9ZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | N35 | sing | 1.47Å | 1.50Å | |
| C37 | N35 | sing | 1.47Å | 1.50Å | |
| N35 | C34 | sing | 1.47Å | 1.52Å | |
| N35 | C36 | sing | 1.47Å | 1.50Å | |
| O30 | P29 | doub | 1.48Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | O32 | sing | 1.43Å | 1.45Å | |
| O31 | P29 | sing | 1.61Å | 1.48Å | |
| O32 | P29 | sing | 1.61Å | 1.59Å | |
| P29 | O28 | sing | 1.61Å | 1.59Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O39 | sing | 1.45Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| O39 | C40 | sing | 1.34Å | 1.35Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C40 | C42 | sing | 1.51Å | 1.50Å | |
| C40 | O41 | doub | 1.21Å | 1.19Å | |
| C25 | O24 | sing | 1.45Å | 1.44Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| O24 | C22 | sing | 1.34Å | 1.33Å | |
| C45 | C46 | sing | 1.53Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C22 | O23 | doub | 1.21Å | 1.20Å | |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C48 | C49 | sing | 1.51Å | 1.48Å | |
| C49 | C50 | doub | 1.31Å | 1.31Å | |
| C51 | C50 | sing | 1.51Å | 1.48Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C52 | C53 | sing | 1.53Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C53 | C54 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C54 | C55 | sing | 1.53Å | 1.49Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C55 | C56 | sing | 1.53Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.51Å | 1.47Å | |
| C10 | C9 | doub | 1.31Å | 1.30Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| O31 | H25 | sing | 0.97Å | 0.95Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.08Å | 1.08Å | |
| C16 | H40 | sing | 1.09Å | 1.10Å | |
| C16 | H41 | sing | 1.09Å | 1.10Å | |
| C17 | H42 | sing | 1.09Å | 1.10Å | |
| C17 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.09Å | 1.10Å | |
| C4 | H50 | sing | 1.09Å | 1.10Å | |
| C4 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C43 | 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 | |
| C47 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | H66 | sing | 1.08Å | 1.08Å | |
| C5 | H67 | sing | 1.09Å | 1.10Å | |
| C5 | H68 | sing | 1.09Å | 1.10Å | |
| C50 | H69 | sing | 1.08Å | 1.08Å | |
| C51 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C52 | H73 | sing | 1.09Å | 1.10Å | |
| C53 | H74 | sing | 1.09Å | 1.10Å | |
| C53 | H75 | sing | 1.09Å | 1.10Å | |
| C54 | H76 | sing | 1.09Å | 1.10Å | |
| C54 | H77 | sing | 1.09Å | 1.10Å | |
| C55 | H78 | sing | 1.09Å | 1.10Å | |
| C55 | H79 | sing | 1.09Å | 1.10Å | |
| C56 | H80 | sing | 1.09Å | 1.10Å | |
| C56 | H81 | sing | 1.09Å | 1.10Å | |
| C56 | H82 | sing | 1.09Å | 1.10Å | |
| C6 | H83 | sing | 1.09Å | 1.10Å | |
| C6 | H84 | sing | 1.09Å | 1.10Å | |
| C7 | H85 | sing | 1.09Å | 1.10Å | |
| C7 | H86 | sing | 1.09Å | 1.10Å | |
| C8 | H87 | sing | 1.09Å | 1.10Å | |
| C8 | H88 | sing | 1.09Å | 1.10Å | |
| C9 | H89 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | N35 | C37 | 108.8° | 109.5° |
| C38 | N35 | C34 | 110.7° | 109.5° |
| C38 | N35 | C36 | 108.9° | 109.5° |
| N35 | C38 | H36 | 109.5° | 109.5° |
| N35 | C38 | H37 | 109.5° | 109.5° |
| N35 | C38 | H38 | 109.5° | 109.5° |
| C37 | N35 | C34 | 111.6° | 109.5° |
| C37 | N35 | C36 | 108.4° | 109.5° |
| N35 | C37 | H33 | 109.5° | 109.5° |
| N35 | C37 | H34 | 109.5° | 109.5° |
| N35 | C37 | H35 | 109.5° | 109.4° |
| C34 | N35 | C36 | 108.4° | 109.4° |
| N35 | C34 | C33 | 116.9° | 109.5° |
| N35 | C34 | H28 | 107.6° | 109.5° |
| N35 | C34 | H29 | 107.6° | 109.5° |
| N35 | C36 | H30 | 109.5° | 109.4° |
| N35 | C36 | H31 | 109.4° | 109.5° |
| N35 | C36 | H32 | 109.5° | 109.5° |
| O30 | P29 | O31 | 118.9° | 109.5° |
| O30 | P29 | O32 | 108.0° | 109.5° |
| O30 | P29 | O28 | 110.8° | 109.4° |
| C34 | C33 | O32 | 109.8° | 109.5° |
| C34 | C33 | H26 | 109.4° | 109.5° |
| C34 | C33 | H27 | 109.4° | 109.5° |
| C33 | C34 | H28 | 107.6° | 109.5° |
| C33 | C34 | H29 | 107.6° | 109.4° |
| C33 | O32 | P29 | 118.7° | 123.0° |
| O32 | C33 | H26 | 109.4° | 109.5° |
| O32 | C33 | H27 | 109.4° | 109.5° |
| O31 | P29 | O32 | 108.6° | 109.5° |
| O31 | P29 | O28 | 109.3° | 109.5° |
| P29 | O31 | H25 | 109.5° | 114.0° |
| O32 | P29 | O28 | 99.4° | 109.4° |
| P29 | O28 | C27 | 121.5° | 123.0° |
| O28 | C27 | C26 | 113.5° | 109.5° |
| O28 | C27 | H23 | 108.4° | 109.5° |
| O28 | C27 | H24 | 108.5° | 109.5° |
| C27 | C26 | O39 | 112.4° | 109.5° |
| C27 | C26 | C25 | 110.4° | 109.5° |
| C27 | C26 | H22 | 106.8° | 109.5° |
| C26 | C27 | H23 | 108.5° | 109.5° |
| C26 | C27 | H24 | 108.5° | 109.5° |
| O39 | C26 | C25 | 112.5° | 109.4° |
| C26 | O39 | C40 | 120.4° | 117.0° |
| O39 | C26 | H22 | 107.4° | 109.5° |
| C26 | C25 | O24 | 110.7° | 109.5° |
| C26 | C25 | H20 | 109.1° | 109.5° |
| C26 | C25 | H21 | 109.1° | 109.5° |
| C25 | C26 | H22 | 106.9° | 109.5° |
| O39 | C40 | C42 | 111.6° | 120.0° |
| O39 | C40 | O41 | 124.2° | 119.9° |
| C42 | C43 | C44 | 113.6° | 109.4° |
| C43 | C42 | C40 | 112.8° | 109.4° |
| C43 | C42 | H52 | 108.6° | 109.5° |
| C43 | C42 | H53 | 108.6° | 109.5° |
| C42 | C43 | H54 | 108.4° | 109.5° |
| C42 | C43 | H55 | 108.4° | 109.5° |
| C43 | C44 | C45 | 115.7° | 109.4° |
| C44 | C43 | H54 | 108.4° | 109.5° |
| C44 | C43 | H55 | 108.4° | 109.5° |
| C43 | C44 | H56 | 107.9° | 109.5° |
| C43 | C44 | H57 | 107.9° | 109.5° |
| C42 | C40 | O41 | 124.1° | 120.1° |
| C40 | C42 | H52 | 108.6° | 109.5° |
| C40 | C42 | H53 | 108.6° | 109.4° |
| C25 | O24 | C22 | 116.2° | 117.0° |
| O24 | C25 | H20 | 109.2° | 109.5° |
| O24 | C25 | H21 | 109.2° | 109.4° |
| C44 | C45 | C46 | 113.0° | 109.4° |
| C45 | C44 | H56 | 107.9° | 109.5° |
| C45 | C44 | H57 | 107.9° | 109.5° |
| C44 | C45 | H58 | 108.6° | 109.5° |
| C44 | C45 | H59 | 108.6° | 109.5° |
| O24 | C22 | O23 | 124.2° | 120.0° |
| O24 | C22 | C21 | 110.7° | 120.0° |
| C45 | C46 | C47 | 114.8° | 109.4° |
| C46 | C45 | H58 | 108.6° | 109.5° |
| C46 | C45 | H59 | 108.6° | 109.4° |
| C45 | C46 | H60 | 108.1° | 109.5° |
| C45 | C46 | H61 | 108.1° | 109.5° |
| C46 | C47 | C48 | 115.9° | 109.4° |
| C47 | C46 | H60 | 108.1° | 109.5° |
| C47 | C46 | H61 | 108.1° | 109.5° |
| C46 | C47 | H62 | 107.9° | 109.5° |
| C46 | C47 | H63 | 107.8° | 109.5° |
| O23 | C22 | C21 | 125.1° | 120.0° |
| C22 | C21 | C20 | 112.2° | 109.5° |
| C22 | C21 | H18 | 108.8° | 109.5° |
| C22 | C21 | H19 | 108.8° | 109.5° |
| C47 | C48 | C49 | 114.6° | 109.5° |
| C48 | C47 | H62 | 107.8° | 109.5° |
| C48 | C47 | H63 | 107.9° | 109.5° |
| C47 | C48 | H64 | 108.2° | 109.5° |
| C47 | C48 | H65 | 108.2° | 109.5° |
| C48 | C49 | C50 | 127.2° | 120.0° |
| C49 | C48 | H64 | 108.2° | 109.5° |
| C49 | C48 | H65 | 108.2° | 109.5° |
| C48 | C49 | H66 | 116.4° | 120.0° |
| C49 | C50 | C51 | 127.3° | 120.0° |
| C50 | C49 | H66 | 116.4° | 120.0° |
| C49 | C50 | H69 | 116.4° | 120.0° |
| C50 | C51 | C52 | 114.1° | 109.5° |
| C51 | C50 | H69 | 116.3° | 119.9° |
| C50 | C51 | H70 | 108.3° | 109.5° |
| C50 | C51 | H71 | 108.3° | 109.4° |
| C51 | C52 | C53 | 113.2° | 109.5° |
| C52 | C51 | H70 | 108.3° | 109.5° |
| C52 | C51 | H71 | 108.3° | 109.4° |
| C51 | C52 | H72 | 108.5° | 109.5° |
| C51 | C52 | H73 | 108.5° | 109.5° |
| C21 | C20 | C19 | 112.5° | 109.4° |
| C20 | C21 | H18 | 108.8° | 109.5° |
| C20 | C21 | H19 | 108.8° | 109.4° |
| C21 | C20 | H48 | 108.7° | 109.5° |
| C21 | C20 | H49 | 108.7° | 109.4° |
| C52 | C53 | C54 | 114.4° | 109.4° |
| C53 | C52 | H72 | 108.5° | 109.5° |
| C53 | C52 | H73 | 108.5° | 109.5° |
| C52 | C53 | H74 | 108.2° | 109.5° |
| C52 | C53 | H75 | 108.2° | 109.5° |
| C20 | C19 | C18 | 114.3° | 109.4° |
| C20 | C19 | H46 | 108.2° | 109.5° |
| C20 | C19 | H47 | 108.2° | 109.5° |
| C19 | C20 | H48 | 108.7° | 109.5° |
| C19 | C20 | H49 | 108.7° | 109.5° |
| C19 | C18 | C17 | 114.6° | 109.5° |
| C19 | C18 | H44 | 108.2° | 109.5° |
| C19 | C18 | H45 | 108.2° | 109.5° |
| C18 | C19 | H46 | 108.3° | 109.5° |
| C18 | C19 | H47 | 108.2° | 109.5° |
| C53 | C54 | C55 | 112.8° | 109.5° |
| C54 | C53 | H74 | 108.2° | 109.5° |
| C54 | C53 | H75 | 108.2° | 109.5° |
| C53 | C54 | H76 | 108.6° | 109.5° |
| C53 | C54 | H77 | 108.6° | 109.5° |
| C18 | C17 | C16 | 114.1° | 109.5° |
| C18 | C17 | H42 | 108.3° | 109.5° |
| C18 | C17 | H43 | 108.3° | 109.5° |
| C17 | C18 | H44 | 108.2° | 109.5° |
| C17 | C18 | H45 | 108.2° | 109.5° |
| C54 | C55 | C56 | 113.0° | 109.5° |
| C55 | C54 | H76 | 108.7° | 109.4° |
| C55 | C54 | H77 | 108.6° | 109.5° |
| C54 | C55 | H78 | 108.6° | 109.4° |
| C54 | C55 | H79 | 108.6° | 109.5° |
| C17 | C16 | C15 | 115.3° | 109.5° |
| C17 | C16 | H40 | 108.0° | 109.5° |
| C17 | C16 | H41 | 108.0° | 109.4° |
| C16 | C17 | H42 | 108.3° | 109.5° |
| C16 | C17 | H43 | 108.3° | 109.4° |
| C56 | C55 | H78 | 108.6° | 109.5° |
| C56 | C55 | H79 | 108.6° | 109.5° |
| C55 | C56 | H80 | 109.5° | 109.4° |
| C55 | C56 | H81 | 109.5° | 109.5° |
| C55 | C56 | H82 | 109.5° | 109.5° |
| C16 | C15 | C14 | 115.6° | 109.5° |
| C16 | C15 | H16 | 107.9° | 109.5° |
| C16 | C15 | H17 | 107.9° | 109.4° |
| C15 | C16 | H40 | 108.0° | 109.5° |
| C15 | C16 | H41 | 108.0° | 109.5° |
| C15 | C14 | C13 | 116.1° | 109.4° |
| C15 | C14 | H14 | 107.8° | 109.5° |
| C15 | C14 | H15 | 107.8° | 109.5° |
| C14 | C15 | H16 | 107.9° | 109.5° |
| C14 | C15 | H17 | 107.9° | 109.5° |
| C14 | C13 | C12 | 114.9° | 109.4° |
| C14 | C13 | H12 | 108.1° | 109.5° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C13 | C14 | H14 | 107.8° | 109.5° |
| C13 | C14 | H15 | 107.8° | 109.5° |
| C13 | C12 | C11 | 114.8° | 109.5° |
| C13 | C12 | H10 | 108.1° | 109.5° |
| C13 | C12 | H11 | 108.1° | 109.5° |
| C12 | C13 | H12 | 108.1° | 109.5° |
| C12 | C13 | H13 | 108.1° | 109.5° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | H8 | 108.4° | 109.5° |
| C12 | C11 | H9 | 108.4° | 109.5° |
| C11 | C12 | H10 | 108.1° | 109.5° |
| C11 | C12 | H11 | 108.1° | 109.4° |
| C1 | C2 | C3 | 114.4° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.2° | 109.5° |
| C1 | C2 | H5 | 108.2° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.4° |
| C3 | C2 | H4 | 108.2° | 109.5° |
| C3 | C2 | H5 | 108.2° | 109.5° |
| C2 | C3 | H6 | 108.6° | 109.5° |
| C2 | C3 | H7 | 108.6° | 109.5° |
| C11 | C10 | C9 | 125.7° | 120.0° |
| C10 | C11 | H8 | 108.4° | 109.4° |
| C10 | C11 | H9 | 108.4° | 109.5° |
| C11 | C10 | H39 | 117.1° | 120.0° |
| C10 | C9 | C8 | 126.0° | 119.9° |
| C9 | C10 | H39 | 117.1° | 120.0° |
| C10 | C9 | H89 | 117.0° | 120.0° |
| C3 | C4 | C5 | 114.0° | 109.4° |
| C4 | C3 | H6 | 108.6° | 109.5° |
| C4 | C3 | H7 | 108.6° | 109.5° |
| C3 | C4 | H50 | 108.3° | 109.5° |
| C3 | C4 | H51 | 108.3° | 109.5° |
| C9 | C8 | C7 | 113.8° | 109.4° |
| C9 | C8 | H87 | 108.4° | 109.5° |
| C9 | C8 | H88 | 108.4° | 109.4° |
| C8 | C9 | H89 | 117.0° | 120.0° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C5 | C4 | H50 | 108.3° | 109.4° |
| C5 | C4 | H51 | 108.4° | 109.5° |
| C4 | C5 | H67 | 108.2° | 109.4° |
| C4 | C5 | H68 | 108.2° | 109.5° |
| C8 | C7 | C6 | 115.3° | 109.5° |
| C8 | C7 | H85 | 108.0° | 109.5° |
| C8 | C7 | H86 | 108.0° | 109.4° |
| C7 | C8 | H87 | 108.4° | 109.5° |
| C7 | C8 | H88 | 108.4° | 109.5° |
| C5 | C6 | C7 | 114.8° | 109.5° |
| C6 | C5 | H67 | 108.2° | 109.5° |
| C6 | C5 | H68 | 108.2° | 109.5° |
| C5 | C6 | H83 | 108.1° | 109.5° |
| C5 | C6 | H84 | 108.1° | 109.5° |
| C7 | C6 | H83 | 108.1° | 109.5° |
| C7 | C6 | H84 | 108.1° | 109.5° |
| C6 | C7 | H85 | 108.0° | 109.4° |
| C6 | C7 | H86 | 108.0° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
| H26 | C33 | H27 | 109.5° | 109.4° |
| H28 | C34 | H29 | 109.4° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H30 | C36 | H32 | 109.4° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H33 | C37 | H34 | 109.5° | 109.5° |
| H33 | C37 | H35 | 109.5° | 109.4° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H36 | C38 | H37 | 109.5° | 109.4° |
| H36 | C38 | H38 | 109.5° | 109.4° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H40 | C16 | H41 | 109.5° | 109.4° |
| H42 | C17 | H43 | 109.5° | 109.5° |
| H44 | C18 | H45 | 109.5° | 109.4° |
| H46 | C19 | H47 | 109.5° | 109.5° |
| H48 | C20 | H49 | 109.5° | 109.5° |
| H50 | C4 | H51 | 109.5° | 109.5° |
| H52 | C42 | H53 | 109.5° | 109.5° |
| H54 | C43 | H55 | 109.5° | 109.5° |
| H56 | C44 | H57 | 109.5° | 109.5° |
| H58 | C45 | H59 | 109.5° | 109.5° |
| H60 | C46 | H61 | 109.4° | 109.5° |
| H62 | C47 | H63 | 109.4° | 109.5° |
| H64 | C48 | H65 | 109.5° | 109.5° |
| H67 | C5 | H68 | 109.5° | 109.5° |
| H70 | C51 | H71 | 109.5° | 109.5° |
| H72 | C52 | H73 | 109.5° | 109.4° |
| H74 | C53 | H75 | 109.5° | 109.5° |
| H76 | C54 | H77 | 109.4° | 109.4° |
| H78 | C55 | H79 | 109.4° | 109.4° |
| H80 | C56 | H81 | 109.5° | 109.5° |
| H80 | C56 | H82 | 109.4° | 109.5° |
| H81 | C56 | H82 | 109.5° | 109.5° |
| H83 | C6 | H84 | 109.5° | 109.4° |
| H85 | C7 | H86 | 109.5° | 109.5° |
| H87 | C8 | H88 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | N35 | C37 | C34 | 122.5° | 120.0° |
| C38 | N35 | C37 | C36 | 118.3° | 120.0° |
| C38 | N35 | C34 | C36 | 119.3° | 120.0° |
| C38 | N35 | C34 | C33 | 55.3° | 174.7° |
| C38 | N35 | C34 | H28 | 176.4° | 65.3° |
| C38 | N35 | C34 | H29 | 65.8° | 54.7° |
| C38 | N35 | C36 | H30 | 180.0° | 49.3° |
| C38 | N35 | C36 | H31 | 60.0° | 70.7° |
| C38 | N35 | C36 | H32 | 60.0° | 169.3° |
| C38 | N35 | C37 | H33 | 180.0° | 59.9° |
| C38 | N35 | C37 | H34 | 60.0° | 180.0° |
| C38 | N35 | C37 | H35 | 60.0° | 60.0° |
| N35 | C38 | H36 | H37 | 120.0° | 120.0° |
| N35 | C38 | H36 | H38 | 120.0° | 120.0° |
| N35 | C38 | H37 | H38 | 120.0° | 120.1° |
| C37 | N35 | C34 | C36 | 119.3° | 120.0° |
| C37 | N35 | C34 | C33 | 66.1° | 65.2° |
| C37 | N35 | C34 | H28 | 55.0° | 54.7° |
| C37 | N35 | C34 | H29 | 172.8° | 174.8° |
| C37 | N35 | C36 | H30 | 61.8° | 70.7° |
| C37 | N35 | C36 | H31 | 58.2° | 169.3° |
| C37 | N35 | C36 | H32 | 178.3° | 49.3° |
| N35 | C37 | H33 | H34 | 120.0° | 120.0° |
| N35 | C37 | H33 | H35 | 120.0° | 119.9° |
| N35 | C37 | H34 | H35 | 120.0° | 120.0° |
| C37 | N35 | C38 | H36 | 180.0° | 60.0° |
| C37 | N35 | C38 | H37 | 60.0° | 180.0° |
| C37 | N35 | C38 | H38 | 60.0° | 60.0° |
| N35 | C34 | C33 | H28 | 121.1° | 120.0° |
| N35 | C34 | C33 | H29 | 121.1° | 120.0° |
| N35 | C34 | C33 | O32 | 140.9° | 71.1° |
| N35 | C34 | C33 | H26 | 99.0° | 48.9° |
| N35 | C34 | C33 | H27 | 20.9° | 168.8° |
| N35 | C34 | H28 | H29 | 116.6° | 120.1° |
| C34 | N35 | C36 | H30 | 59.5° | 169.3° |
| C34 | N35 | C36 | H31 | 179.5° | 49.3° |
| C34 | N35 | C36 | H32 | 60.5° | 70.7° |
| C34 | N35 | C37 | H33 | 57.6° | 180.0° |
| C34 | N35 | C37 | H34 | 62.4° | 60.0° |
| C34 | N35 | C37 | H35 | 177.6° | 60.0° |
| C34 | N35 | C38 | H36 | 57.0° | 60.0° |
| C34 | N35 | C38 | H37 | 177.0° | 60.0° |
| C34 | N35 | C38 | H38 | 63.0° | 180.0° |
| C36 | N35 | C34 | C33 | 174.6° | 54.7° |
| C36 | N35 | C34 | H28 | 64.3° | 174.7° |
| C36 | N35 | C34 | H29 | 53.5° | 65.2° |
| N35 | C36 | H30 | H31 | 120.0° | 120.0° |
| N35 | C36 | H30 | H32 | 120.0° | 120.0° |
| N35 | C36 | H31 | H32 | 120.0° | 120.0° |
| C36 | N35 | C37 | H33 | 61.7° | 60.1° |
| C36 | N35 | C37 | H34 | 178.3° | 60.0° |
| C36 | N35 | C37 | H35 | 58.3° | 180.0° |
| C36 | N35 | C38 | H36 | 62.0° | 180.0° |
| C36 | N35 | C38 | H37 | 58.0° | 60.0° |
| C36 | N35 | C38 | H38 | 177.9° | 60.1° |
| O30 | P29 | O32 | C33 | 96.5° | 55.0° |
| O30 | P29 | O31 | O32 | 124.0° | 120.0° |
| O30 | P29 | O31 | O28 | 128.6° | 120.0° |
| O30 | P29 | O32 | O28 | 115.7° | 119.9° |
| O30 | P29 | O28 | C27 | 21.0° | 55.0° |
| O30 | P29 | O31 | H25 | 0.0° | 180.0° |
| C34 | C33 | O32 | H26 | 120.0° | 120.0° |
| C34 | C33 | O32 | H27 | 120.1° | 120.1° |
| C34 | C33 | O32 | P29 | 77.2° | 180.0° |
| C34 | C33 | H26 | H27 | 119.8° | 120.0° |
| C33 | C34 | H28 | H29 | 116.6° | 119.9° |
| C33 | O32 | P29 | O31 | 33.7° | 65.0° |
| C33 | O32 | P29 | O28 | 147.8° | 175.0° |
| O32 | C33 | H26 | H27 | 119.8° | 120.0° |
| O32 | C33 | C34 | H28 | 19.9° | 168.9° |
| O32 | C33 | C34 | H29 | 98.0° | 48.9° |
| O31 | P29 | O32 | O28 | 114.1° | 120.0° |
| O31 | P29 | O28 | C27 | 153.9° | 65.0° |
| O32 | P29 | O28 | C27 | 92.5° | 175.0° |
| O32 | P29 | O31 | H25 | 123.9° | 60.0° |
| P29 | O32 | C33 | H26 | 162.7° | 60.0° |
| P29 | O32 | C33 | H27 | 42.8° | 60.0° |
| P29 | O28 | C27 | C26 | 131.2° | 180.0° |
| P29 | O28 | C27 | H23 | 10.6° | 59.9° |
| P29 | O28 | C27 | H24 | 108.2° | 60.0° |
| O28 | P29 | O31 | H25 | 128.6° | 60.0° |
| O28 | C27 | C26 | H23 | 120.6° | 120.0° |
| O28 | C27 | C26 | H24 | 120.6° | 120.0° |
| O28 | C27 | C26 | O39 | 26.2° | 65.0° |
| O28 | C27 | C26 | C25 | 100.2° | 55.0° |
| O28 | C27 | C26 | H22 | 143.8° | 175.0° |
| O28 | C27 | H23 | H24 | 118.2° | 119.9° |
| C27 | C26 | O39 | C25 | 125.3° | 119.9° |
| C27 | C26 | O39 | H22 | 117.3° | 120.0° |
| C27 | C26 | C25 | H22 | 115.9° | 120.0° |
| C27 | C26 | O39 | C40 | 73.5° | 90.0° |
| C27 | C26 | C25 | O24 | 153.9° | 54.9° |
| C27 | C26 | C25 | H20 | 86.0° | 175.0° |
| C27 | C26 | C25 | H21 | 33.7° | 65.0° |
| C26 | C27 | H23 | H24 | 118.2° | 120.0° |
| O39 | C26 | C25 | H22 | 117.7° | 120.0° |
| C26 | O39 | C40 | C42 | 178.7° | 180.0° |
| C26 | O39 | C40 | O41 | 0.2° | 0.0° |
| O39 | C26 | C25 | O24 | 27.4° | 65.0° |
| O39 | C26 | C25 | H20 | 147.6° | 55.1° |
| O39 | C26 | C25 | H21 | 92.8° | 175.0° |
| O39 | C26 | C27 | H23 | 94.4° | 175.0° |
| O39 | C26 | C27 | H24 | 146.8° | 55.0° |
| C25 | C26 | O39 | C40 | 51.8° | 150.0° |
| C26 | C25 | O24 | H20 | 120.2° | 120.0° |
| C26 | C25 | O24 | H21 | 120.2° | 120.0° |
| C26 | C25 | O24 | C22 | 159.6° | 180.0° |
| C26 | C25 | H20 | H21 | 119.4° | 120.0° |
| C25 | C26 | C27 | H23 | 139.2° | 65.1° |
| C25 | C26 | C27 | H24 | 20.4° | 175.0° |
| O39 | C40 | C42 | C43 | 134.8° | 180.0° |
| O39 | C40 | C42 | O41 | 179.0° | 179.9° |
| C40 | O39 | C26 | H22 | 169.2° | 30.0° |
| O39 | C40 | C42 | H52 | 104.8° | 60.0° |
| O39 | C40 | C42 | H53 | 14.3° | 60.0° |
| C42 | C43 | C44 | H54 | 120.6° | 120.0° |
| C42 | C43 | C44 | H55 | 120.6° | 120.0° |
| C43 | C42 | C40 | H52 | 120.5° | 120.0° |
| C43 | C42 | C40 | H53 | 120.5° | 120.0° |
| C43 | C42 | C40 | O41 | 44.2° | 0.0° |
| C42 | C43 | C44 | C45 | 57.6° | NaN° |
| C43 | C42 | H52 | H53 | 118.5° | 120.1° |
| C42 | C43 | H54 | H55 | 118.1° | 120.0° |
| C42 | C43 | C44 | H56 | 178.5° | 60.0° |
| C42 | C43 | C44 | H57 | 63.3° | 60.0° |
| C44 | C43 | C42 | C40 | 106.2° | 180.0° |
| C43 | C44 | C45 | H56 | 120.9° | 120.0° |
| C43 | C44 | C45 | H57 | 120.9° | 120.0° |
| C43 | C44 | C45 | C46 | 160.2° | 180.0° |
| C44 | C43 | C42 | H52 | 14.3° | 60.0° |
| C44 | C43 | C42 | H53 | 133.3° | 60.0° |
| C44 | C43 | H54 | H55 | 118.1° | 120.1° |
| C43 | C44 | H56 | H57 | 117.2° | 120.1° |
| C43 | C44 | C45 | H58 | 79.4° | 60.0° |
| C43 | C44 | C45 | H59 | 39.6° | 60.0° |
| C40 | C42 | H52 | H53 | 118.5° | 120.0° |
| C40 | C42 | C43 | H54 | 14.5° | 60.0° |
| C40 | C42 | C43 | H55 | 133.3° | 60.0° |
| O41 | C40 | C42 | H52 | 76.3° | 119.9° |
| O41 | C40 | C42 | H53 | 164.7° | 120.0° |
| C25 | O24 | C22 | O23 | 4.2° | 0.0° |
| C25 | O24 | C22 | C21 | 177.5° | 180.0° |
| O24 | C25 | H20 | H21 | 119.5° | 120.0° |
| O24 | C25 | C26 | H22 | 90.3° | 175.0° |
| C44 | C45 | C46 | H58 | 120.5° | 120.0° |
| C44 | C45 | C46 | H59 | 120.5° | 120.0° |
| C44 | C45 | C46 | C47 | 171.5° | 180.0° |
| C45 | C44 | C43 | H54 | 63.1° | 60.0° |
| C45 | C44 | C43 | H55 | 178.2° | 60.0° |
| C45 | C44 | H56 | H57 | 117.2° | 120.0° |
| C44 | C45 | H58 | H59 | 118.4° | 120.1° |
| C44 | C45 | C46 | H60 | 67.7° | 60.0° |
| C44 | C45 | C46 | H61 | 50.7° | 60.0° |
| O24 | C22 | O23 | C21 | 178.1° | 180.0° |
| O24 | C22 | C21 | C20 | 143.3° | 179.9° |
| O24 | C22 | C21 | H18 | 96.3° | 60.0° |
| O24 | C22 | C21 | H19 | 22.9° | 60.0° |
| C22 | O24 | C25 | H20 | 80.2° | 60.0° |
| C22 | O24 | C25 | H21 | 39.4° | 60.0° |
| C45 | C46 | C47 | H60 | 120.8° | 120.0° |
| C45 | C46 | C47 | H61 | 120.8° | 120.0° |
| C45 | C46 | C47 | C48 | 63.7° | 180.0° |
| C46 | C45 | C44 | H56 | 39.3° | 60.0° |
| C46 | C45 | C44 | H57 | 79.0° | 60.0° |
| C46 | C45 | H58 | H59 | 118.4° | 120.0° |
| C45 | C46 | H60 | H61 | 117.5° | 120.0° |
| C45 | C46 | C47 | H62 | 175.4° | 60.0° |
| C45 | C46 | C47 | H63 | 57.3° | 60.0° |
| C46 | C47 | C48 | H62 | 120.9° | 120.0° |
| C46 | C47 | C48 | H63 | 120.9° | 120.0° |
| C46 | C47 | C48 | C49 | 105.4° | 180.0° |
| C47 | C46 | C45 | H58 | 51.0° | 60.0° |
| C47 | C46 | C45 | H59 | 68.0° | 60.0° |
| C47 | C46 | H60 | H61 | 117.6° | 120.0° |
| C46 | C47 | H62 | H63 | 117.1° | 120.0° |
| C46 | C47 | C48 | H64 | 15.3° | 60.0° |
| C46 | C47 | C48 | H65 | 133.8° | 60.0° |
| O23 | C22 | C21 | C20 | 35.0° | 0.0° |
| O23 | C22 | C21 | H18 | 85.4° | 120.0° |
| O23 | C22 | C21 | H19 | 155.5° | 120.0° |
| C22 | C21 | C20 | H18 | 120.4° | 120.0° |
| C22 | C21 | C20 | H19 | 120.4° | 120.0° |
| C22 | C21 | C20 | C19 | 77.3° | 180.0° |
| C22 | C21 | H18 | H19 | 118.7° | 120.0° |
| C22 | C21 | C20 | H48 | 162.3° | 60.0° |
| C22 | C21 | C20 | H49 | 43.2° | 60.0° |
| C47 | C48 | C49 | H64 | 120.8° | 120.0° |
| C47 | C48 | C49 | H65 | 120.7° | 120.0° |
| C47 | C48 | C49 | C50 | 163.8° | 127.2° |
| C48 | C47 | C46 | H60 | 57.1° | 60.0° |
| C48 | C47 | C46 | H61 | 175.5° | 60.0° |
| C48 | C47 | H62 | H63 | 117.1° | 120.0° |
| C47 | C48 | H64 | H65 | 117.6° | 120.0° |
| C47 | C48 | C49 | H66 | 16.2° | 52.8° |
| C48 | C49 | C50 | H66 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 1.4° | 7.4° |
| C49 | C48 | C47 | H62 | 133.6° | 60.0° |
| C49 | C48 | C47 | H63 | 15.5° | 60.0° |
| C49 | C48 | H64 | H65 | 117.7° | 120.0° |
| C48 | C49 | C50 | H69 | 178.6° | 172.6° |
| C49 | C50 | C51 | H69 | 180.0° | 179.9° |
| C49 | C50 | C51 | C52 | 142.5° | 127.2° |
| C50 | C49 | C48 | H64 | 75.4° | 7.2° |
| C50 | C49 | C48 | H65 | 43.1° | 112.8° |
| C49 | C50 | C51 | H70 | 96.8° | 112.8° |
| C49 | C50 | C51 | H71 | 21.8° | 7.2° |
| C50 | C51 | C52 | H70 | 120.7° | 120.0° |
| C50 | C51 | C52 | H71 | 120.7° | 120.0° |
| C50 | C51 | C52 | C53 | 73.8° | 180.0° |
| C51 | C50 | C49 | H66 | 178.6° | 172.6° |
| C50 | C51 | H70 | H71 | 117.9° | 120.0° |
| C50 | C51 | C52 | H72 | 46.8° | 60.0° |
| C50 | C51 | C52 | H73 | 165.7° | 60.0° |
| C51 | C52 | C53 | H72 | 120.6° | 120.0° |
| C51 | C52 | C53 | H73 | 120.5° | 120.0° |
| C51 | C52 | C53 | C54 | 161.3° | 180.0° |
| C52 | C51 | C50 | H69 | 37.5° | 52.7° |
| C52 | C51 | H70 | H71 | 117.9° | 120.0° |
| C51 | C52 | H72 | H73 | 118.3° | 120.0° |
| C51 | C52 | C53 | H74 | 78.0° | 60.0° |
| C51 | C52 | C53 | H75 | 40.6° | 60.1° |
| C21 | C20 | C19 | H48 | 120.4° | 120.0° |
| C21 | C20 | C19 | H49 | 120.5° | 119.9° |
| C21 | C20 | C19 | C18 | 168.3° | 180.0° |
| C20 | C21 | H18 | H19 | 118.8° | 119.9° |
| C21 | C20 | C19 | H46 | 71.0° | 60.1° |
| C21 | C20 | C19 | H47 | 47.6° | 60.0° |
| C21 | C20 | H48 | H49 | 118.6° | 119.9° |
| C52 | C53 | C54 | H74 | 120.7° | 120.0° |
| C52 | C53 | C54 | H75 | 120.7° | 120.0° |
| C52 | C53 | C54 | C55 | 169.8° | 180.0° |
| C53 | C52 | C51 | H70 | 165.5° | 60.0° |
| C53 | C52 | C51 | H71 | 46.9° | 60.0° |
| C53 | C52 | H72 | H73 | 118.3° | 120.0° |
| C52 | C53 | H74 | H75 | 117.7° | 120.0° |
| C52 | C53 | C54 | H76 | 49.2° | 60.0° |
| C52 | C53 | C54 | H77 | 69.7° | 60.0° |
| C20 | C19 | C18 | H46 | 120.7° | 120.0° |
| C20 | C19 | C18 | H47 | 120.7° | 120.0° |
| C20 | C19 | C18 | C17 | 58.8° | 180.0° |
| C19 | C20 | C21 | H18 | 43.1° | 60.0° |
| C19 | C20 | C21 | H19 | 162.3° | 60.0° |
| C20 | C19 | C18 | H44 | 179.6° | 60.0° |
| C20 | C19 | C18 | H45 | 61.9° | 60.0° |
| C20 | C19 | H46 | H47 | 117.8° | 120.0° |
| C19 | C20 | H48 | H49 | 118.6° | 120.0° |
| C19 | C18 | C17 | H44 | 120.8° | 120.0° |
| C19 | C18 | C17 | H45 | 120.8° | 120.0° |
| C19 | C18 | C17 | C16 | 149.1° | 180.0° |
| C19 | C18 | C17 | H42 | 90.3° | 60.0° |
| C19 | C18 | C17 | H43 | 28.4° | 60.0° |
| C19 | C18 | H44 | H45 | 117.7° | 120.0° |
| C18 | C19 | H46 | H47 | 117.8° | 120.0° |
| C18 | C19 | C20 | H48 | 47.9° | 60.0° |
| C18 | C19 | C20 | H49 | 71.2° | 60.1° |
| C53 | C54 | C55 | H76 | 120.5° | 120.0° |
| C53 | C54 | C55 | H77 | 120.5° | 120.0° |
| C53 | C54 | C55 | C56 | 173.1° | 180.0° |
| C54 | C53 | C52 | H72 | 40.7° | 60.0° |
| C54 | C53 | C52 | H73 | 78.2° | 60.0° |
| C54 | C53 | H74 | H75 | 117.7° | 120.0° |
| C53 | C54 | H76 | H77 | 118.5° | 120.0° |
| C53 | C54 | C55 | H78 | 66.4° | 60.0° |
| C53 | C54 | C55 | H79 | 52.6° | 60.0° |
| C18 | C17 | C16 | H42 | 120.7° | 120.0° |
| C18 | C17 | C16 | H43 | 120.7° | 120.0° |
| C18 | C17 | C16 | C15 | 177.3° | 180.0° |
| C18 | C17 | C16 | H40 | 61.8° | 60.0° |
| C18 | C17 | C16 | H41 | 56.5° | 60.0° |
| C18 | C17 | H42 | H43 | 117.9° | 120.0° |
| C17 | C18 | H44 | H45 | 117.6° | 120.0° |
| C17 | C18 | C19 | H46 | 61.9° | 60.0° |
| C17 | C18 | C19 | H47 | 179.5° | 60.0° |
| C54 | C55 | C56 | H78 | 120.5° | 120.0° |
| C54 | C55 | C56 | H79 | 120.5° | 120.0° |
| C55 | C54 | C53 | H74 | 69.5° | 60.0° |
| C55 | C54 | C53 | H75 | 49.0° | 60.0° |
| C55 | C54 | H76 | H77 | 118.5° | 120.0° |
| C54 | C55 | H78 | H79 | 118.4° | 119.9° |
| C54 | C55 | C56 | H80 | 180.0° | 180.0° |
| C54 | C55 | C56 | H81 | 60.0° | 60.0° |
| C54 | C55 | C56 | H82 | 60.0° | 60.0° |
| C17 | C16 | C15 | H40 | 120.9° | 120.0° |
| C17 | C16 | C15 | H41 | 120.8° | 120.0° |
| C17 | C16 | C15 | C14 | 89.7° | 180.0° |
| C17 | C16 | C15 | H16 | 31.2° | 60.0° |
| C17 | C16 | C15 | H17 | 149.4° | 60.0° |
| C17 | C16 | H40 | H41 | 117.4° | 119.9° |
| C16 | C17 | H42 | H43 | 117.9° | 119.9° |
| C16 | C17 | C18 | H44 | 28.3° | 60.0° |
| C16 | C17 | C18 | H45 | 90.1° | 60.0° |
| C56 | C55 | C54 | H76 | 52.6° | 60.0° |
| C56 | C55 | C54 | H77 | 66.4° | 60.0° |
| C56 | C55 | H78 | H79 | 118.4° | 120.0° |
| C55 | C56 | H80 | H81 | 120.0° | 120.0° |
| C55 | C56 | H80 | H82 | 120.0° | 120.0° |
| C55 | C56 | H81 | H82 | 120.0° | 120.0° |
| C16 | C15 | C14 | H16 | 120.9° | 120.0° |
| C16 | C15 | C14 | H17 | 120.9° | 120.0° |
| C16 | C15 | C14 | C13 | 133.2° | 180.0° |
| C16 | C15 | C14 | H14 | 12.2° | 60.0° |
| C16 | C15 | C14 | H15 | 105.8° | 60.0° |
| C16 | C15 | H16 | H17 | 117.2° | 120.0° |
| C15 | C16 | H40 | H41 | 117.3° | 120.0° |
| C15 | C16 | C17 | H42 | 56.7° | 60.0° |
| C15 | C16 | C17 | H43 | 62.0° | 60.0° |
| C15 | C14 | C13 | H14 | 121.0° | 120.0° |
| C15 | C14 | C13 | H15 | 121.0° | 120.0° |
| C15 | C14 | C13 | C12 | 52.5° | 180.0° |
| C15 | C14 | C13 | H12 | 173.3° | 60.0° |
| C15 | C14 | C13 | H13 | 68.3° | 60.0° |
| C15 | C14 | H14 | H15 | 117.0° | 120.0° |
| C14 | C15 | H16 | H17 | 117.2° | 120.0° |
| C14 | C15 | C16 | H40 | 149.4° | 60.0° |
| C14 | C15 | C16 | H41 | 31.1° | 60.0° |
| C14 | C13 | C12 | H12 | 120.8° | 120.0° |
| C14 | C13 | C12 | H13 | 120.8° | 120.0° |
| C14 | C13 | C12 | C11 | 134.1° | 180.0° |
| C14 | C13 | C12 | H10 | 105.1° | 60.0° |
| C14 | C13 | C12 | H11 | 13.3° | 60.0° |
| C14 | C13 | H12 | H13 | 117.5° | 120.0° |
| C13 | C14 | H14 | H15 | 117.0° | 120.0° |
| C13 | C14 | C15 | H16 | 105.9° | 60.0° |
| C13 | C14 | C15 | H17 | 12.3° | 60.0° |
| C13 | C12 | C11 | H10 | 120.8° | 120.0° |
| C13 | C12 | C11 | H11 | 120.8° | 120.0° |
| C13 | C12 | C11 | C10 | 66.1° | 180.0° |
| C13 | C12 | C11 | H8 | 173.4° | 60.0° |
| C13 | C12 | C11 | H9 | 54.6° | 60.0° |
| C13 | C12 | H10 | H11 | 117.5° | 120.0° |
| C12 | C13 | H12 | H13 | 117.5° | 120.0° |
| C12 | C13 | C14 | H14 | 68.5° | 60.0° |
| C12 | C13 | C14 | H15 | 173.5° | 60.0° |
| C12 | C11 | C10 | H8 | 120.6° | 120.0° |
| C12 | C11 | C10 | H9 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 157.9° | 127.9° |
| C12 | C11 | H8 | H9 | 118.1° | 120.0° |
| C11 | C12 | H10 | H11 | 117.6° | 120.0° |
| C11 | C12 | C13 | H12 | 13.3° | 60.0° |
| C11 | C12 | C13 | H13 | 105.1° | 60.0° |
| C12 | C11 | C10 | H39 | 22.1° | 52.1° |
| C1 | C2 | C3 | H4 | 120.7° | 120.0° |
| C1 | C2 | C3 | H5 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 170.3° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 117.7° | 120.0° |
| C1 | C2 | C3 | H6 | 69.2° | 60.0° |
| C1 | C2 | C3 | H7 | 49.9° | 60.0° |
| C2 | C3 | C4 | H6 | 120.5° | 120.0° |
| C2 | C3 | C4 | H7 | 120.5° | 120.0° |
| C2 | C3 | C4 | C5 | 157.5° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 117.8° | 120.1° |
| C2 | C3 | H6 | H7 | 118.5° | 120.1° |
| C2 | C3 | C4 | H50 | 81.8° | 60.0° |
| C2 | C3 | C4 | H51 | 36.8° | 60.0° |
| C11 | C10 | C9 | H39 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 9.7° | 6.3° |
| C10 | C11 | H8 | H9 | 118.1° | 120.0° |
| C10 | C11 | C12 | H10 | 54.7° | 60.0° |
| C10 | C11 | C12 | H11 | 173.2° | 60.0° |
| C11 | C10 | C9 | H89 | 170.3° | 173.6° |
| C10 | C9 | C8 | H89 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 74.4° | 126.6° |
| C9 | C10 | C11 | H8 | 37.2° | 7.9° |
| C9 | C10 | C11 | H9 | 81.5° | 112.0° |
| C10 | C9 | C8 | H87 | 165.0° | 6.6° |
| C10 | C9 | C8 | H88 | 46.3° | 113.5° |
| C3 | C4 | C5 | H50 | 120.7° | 120.0° |
| C3 | C4 | C5 | H51 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 154.9° | 180.0° |
| C4 | C3 | C2 | H4 | 49.6° | 60.0° |
| C4 | C3 | C2 | H5 | 69.0° | 60.0° |
| C4 | C3 | H6 | H7 | 118.4° | 120.0° |
| C3 | C4 | H50 | H51 | 117.9° | 120.0° |
| C3 | C4 | C5 | H67 | 34.1° | 60.0° |
| C3 | C4 | C5 | H68 | 84.4° | 60.0° |
| C9 | C8 | C7 | H87 | 120.7° | 120.0° |
| C9 | C8 | C7 | H88 | 120.6° | 119.9° |
| C9 | C8 | C7 | C6 | 156.6° | 180.0° |
| C8 | C9 | C10 | H39 | 170.3° | 173.7° |
| C9 | C8 | C7 | H85 | 35.7° | 60.0° |
| C9 | C8 | C7 | H86 | 82.6° | 60.1° |
| C9 | C8 | H87 | H88 | 118.0° | 120.0° |
| C4 | C5 | C6 | H67 | 120.7° | 120.0° |
| C4 | C5 | C6 | H68 | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 70.6° | 180.0° |
| C5 | C4 | C3 | H6 | 37.0° | 60.0° |
| C5 | C4 | C3 | H7 | 82.0° | 60.0° |
| C5 | C4 | H50 | H51 | 118.0° | 120.0° |
| C4 | C5 | H67 | H68 | 117.7° | 120.0° |
| C4 | C5 | C6 | H83 | 168.7° | 60.0° |
| C4 | C5 | C6 | H84 | 50.2° | 60.0° |
| C8 | C7 | C6 | C5 | 72.2° | 180.0° |
| C8 | C7 | C6 | H85 | 120.8° | 120.0° |
| C8 | C7 | C6 | H86 | 120.9° | 120.0° |
| C8 | C7 | C6 | H83 | 48.6° | 59.9° |
| C8 | C7 | C6 | H84 | 167.1° | 60.0° |
| C8 | C7 | H85 | H86 | 117.4° | 120.0° |
| C7 | C8 | H87 | H88 | 118.0° | 120.0° |
| C7 | C8 | C9 | H89 | 105.6° | 53.5° |
| C5 | C6 | C7 | H83 | 120.8° | 120.0° |
| C5 | C6 | C7 | H84 | 120.8° | 120.0° |
| C6 | C5 | C4 | H50 | 84.5° | 60.0° |
| C6 | C5 | C4 | H51 | 34.2° | 60.0° |
| C6 | C5 | H67 | H68 | 117.7° | 120.0° |
| C5 | C6 | H83 | H84 | 117.6° | 119.9° |
| C5 | C6 | C7 | H85 | 48.7° | 60.0° |
| C5 | C6 | C7 | H86 | 167.0° | 60.0° |
| C7 | C6 | C5 | H67 | 50.1° | 60.0° |
| C7 | C6 | C5 | H68 | 168.7° | 60.0° |
| C7 | C6 | H83 | H84 | 117.6° | 120.0° |
| C6 | C7 | H85 | H86 | 117.3° | 120.0° |
| C6 | C7 | C8 | H87 | 82.8° | 60.0° |
| C6 | C7 | C8 | H88 | 35.9° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.3° | 60.0° |
| H1 | C1 | C2 | H5 | 59.3° | 180.0° |
| H2 | C1 | C2 | H4 | 60.7° | 180.0° |
| H2 | C1 | C2 | H5 | 179.3° | 60.0° |
| H3 | C1 | C2 | H4 | 179.3° | 60.0° |
| H3 | C1 | C2 | H5 | 60.7° | 60.0° |
| H4 | C2 | C3 | H6 | 170.1° | 180.0° |
| H4 | C2 | C3 | H7 | 70.9° | 59.9° |
| H5 | C2 | C3 | H6 | 51.5° | 60.0° |
| H5 | C2 | C3 | H7 | 170.6° | NaN° |
| H6 | C3 | C4 | H50 | 157.7° | NaN° |
| H6 | C3 | C4 | H51 | 83.7° | 59.9° |
| H7 | C3 | C4 | H50 | 38.7° | 60.0° |
| H7 | C3 | C4 | H51 | 157.3° | 180.0° |
| H8 | C11 | C12 | H10 | 65.9° | 60.0° |
| H8 | C11 | C12 | H11 | 52.6° | 180.0° |
| H8 | C11 | C10 | H39 | 142.8° | 172.1° |
| H9 | C11 | C12 | H10 | 175.3° | 180.0° |
| H9 | C11 | C12 | H11 | 66.2° | 60.0° |
| H9 | C11 | C10 | H39 | 98.5° | 68.0° |
| H10 | C12 | C13 | H12 | 134.0° | 180.0° |
| H10 | C12 | C13 | H13 | 15.7° | 60.0° |
| H11 | C12 | C13 | H12 | 107.5° | 59.9° |
| H11 | C12 | C13 | H13 | 134.1° | 180.0° |
| H12 | C13 | C14 | H14 | 52.3° | 180.0° |
| H12 | C13 | C14 | H15 | 65.7° | 60.0° |
| H13 | C13 | C14 | H14 | 170.7° | 59.9° |
| H13 | C13 | C14 | H15 | 52.7° | 180.0° |
| H14 | C14 | C15 | H16 | 133.1° | 180.0° |
| H14 | C14 | C15 | H17 | 108.7° | 59.9° |
| H15 | C14 | C15 | H16 | 15.1° | 60.0° |
| H15 | C14 | C15 | H17 | 133.2° | 180.0° |
| H16 | C15 | C16 | H40 | 89.7° | 180.0° |
| H16 | C15 | C16 | H41 | 152.0° | 60.0° |
| H17 | C15 | C16 | H40 | 28.5° | 60.0° |
| H17 | C15 | C16 | H41 | 89.8° | 180.0° |
| H18 | C21 | C20 | H48 | 77.3° | 180.0° |
| H18 | C21 | C20 | H49 | 163.6° | 60.0° |
| H19 | C21 | C20 | H48 | 41.9° | 60.0° |
| H19 | C21 | C20 | H49 | 77.2° | 180.0° |
| H20 | C25 | C26 | H22 | 29.9° | 65.0° |
| H21 | C25 | C26 | H22 | 149.6° | 55.0° |
| H22 | C26 | C27 | H23 | 23.2° | 54.9° |
| H22 | C26 | C27 | H24 | 95.6° | 65.0° |
| H26 | C33 | C34 | H28 | 139.9° | 71.1° |
| H26 | C33 | C34 | H29 | 22.1° | 168.9° |
| H27 | C33 | C34 | H28 | 100.2° | 48.8° |
| H27 | C33 | C34 | H29 | 142.0° | 71.1° |
| H30 | C36 | H31 | H32 | 119.9° | 120.0° |
| H33 | C37 | H34 | H35 | 120.0° | 120.0° |
| H36 | C38 | H37 | H38 | 120.0° | 119.9° |
| H39 | C10 | C9 | H89 | 9.7° | 6.4° |
| H40 | C16 | C17 | H42 | 177.5° | 180.0° |
| H40 | C16 | C17 | H43 | 58.8° | 60.0° |
| H41 | C16 | C17 | H42 | 64.2° | 60.1° |
| H41 | C16 | C17 | H43 | 177.2° | 180.0° |
| H42 | C17 | C18 | H44 | 149.0° | 180.0° |
| H42 | C17 | C18 | H45 | 30.5° | 60.0° |
| H43 | C17 | C18 | H44 | 92.4° | 60.0° |
| H43 | C17 | C18 | H45 | 149.2° | 179.9° |
| H44 | C18 | C19 | H46 | 58.9° | 180.0° |
| H44 | C18 | C19 | H47 | 59.7° | 60.0° |
| H45 | C18 | C19 | H46 | 177.4° | 60.0° |
| H45 | C18 | C19 | H47 | 58.8° | 180.0° |
| H46 | C19 | C20 | H48 | 168.6° | 60.0° |
| H46 | C19 | C20 | H49 | 49.5° | 180.0° |
| H47 | C19 | C20 | H48 | 72.8° | 180.0° |
| H47 | C19 | C20 | H49 | 168.1° | 59.9° |
| H50 | C4 | C5 | H67 | 154.8° | 180.0° |
| H50 | C4 | C5 | H68 | 36.3° | 60.0° |
| H51 | C4 | C5 | H67 | 86.5° | 60.0° |
| H51 | C4 | C5 | H68 | 155.0° | 179.9° |
| H52 | C42 | C43 | H54 | 134.9° | 180.0° |
| H52 | C42 | C43 | H55 | 106.3° | 60.0° |
| H53 | C42 | C43 | H54 | 106.0° | 59.9° |
| H53 | C42 | C43 | H55 | 12.8° | 180.0° |
| H54 | C43 | C44 | H56 | 57.8° | NaN° |
| H54 | C43 | C44 | H57 | 176.0° | 59.9° |
| H55 | C43 | C44 | H56 | 60.9° | 59.9° |
| H55 | C43 | C44 | H57 | 57.3° | 180.0° |
| H56 | C44 | C45 | H58 | 159.8° | 180.0° |
| H56 | C44 | C45 | H59 | 81.3° | 59.9° |
| H57 | C44 | C45 | H58 | 41.5° | 60.0° |
| H57 | C44 | C45 | H59 | 160.5° | 180.0° |
| H58 | C45 | C46 | H60 | 171.8° | 180.0° |
| H58 | C45 | C46 | H61 | 69.8° | 60.0° |
| H59 | C45 | C46 | H60 | 52.8° | 60.0° |
| H59 | C45 | C46 | H61 | 171.2° | 180.0° |
| H60 | C46 | C47 | H62 | 63.8° | NaN° |
| H60 | C46 | C47 | H63 | 178.1° | 60.0° |
| H61 | C46 | C47 | H62 | 54.6° | 60.0° |
| H61 | C46 | C47 | H63 | 63.5° | 180.0° |
| H62 | C47 | C48 | H64 | 105.6° | 180.0° |
| H62 | C47 | C48 | H65 | 12.9° | 60.0° |
| H63 | C47 | C48 | H64 | 136.3° | 60.0° |
| H63 | C47 | C48 | H65 | 105.3° | 180.0° |
| H64 | C48 | C49 | H66 | 104.5° | 172.8° |
| H65 | C48 | C49 | H66 | 137.0° | 67.2° |
| H66 | C49 | C50 | H69 | 1.4° | 7.3° |
| H67 | C5 | C6 | H83 | 70.6° | 179.9° |
| H67 | C5 | C6 | H84 | 170.9° | 60.0° |
| H68 | C5 | C6 | H83 | 47.9° | 60.1° |
| H68 | C5 | C6 | H84 | 70.5° | 180.0° |
| H69 | C50 | C51 | H70 | 83.1° | 67.3° |
| H69 | C50 | C51 | H71 | 158.2° | 172.7° |
| H70 | C51 | C52 | H72 | 73.9° | 180.0° |
| H70 | C51 | C52 | H73 | 45.0° | 60.1° |
| H71 | C51 | C52 | H72 | 167.5° | 60.0° |
| H71 | C51 | C52 | H73 | 73.6° | 180.0° |
| H72 | C52 | C53 | H74 | 161.5° | 180.0° |
| H72 | C52 | C53 | H75 | 80.0° | 60.0° |
| H73 | C52 | C53 | H74 | 42.6° | 60.0° |
| H73 | C52 | C53 | H75 | 161.1° | 180.0° |
| H74 | C53 | C54 | H76 | 170.0° | 180.0° |
| H74 | C53 | C54 | H77 | 51.0° | 60.0° |
| H75 | C53 | C54 | H76 | 71.5° | 60.0° |
| H75 | C53 | C54 | H77 | 169.5° | 180.0° |
| H76 | C54 | C55 | H78 | 173.1° | 180.0° |
| H76 | C54 | C55 | H79 | 68.0° | 60.1° |
| H77 | C54 | C55 | H78 | 54.1° | 60.1° |
| H77 | C54 | C55 | H79 | 173.0° | 180.0° |
| H78 | C55 | C56 | H80 | 59.5° | 60.0° |
| H78 | C55 | C56 | H81 | 179.5° | 180.0° |
| H78 | C55 | C56 | H82 | 60.5° | 60.0° |
| H79 | C55 | C56 | H80 | 59.5° | 60.0° |
| H79 | C55 | C56 | H81 | 60.5° | 60.0° |
| H79 | C55 | C56 | H82 | 179.5° | 179.9° |
| H80 | C56 | H81 | H82 | 120.0° | 120.0° |
| H83 | C6 | C7 | H85 | 169.5° | 180.0° |
| H83 | C6 | C7 | H86 | 72.2° | 60.0° |
| H84 | C6 | C7 | H85 | 72.1° | 60.0° |
| H84 | C6 | C7 | H86 | 46.2° | 180.0° |
| H85 | C7 | C8 | H87 | 156.4° | 180.0° |
| H85 | C7 | C8 | H88 | 84.9° | 60.0° |
| H86 | C7 | C8 | H87 | 38.1° | 60.0° |
| H86 | C7 | C8 | H88 | 156.8° | 180.0° |
| H87 | C8 | C9 | H89 | 15.0° | 173.5° |
| H88 | C8 | C9 | H89 | 133.7° | 66.5° |
