9° |
| C56 | C58 | H71 | H72 | 120.0° | 120.0° |
| C58 | C56 | C59 | H73 | 180.0° | 180.0° |
| C58 | C56 | C59 | H74 | 60.0° | 59.9° |
| C58 | C56 | C59 | H75 | 60.0° | 60.0° |
| C59 | C56 | C21 | C57 | 118.6° | 120.0° |
| C59 | C56 | C21 | C20 | 71.8° | 64.5° |
| C59 | C56 | C21 | H27 | 174.4° | 175.4° |
| C59 | C56 | C57 | H67 | 62.0° | 176.2° |
| C59 | C56 | C57 | H68 | 178.0° | 56.2° |
| C59 | C56 | C57 | H69 | 58.0° | 63.8° |
| C59 | C56 | C58 | H70 | 180.0° | 60.1° |
| C59 | C56 | C58 | H71 | 60.0° | 60.0° |
| C59 | C56 | C58 | H72 | 60.0° | 180.0° |
| C56 | C59 | H73 | H74 | 120.0° | 120.0° |
| C56 | C59 | H73 | H75 | 120.0° | 120.0° |
| C56 | C59 | H74 | H75 | 120.0° | 119.9° |
| C56 | C21 | C20 | H27 | 113.6° | 120.0° |
| C56 | C21 | C20 | O4 | 80.0° | 71.5° |
| C56 | C21 | C20 | N4 | 98.0° | 108.5° |
| C21 | C56 | C57 | H67 | 61.0° | 63.8° |
| C21 | C56 | C57 | H68 | 59.0° | 176.2° |
| C21 | C56 | C57 | H69 | 179.0° | 56.3° |
| C21 | C56 | C58 | H70 | 56.4° | 60.0° |
| C21 | C56 | C58 | H71 | 63.6° | 180.0° |
| C21 | C56 | C58 | H72 | 176.4° | 60.0° |
| C21 | C56 | C59 | H73 | 59.5° | 60.0° |
| C21 | C56 | C59 | H74 | 179.6° | 180.0° |
| C21 | C56 | C59 | H75 | 60.4° | 60.0° |
| C20 | C21 | C56 | C57 | 46.8° | 55.5° |
| C21 | C20 | O4 | N4 | 178.0° | 180.0° |
| C21 | C20 | N4 | C19 | 6.7° | 4.7° |
| C21 | C20 | N4 | C16 | 174.9° | 175.3° |
| C57 | C56 | C21 | H27 | 67.0° | 64.6° |
| C56 | C57 | H67 | H68 | 120.0° | 120.0° |
| C56 | C57 | H67 | H69 | 120.0° | 120.0° |
| C56 | C57 | H68 | H69 | 120.0° | 120.0° |
| C57 | C56 | C58 | H70 | 64.4° | 180.0° |
| C57 | C56 | C58 | H71 | 175.6° | 60.0° |
| C57 | C56 | C58 | H72 | 55.6° | 60.0° |
| C57 | C56 | C59 | H73 | 61.9° | 60.0° |
| C57 | C56 | C59 | H74 | 58.1° | 60.0° |
| C57 | C56 | C59 | H75 | 178.1° | 180.0° |
| O4 | C20 | N4 | C19 | 175.3° | 175.2° |
| O4 | C20 | N4 | C16 | 3.1° | 4.7° |
| O4 | C20 | C21 | H27 | 166.4° | 168.4° |
| C20 | N4 | C19 | C16 | 178.5° | 180.0° |
| C20 | N4 | C19 | C18 | 147.0° | 155.9° |
| C20 | N4 | C16 | C17 | 170.1° | 179.0° |
| C20 | N4 | C16 | C15 | 68.9° | 59.5° |
| C20 | N4 | C16 | H20 | 54.5° | 61.6° |
| C20 | N4 | C19 | H25 | 28.3° | 37.0° |
| C20 | N4 | C19 | H26 | 94.2° | 85.2° |
| N4 | C20 | C21 | H27 | 15.6° | 11.6° |
| N4 | C19 | C18 | H25 | 118.8° | 118.9° |
| N4 | C19 | C18 | H26 | 118.7° | 118.9° |
| N4 | C19 | C18 | O3 | 77.3° | 155.1° |
| N4 | C19 | C18 | C17 | 40.3° | 37.0° |
| C19 | N4 | C16 | C17 | 8.6° | 1.0° |
| C19 | N4 | C16 | C15 | 112.4° | 120.5° |
| C19 | N4 | C16 | H20 | 124.2° | 118.5° |
| N4 | C19 | C18 | H23 | 157.0° | 81.1° |
| N4 | C19 | H25 | H26 | 123.6° | 122.3° |
| C16 | N4 | C19 | C18 | 31.5° | 24.1° |
| N4 | C16 | C17 | C18 | 18.0° | 22.3° |
| N4 | C16 | C17 | C15 | 124.0° | 119.5° |
| N4 | C16 | C17 | H20 | 116.4° | 119.5° |
| N4 | C16 | C15 | H20 | 123.9° | 121.1° |
| N4 | C16 | C15 | N3 | 136.1° | 159.1° |
| N4 | C16 | C15 | O2 | 50.5° | 20.9° |
| N4 | C16 | C17 | H21 | 137.4° | 140.6° |
| N4 | C16 | C17 | H22 | 101.5° | 96.3° |
| C16 | N4 | C19 | H25 | 150.3° | 143.0° |
| C16 | N4 | C19 | H26 | 87.2° | 94.8° |
| C19 | C18 | O3 | C17 | 111.9° | 112.2° |
| C19 | C18 | O3 | H23 | 124.9° | 123.9° |
| C19 | C18 | C17 | H23 | 116.8° | 118.1° |
| C19 | C18 | C17 | C16 | 36.5° | 35.5° |
| C19 | C18 | C17 | H21 | 155.9° | 153.9° |
| C19 | C18 | C17 | H22 | 82.9° | 83.0° |
| C19 | C18 | O3 | H24 | 180.0° | 67.7° |
| C18 | C19 | H25 | H26 | 123.6° | 122.3° |
| O3 | C18 | C17 | H23 | 124.1° | 123.8° |
| O3 | C18 | C17 | C16 | 82.6° | 153.6° |
| O3 | C18 | C17 | H21 | 36.8° | 88.0° |
| O3 | C18 | C17 | H22 | 158.0° | 35.2° |
| O3 | C18 | C19 | H25 | 41.5° | 86.1° |
| O3 | C18 | C19 | H26 | 164.0° | 36.2° |
| O1 | C12 | C11 | H13 | 120.4° | 120.0° |
| O1 | C12 | C11 | H14 | 120.5° | 120.0° |
| O1 | C12 | C11 | N2 | 57.8° | 56.8° |
| C12 | O1 | C13 | C14 | 51.6° | 58.7° |
| O1 | C12 | C11 | H11 | 177.4° | 63.1° |
| O1 | C12 | C11 | H12 | 61.8° | 176.8° |
| O1 | C12 | H13 | H14 | 118.7° | 120.1° |
| C12 | O1 | C13 | H15 | 171.9° | 178.6° |
| C12 | O1 | C13 | H16 | 68.8° | 61.3° |
| C13 | O1 | C12 | C11 | 51.9° | 58.7° |
| O1 | C13 | C14 | H15 | 120.3° | 119.9° |
| O1 | C13 | C14 | H16 | 120.3° | 119.9° |
| O1 | C13 | C14 | N2 | 57.8° | 56.9° |
| C13 | O1 | C12 | H13 | 68.5° | 178.7° |
| C13 | O1 | C12 | H14 | 172.3° | 61.3° |
| O1 | C13 | H15 | H16 | 119.0° | 120.1° |
| O1 | C13 | C14 | H17 | 61.9° | 176.8° |
| O1 | C13 | C14 | H18 | 177.6° | 63.1° |
| C12 | C11 | N2 | H11 | 119.6° | 119.9° |
| C12 | C11 | N2 | H12 | 119.6° | 120.1° |
| C12 | C11 | N2 | C14 | 64.6° | 58.5° |
| C12 | C11 | N2 | C10 | 160.0° | 177.6° |
| C12 | C11 | H11 | H12 | 121.1° | 120.1° |
| C11 | C12 | H13 | H14 | 118.6° | 120.1° |
| C18 | C17 | C16 | H21 | 119.4° | 118.3° |
| C18 | C17 | C16 | H22 | 119.4° | 118.5° |
| C18 | C17 | C16 | C15 | 142.0° | 97.2° |
| C18 | C17 | C16 | H20 | 98.4° | 141.7° |
| C18 | C17 | H21 | H22 | 121.7° | 123.3° |
| C17 | C18 | O3 | H24 | 68.1° | 180.0° |
| C17 | C18 | C19 | H25 | 159.0° | 155.8° |
| C17 | C18 | C19 | H26 | 78.5° | 81.9° |
| C17 | C16 | C15 | H20 | 119.6° | 121.0° |
| C17 | C16 | C15 | N3 | 107.4° | 83.0° |
| C17 | C16 | C15 | O2 | 66.0° | 96.9° |
| C16 | C17 | H21 | H22 | 121.6° | 123.2° |
| C16 | C17 | C18 | H23 | 153.3° | 82.5° |
| C16 | C15 | N3 | O2 | 173.7° | 179.9° |
| C16 | C15 | N3 | C9 | 162.1° | 174.6° |
| C16 | C15 | N3 | H19 | 17.9° | 5.3° |
| C15 | C16 | C17 | H21 | 98.6° | 21.1° |
| C15 | C16 | C17 | H22 | 22.5° | 144.2° |
| C11 | N2 | C14 | C13 | 65.1° | 58.6° |
| C11 | N2 | C14 | C10 | 132.8° | 123.8° |
| C11 | N2 | C10 | C9 | 126.8° | 164.0° |
| C11 | N2 | C10 | H8 | 112.1° | 75.9° |
| C11 | N2 | C10 | H9 | 5.8° | 44.1° |
| N2 | C11 | H11 | H12 | 121.1° | 120.1° |
| N2 | C11 | C12 | H13 | 62.6° | 176.8° |
| N2 | C11 | C12 | H14 | 178.3° | 63.2° |
| C11 | N2 | C14 | H17 | 54.6° | 178.5° |
| C11 | N2 | C14 | H18 | 175.2° | 61.3° |
| C13 | C14 | N2 | H17 | 119.7° | 119.9° |
| C13 | C14 | N2 | H18 | 119.7° | 119.9° |
| C13 | C14 | N2 | C10 | 162.1° | 177.6° |
| C14 | C13 | H15 | H16 | 119.0° | 120.2° |
| C13 | C14 | H17 | H18 | 120.8° | 120.1° |
| C14 | N2 | C10 | C9 | 3.3° | 72.3° |
| C14 | N2 | C10 | H8 | 117.8° | 47.8° |
| C14 | N2 | C10 | H9 | 124.4° | 167.8° |
| C14 | N2 | C11 | H11 | 175.8° | 61.3° |
| C14 | N2 | C11 | H12 | 55.0° | 178.6° |
| N2 | C14 | C13 | H15 | 178.2° | 176.7° |
| N2 | C14 | C13 | H16 | 62.5° | 63.1° |
| N2 | C14 | H17 | H18 | 120.8° | 120.1° |
| C15 | N3 | C9 | H19 | 180.0° | 180.0° |
| C15 | N3 | C9 | C10 | 152.4° | 84.4° |
| C15 | N3 | C9 | C8 | 85.1° | 155.5° |
| C15 | N3 | C9 | H7 | 35.7° | 35.5° |
| N3 | C15 | C16 | H20 | 12.2° | 38.0° |
| O2 | C15 | N3 | C9 | 11.6° | 5.4° |
| O2 | C15 | N3 | H19 | 168.4° | 174.6° |
| O2 | C15 | C16 | H20 | 174.4° | 142.1° |
| N3 | C9 | C10 | N2 | 86.2° | 175.5° |
| N3 | C9 | C10 | C8 | 126.1° | 120.0° |
| N3 | C9 | C10 | H7 | 117.2° | 120.0° |
| N3 | C9 | C8 | H7 | 121.2° | 120.1° |
| N3 | C9 | C8 | C7 | 15.2° | 140.0° |
| N3 | C9 | C8 | C60 | 166.3° | 39.9° |
| N3 | C9 | C10 | H8 | 152.8° | 55.4° |
| N3 | C9 | C10 | H9 | 34.9° | 64.5° |
| N2 | C10 | C9 | H8 | 121.1° | 120.1° |
| N2 | C10 | C9 | H9 | 121.0° | 119.9° |
| N2 | C10 | C9 | C8 | 147.8° | 64.5° |
| N2 | C10 | C9 | H7 | 31.1° | 55.5° |
| N2 | C10 | H8 | H9 | 116.7° | 120.0° |
| C10 | N2 | C11 | H11 | 40.4° | 62.5° |
| C10 | N2 | C11 | H12 | 80.4° | 57.6° |
| C10 | N2 | C14 | H17 | 78.2° | 57.6° |
| C10 | N2 | C14 | H18 | 42.3° | 62.5° |
| C10 | C9 | C8 | H7 | 116.6° | 119.9° |
| C10 | C9 | C8 | C7 | 107.0° | 100.0° |
| C10 | C9 | C8 | C60 | 71.5° | 80.1° |
| C9 | C10 | H8 | H9 | 116.7° | 119.9° |
| C10 | C9 | N3 | H19 | 27.6° | 95.5° |
| C9 | C8 | C7 | C60 | 178.5° | 179.9° |
| C9 | C8 | C7 | C6 | 179.5° | 180.0° |
| C9 | C8 | C60 | C61 | 179.2° | 179.8° |
| C9 | C8 | C7 | H6 | 0.5° | 0.1° |
| C8 | C9 | C10 | H8 | 26.7° | 175.4° |
| C8 | C9 | C10 | H9 | 91.2° | 55.5° |
| C8 | C9 | N3 | H19 | 94.9° | 24.5° |
| C9 | C8 | C60 | H76 | 0.8° | 0.1° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C7 | C8 | C60 | C61 | 2.2° | 0.1° |
| C8 | C7 | C6 | C5 | 1.0° | 0.0° |
| C8 | C7 | C6 | H5 | 179.0° | 179.9° |
| C7 | C8 | C9 | H7 | 136.4° | 19.9° |
| C7 | C8 | C60 | H76 | 177.8° | 180.0° |
| C60 | C8 | C7 | C6 | 2.0° | 0.1° |
| C8 | C60 | C61 | H76 | 180.0° | 179.9° |
| C8 | C60 | C61 | C5 | 1.5° | 0.4° |
| C60 | C8 | C7 | H6 | 178.0° | 180.0° |
| C60 | C8 | C9 | H7 | 45.1° | 160.0° |
| C8 | C60 | C61 | H77 | 178.5° | 180.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C61 | 0.2° | 0.3° |
| C7 | C6 | C5 | C4 | 178.0° | 179.9° |
| C60 | C61 | C5 | C6 | 0.5° | 0.5° |
| C60 | C61 | C5 | H77 | 180.0° | 179.6° |
| C60 | C61 | C5 | C4 | 177.8° | 179.8° |
| C6 | C5 | C61 | C4 | 178.2° | 179.7° |
| C6 | C5 | C4 | S1 | 35.0° | 134.2° |
| C6 | C5 | C4 | C2 | 141.2° | 45.5° |
| C5 | C6 | C7 | H6 | 179.0° | 179.9° |
| C6 | C5 | C61 | H77 | 179.5° | 179.9° |
| C61 | C5 | C4 | S1 | 146.9° | 45.5° |
| C61 | C5 | C4 | C2 | 37.0° | 134.8° |
| C61 | C5 | C6 | H5 | 179.8° | 179.8° |
| C5 | C61 | C60 | H76 | 178.5° | 179.7° |
| C5 | C4 | S1 | C2 | 177.0° | 179.7° |
| C5 | C4 | S1 | C3 | 179.3° | 180.0° |
| C5 | C4 | C2 | C1 | 2.0° | 0.2° |
| C5 | C4 | C2 | N1 | 179.2° | 179.9° |
| C4 | C5 | C6 | H5 | 2.0° | 0.1° |
| C4 | C5 | C61 | H77 | 2.2° | 0.3° |
| S1 | C4 | C2 | C1 | 178.6° | 179.9° |
| S1 | C4 | C2 | N1 | 2.6° | 0.4° |
| C4 | S1 | C3 | N1 | 1.6° | 0.2° |
| C4 | S1 | C3 | H4 | 178.4° | 179.9° |
| C2 | C4 | S1 | C3 | 2.3° | 0.3° |
| C4 | C2 | C1 | N1 | 178.9° | 179.7° |
| C4 | C2 | N1 | C3 | 1.6° | 0.2° |
| C4 | C2 | C1 | H1 | 178.8° | 93.7° |
| C4 | C2 | C1 | H2 | 58.9° | 26.3° |
| C4 | C2 | C1 | H3 | 61.1° | 146.3° |
| S1 | C3 | N1 | C2 | 0.3° | 0.0° |
| S1 | C3 | N1 | H4 | 180.0° | 179.9° |
| C1 | C2 | N1 | C3 | 179.4° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C1 | H1 | 0.0° | 86.6° |
| N1 | C2 | C1 | H2 | 120.0° | 153.4° |
| N1 | C2 | C1 | H3 | 120.0° | 33.4° |
| C2 | N1 | C3 | H4 | 179.7° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C6 | C7 | H6 | 1.0° | 0.0° |
| H7 | C9 | C10 | H8 | 90.0° | 64.6° |
| H7 | C9 | C10 | H9 | 152.1° | 175.5° |
| H7 | C9 | N3 | H19 | 144.3° | 144.5° |
| H11 | C11 | C12 | H13 | 57.0° | 56.9° |
| H11 | C11 | C12 | H14 | 62.1° | 177.0° |
| H12 | C11 | C12 | H13 | 177.8° | 63.2° |
| H12 | C11 | C12 | H14 | 58.7° | 56.9° |
| H15 | C13 | C14 | H17 | 58.4° | 63.3° |
| H15 | C13 | C14 | H18 | 62.1° | 56.8° |
| H16 | C13 | C14 | H17 | 177.8° | 56.9° |
| H16 | C13 | C14 | H18 | 57.2° | 177.0° |
| H20 | C16 | C17 | H21 | 21.1° | 99.9° |
| H20 | C16 | C17 | H22 | 142.2° | 23.2° |
| H21 | C17 | C18 | H23 | 87.3° | 35.8° |
| H22 | C17 | C18 | H23 | 33.9° | 159.0° |
| H23 | C18 | O3 | H24 | 55.1° | 56.2° |
| H23 | C18 | C19 | H25 | 84.2° | 37.8° |
| H23 | C18 | C19 | H26 | 38.3° | 160.0° |
| H29 | C24 | C25 | H30 | 32.4° | 179.9° |
| H29 | C24 | C25 | H31 | 86.5° | 60.0° |
| H29 | C24 | C55 | H65 | 85.3° | 60.0° |
| H29 | C24 | C55 | H66 | 33.4° | 180.0° |
| H30 | C25 | C26 | H32 | 51.2° | 60.0° |
| H30 | C25 | C26 | H33 | 170.3° | 179.9° |
| H31 | C25 | C26 | H32 | 67.6° | 60.0° |
| H31 | C25 | C26 | H33 | 51.5° | 60.0° |
| H32 | C26 | C27 | H34 | 64.8° | 60.0° |
| H33 | C26 | C27 | H34 | 54.3° | 179.9° |
| H34 | C27 | C28 | H35 | 150.3° | 65.0° |
| H34 | C27 | C28 | H36 | 90.7° | 175.0° |
| H34 | C27 | C54 | H63 | 54.6° | 60.1° |
| H34 | C27 | C54 | H64 | 64.9° | 179.9° |
| H38 | C29 | C30 | H40 | 52.4° | 59.2° |
| H38 | C29 | C30 | H41 | 66.7° | 179.2° |
| H39 | C29 | C30 | H40 | 171.7° | 60.8° |
| H39 | C29 | C30 | H41 | 52.6° | 59.2° |
| H40 | C30 | C31 | H42 | 173.2° | 57.7° |
| H41 | C30 | C31 | H42 | 54.1° | 177.8° |
| H42 | C31 | C52 | H59 | 58.1° | 57.7° |
| H42 | C31 | C52 | H60 | 178.1° | 177.8° |
| H43 | C33 | C34 | H44 | 0.0° | 0.1° |
| H46 | C42 | C43 | H47 | 0.8° | 0.1° |
| H47 | C43 | C44 | H48 | 0.2° | 0.0° |
| H49 | C47 | C48 | H51 | 46.4° | 59.2° |
| H49 | C47 | C48 | H52 | 166.0° | 179.3° |
| H50 | C47 | C48 | H51 | 71.8° | 60.7° |
| H50 | C47 | C48 | H52 | 47.8° | 59.3° |
| H51 | C48 | C49 | H53 | 61.7° | 60.4° |
| H51 | C48 | C49 | H54 | 58.4° | 59.6° |
| H52 | C48 | C49 | H53 | 178.8° | 179.6° |
| H52 | C48 | C49 | H54 | 61.2° | 60.4° |
| H53 | C49 | C50 | H55 | 175.3° | 60.4° |
| H53 | C49 | C50 | H56 | 64.8° | 179.7° |
| H54 | C49 | C50 | H55 | 64.7° | 59.6° |
| H54 | C49 | C50 | H56 | 55.2° | 60.3° |
| H55 | C50 | C51 | H57 | 54.3° | 60.8° |
| H55 | C50 | C51 | H58 | 172.8° | 59.2° |
| H56 | C50 | C51 | H57 | 65.6° | 59.2° |
| H56 | C50 | C51 | H58 | 52.9° | 179.2° |
| H59 | C52 | C53 | H61 | 62.6° | 60.9° |
| H59 | C52 | C53 | H62 | 57.0° | 59.1° |
| H60 | C52 | C53 | H61 | 177.5° | 59.2° |
| H60 | C52 | C53 | H62 | 63.0° | 179.2° |
| H63 | C54 | C55 | H65 | 53.0° | 59.9° |
| H63 | C54 | C55 | H66 | 171.7° | 60.0° |
| H64 | C54 | C55 | H65 | 66.5° | 60.0° |
| H64 | C54 | C55 | H66 | 52.2° | 180.0° |
| H67 | C57 | H68 | H69 | 120.0° | 120.0° |
| H70 | C58 | H71 | H72 | 120.0° | 120.0° |
| H73 | C59 | H74 | H75 | 120.0° | 120.0° |
| H76 | C60 | C61 | H77 | 1.5° | 0.1° |
