JM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C39 | doub | 1.21Å | 1.18Å | |
| C41 | C39 | sing | 1.51Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C39 | O38 | sing | 1.34Å | 1.40Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C48 | C47 | sing | 1.53Å | 1.51Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| O38 | C37 | sing | 1.45Å | 1.40Å | |
| C47 | C46 | sing | 1.53Å | 1.51Å | |
| C37 | C18 | sing | 1.53Å | 1.54Å | |
| C49 | C50 | sing | 1.53Å | 1.51Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C53 | C52 | sing | 1.53Å | 1.54Å | |
| O17 | C18 | sing | 1.45Å | 1.41Å | |
| O17 | C15 | sing | 1.34Å | 1.42Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | doub | 1.21Å | 1.19Å | |
| C19 | O20 | sing | 1.45Å | 1.41Å | |
| O20 | C21 | sing | 1.34Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C21 | O22 | doub | 1.21Å | 1.19Å | |
| C21 | C23 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C36 | C34 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| C46 | H75 | sing | 1.09Å | 1.10Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| C47 | H77 | sing | 1.09Å | 1.10Å | |
| C48 | H78 | sing | 1.09Å | 1.10Å | |
| C48 | H79 | sing | 1.09Å | 1.10Å | |
| C49 | H80 | sing | 1.09Å | 1.10Å | |
| C49 | H81 | sing | 1.09Å | 1.10Å | |
| C50 | H82 | sing | 1.09Å | 1.10Å | |
| C50 | H83 | sing | 1.09Å | 1.10Å | |
| C51 | H84 | sing | 1.09Å | 1.10Å | |
| C51 | H85 | sing | 1.09Å | 1.10Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| C53 | H87 | sing | 1.09Å | 1.10Å | |
| C53 | H88 | sing | 1.09Å | 1.10Å | |
| C53 | H89 | sing | 1.09Å | 1.10Å | |
| C54 | H90 | sing | 1.09Å | 1.10Å | |
| C54 | H91 | sing | 1.09Å | 1.10Å | |
| C54 | H92 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C39 | C41 | 119.2° | 120.0° |
| O40 | C39 | O38 | 120.1° | 120.0° |
| C39 | C41 | C42 | 113.2° | 109.5° |
| C41 | C39 | O38 | 120.7° | 120.0° |
| C39 | C41 | H64 | 108.5° | 109.5° |
| C39 | C41 | H65 | 108.5° | 109.4° |
| C41 | C42 | C43 | 112.9° | 109.5° |
| C42 | C41 | H64 | 108.5° | 109.5° |
| C42 | C41 | H65 | 108.5° | 109.5° |
| C41 | C42 | H66 | 108.6° | 109.5° |
| C41 | C42 | H67 | 108.6° | 109.5° |
| C39 | O38 | C37 | 114.3° | 117.0° |
| C42 | C43 | C44 | 112.6° | 109.4° |
| C43 | C42 | H66 | 108.6° | 109.5° |
| C43 | C42 | H67 | 108.6° | 109.5° |
| C42 | C43 | H68 | 108.7° | 109.5° |
| C42 | C43 | H69 | 108.7° | 109.5° |
| C43 | C44 | C45 | 112.0° | 109.4° |
| C44 | C43 | H68 | 108.7° | 109.5° |
| C44 | C43 | H69 | 108.6° | 109.5° |
| C43 | C44 | H70 | 108.8° | 109.5° |
| C43 | C44 | H71 | 108.8° | 109.5° |
| C44 | C45 | C46 | 113.1° | 109.5° |
| C45 | C44 | H70 | 108.8° | 109.5° |
| C45 | C44 | H71 | 108.8° | 109.5° |
| C44 | C45 | H72 | 108.6° | 109.5° |
| C44 | C45 | H73 | 108.6° | 109.5° |
| C45 | C46 | C47 | 111.8° | 109.4° |
| C46 | C45 | H72 | 108.6° | 109.5° |
| C46 | C45 | H73 | 108.6° | 109.5° |
| C45 | C46 | H74 | 108.9° | 109.4° |
| C45 | C46 | H75 | 108.9° | 109.5° |
| C47 | C48 | C49 | 113.5° | 109.4° |
| C48 | C47 | C46 | 113.4° | 109.4° |
| C48 | C47 | H76 | 108.5° | 109.5° |
| C48 | C47 | H77 | 108.5° | 109.5° |
| C47 | C48 | H78 | 108.5° | 109.4° |
| C47 | C48 | H79 | 108.5° | 109.5° |
| C48 | C49 | C50 | 112.8° | 109.5° |
| C49 | C48 | H78 | 108.4° | 109.5° |
| C49 | C48 | H79 | 108.5° | 109.5° |
| C48 | C49 | H80 | 108.6° | 109.5° |
| C48 | C49 | H81 | 108.6° | 109.5° |
| O38 | C37 | C18 | 108.1° | 109.5° |
| O38 | C37 | H62 | 109.8° | 109.4° |
| O38 | C37 | H63 | 109.8° | 109.5° |
| C47 | C46 | H74 | 108.9° | 109.5° |
| C47 | C46 | H75 | 108.9° | 109.5° |
| C46 | C47 | H76 | 108.5° | 109.5° |
| C46 | C47 | H77 | 108.5° | 109.5° |
| C37 | C18 | O17 | 105.6° | 109.5° |
| C37 | C18 | C19 | 113.9° | 109.5° |
| C37 | C18 | H30 | 109.7° | 109.5° |
| C18 | C37 | H62 | 109.8° | 109.5° |
| C18 | C37 | H63 | 109.8° | 109.5° |
| C49 | C50 | C51 | 111.9° | 109.5° |
| C50 | C49 | H80 | 108.6° | 109.4° |
| C50 | C49 | H81 | 108.6° | 109.4° |
| C49 | C50 | H82 | 108.8° | 109.5° |
| C49 | C50 | H83 | 108.8° | 109.5° |
| C50 | C51 | C52 | 115.6° | 109.5° |
| C51 | C50 | H82 | 108.8° | 109.5° |
| C51 | C50 | H83 | 108.9° | 109.5° |
| C50 | C51 | H84 | 107.9° | 109.5° |
| C50 | C51 | H85 | 107.9° | 109.5° |
| C53 | C52 | C51 | 113.8° | 109.4° |
| C53 | C52 | C54 | 110.7° | 109.5° |
| C53 | C52 | H86 | 107.2° | 109.5° |
| C52 | C53 | H87 | 109.5° | 109.5° |
| C52 | C53 | H88 | 109.5° | 109.4° |
| C52 | C53 | H89 | 109.5° | 109.5° |
| C18 | O17 | C15 | 121.1° | 117.0° |
| O17 | C18 | C19 | 106.3° | 109.5° |
| O17 | C18 | H30 | 111.6° | 109.4° |
| O17 | C15 | C14 | 117.3° | 120.0° |
| O17 | C15 | O16 | 123.8° | 120.0° |
| C51 | C52 | C54 | 110.3° | 109.5° |
| C52 | C51 | H84 | 107.9° | 109.4° |
| C52 | C51 | H85 | 107.9° | 109.5° |
| C51 | C52 | H86 | 107.3° | 109.5° |
| C18 | C19 | O20 | 107.4° | 109.5° |
| C19 | C18 | H30 | 109.7° | 109.5° |
| C18 | C19 | H31 | 110.0° | 109.4° |
| C18 | C19 | H32 | 110.0° | 109.5° |
| C54 | C52 | H86 | 107.3° | 109.5° |
| C52 | C54 | H90 | 109.5° | 109.5° |
| C52 | C54 | H91 | 109.5° | 109.4° |
| C52 | C54 | H92 | 109.5° | 109.5° |
| C15 | C14 | C13 | 112.4° | 109.5° |
| C14 | C15 | O16 | 118.9° | 120.0° |
| C15 | C14 | H9 | 108.7° | 109.4° |
| C15 | C14 | H10 | 108.7° | 109.5° |
| C14 | C13 | C12 | 111.8° | 109.5° |
| C14 | C13 | H7 | 108.9° | 109.5° |
| C14 | C13 | H8 | 108.9° | 109.5° |
| C13 | C14 | H9 | 108.7° | 109.5° |
| C13 | C14 | H10 | 108.7° | 109.5° |
| C19 | O20 | C21 | 118.6° | 117.0° |
| O20 | C19 | H31 | 110.0° | 109.5° |
| O20 | C19 | H32 | 110.0° | 109.5° |
| O20 | C21 | O22 | 121.6° | 120.0° |
| O20 | C21 | C23 | 118.4° | 120.0° |
| C13 | C12 | C11 | 112.8° | 109.4° |
| C13 | C12 | H5 | 108.7° | 109.4° |
| C13 | C12 | H6 | 108.6° | 109.4° |
| C12 | C13 | H7 | 108.9° | 109.5° |
| C12 | C13 | H8 | 108.9° | 109.5° |
| C12 | C11 | C10 | 113.4° | 109.4° |
| C12 | C11 | H3 | 108.5° | 109.5° |
| C12 | C11 | H4 | 108.5° | 109.5° |
| C11 | C12 | H5 | 108.6° | 109.5° |
| C11 | C12 | H6 | 108.7° | 109.5° |
| C07 | C06 | C05 | 112.9° | 109.5° |
| C06 | C07 | C08 | 114.1° | 109.5° |
| C07 | C06 | H22 | 108.6° | 109.5° |
| C07 | C06 | H23 | 108.6° | 109.5° |
| C06 | C07 | H24 | 108.3° | 109.5° |
| C06 | C07 | H25 | 108.3° | 109.5° |
| C06 | C05 | C04 | 112.7° | 109.5° |
| C06 | C05 | H20 | 108.7° | 109.5° |
| C06 | C05 | H21 | 108.7° | 109.4° |
| C05 | C06 | H22 | 108.6° | 109.4° |
| C05 | C06 | H23 | 108.6° | 109.5° |
| C10 | C09 | C08 | 113.2° | 109.5° |
| C09 | C10 | C11 | 114.0° | 109.5° |
| C09 | C10 | H1 | 108.3° | 109.5° |
| C09 | C10 | H2 | 108.3° | 109.5° |
| C10 | C09 | H28 | 108.5° | 109.5° |
| C10 | C09 | H29 | 108.5° | 109.5° |
| C09 | C08 | C07 | 112.0° | 109.5° |
| C09 | C08 | H26 | 108.8° | 109.5° |
| C09 | C08 | H27 | 108.8° | 109.5° |
| C08 | C09 | H28 | 108.5° | 109.5° |
| C08 | C09 | H29 | 108.5° | 109.5° |
| C08 | C07 | H24 | 108.3° | 109.4° |
| C08 | C07 | H25 | 108.3° | 109.5° |
| C07 | C08 | H26 | 108.8° | 109.4° |
| C07 | C08 | H27 | 108.8° | 109.5° |
| C05 | C04 | C03 | 111.4° | 109.4° |
| C05 | C04 | H18 | 109.0° | 109.5° |
| C05 | C04 | H19 | 109.0° | 109.4° |
| C04 | C05 | H20 | 108.6° | 109.6° |
| C04 | C05 | H21 | 108.7° | 109.5° |
| C04 | C03 | C02 | 113.0° | 109.5° |
| C04 | C03 | H16 | 108.6° | 109.4° |
| C04 | C03 | H17 | 108.6° | 109.5° |
| C03 | C04 | H18 | 108.9° | 109.4° |
| C03 | C04 | H19 | 109.0° | 109.5° |
| O22 | C21 | C23 | 120.0° | 120.0° |
| C21 | C23 | C24 | 113.4° | 109.5° |
| C21 | C23 | H33 | 108.5° | 109.5° |
| C21 | C23 | H34 | 108.5° | 109.5° |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C01 | C02 | H14 | 108.8° | 109.4° |
| C01 | C02 | H15 | 108.7° | 109.5° |
| C03 | C02 | H14 | 108.8° | 109.4° |
| C03 | C02 | H15 | 108.8° | 109.5° |
| C02 | C03 | H16 | 108.6° | 109.4° |
| C02 | C03 | H17 | 108.6° | 109.5° |
| C11 | C10 | H1 | 108.3° | 109.5° |
| C11 | C10 | H2 | 108.3° | 109.5° |
| C10 | C11 | H3 | 108.5° | 109.5° |
| C10 | C11 | H4 | 108.5° | 109.5° |
| C23 | C24 | C25 | 112.5° | 109.5° |
| C24 | C23 | H33 | 108.4° | 109.4° |
| C24 | C23 | H34 | 108.5° | 109.5° |
| C23 | C24 | H35 | 108.7° | 109.4° |
| C23 | C24 | H36 | 108.7° | 109.5° |
| C24 | C25 | C26 | 113.1° | 109.5° |
| C25 | C24 | H35 | 108.7° | 109.5° |
| C25 | C24 | H36 | 108.7° | 109.4° |
| C24 | C25 | H37 | 108.5° | 109.4° |
| C24 | C25 | H38 | 108.5° | 109.4° |
| C25 | C26 | C27 | 113.7° | 109.5° |
| C26 | C25 | H37 | 108.6° | 109.5° |
| C26 | C25 | H38 | 108.5° | 109.5° |
| C25 | C26 | H39 | 108.4° | 109.5° |
| C25 | C26 | H40 | 108.4° | 109.4° |
| C26 | C27 | C28 | 111.7° | 109.4° |
| C27 | C26 | H39 | 108.4° | 109.5° |
| C27 | C26 | H40 | 108.4° | 109.5° |
| C26 | C27 | H41 | 108.9° | 109.5° |
| C26 | C27 | H42 | 108.9° | 109.5° |
| C27 | C28 | C29 | 113.8° | 109.4° |
| C28 | C27 | H41 | 108.9° | 109.4° |
| C28 | C27 | H42 | 108.9° | 109.5° |
| C27 | C28 | H43 | 108.4° | 109.4° |
| C27 | C28 | H44 | 108.4° | 109.5° |
| C28 | C29 | C30 | 112.7° | 109.5° |
| C29 | C28 | H43 | 108.4° | 109.5° |
| C29 | C28 | H44 | 108.4° | 109.5° |
| C28 | C29 | H45 | 108.7° | 109.5° |
| C28 | C29 | H46 | 108.6° | 109.5° |
| C29 | C30 | C31 | 113.5° | 109.5° |
| C30 | C29 | H45 | 108.7° | 109.5° |
| C30 | C29 | H46 | 108.7° | 109.4° |
| C29 | C30 | H47 | 108.5° | 109.5° |
| C29 | C30 | H48 | 108.5° | 109.5° |
| C32 | C31 | C30 | 113.8° | 109.5° |
| C31 | C32 | C33 | 113.1° | 109.5° |
| C32 | C31 | H49 | 108.4° | 109.4° |
| C32 | C31 | H50 | 108.4° | 109.5° |
| C31 | C32 | H51 | 108.5° | 109.4° |
| C31 | C32 | H52 | 108.6° | 109.5° |
| C31 | C30 | H47 | 108.4° | 109.4° |
| C31 | C30 | H48 | 108.5° | 109.4° |
| C30 | C31 | H49 | 108.4° | 109.5° |
| C30 | C31 | H50 | 108.4° | 109.4° |
| C32 | C33 | C34 | 115.5° | 109.5° |
| C33 | C32 | H51 | 108.6° | 109.5° |
| C33 | C32 | H52 | 108.5° | 109.5° |
| C32 | C33 | H53 | 108.0° | 109.5° |
| C32 | C33 | H54 | 107.9° | 109.5° |
| C33 | C34 | C35 | 114.3° | 109.5° |
| C33 | C34 | C36 | 110.6° | 109.5° |
| C34 | C33 | H53 | 107.9° | 109.5° |
| C34 | C33 | H54 | 108.0° | 109.4° |
| C33 | C34 | H55 | 107.1° | 109.5° |
| C35 | C34 | C36 | 110.2° | 109.5° |
| C35 | C34 | H55 | 107.3° | 109.4° |
| C34 | C35 | H56 | 109.5° | 109.4° |
| C34 | C35 | H57 | 109.4° | 109.5° |
| C34 | C35 | H58 | 109.5° | 109.5° |
| C36 | C34 | H55 | 107.1° | 109.4° |
| C34 | C36 | H59 | 109.5° | 109.5° |
| C34 | C36 | H60 | 109.5° | 109.4° |
| C34 | C36 | H61 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.4° |
| H11 | C01 | H13 | 109.4° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| H14 | C02 | H15 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.4° |
| H18 | C04 | H19 | 109.5° | 109.5° |
| H20 | C05 | H21 | 109.5° | 109.4° |
| H22 | C06 | H23 | 109.5° | 109.5° |
| H24 | C07 | H25 | 109.5° | 109.5° |
| H26 | C08 | H27 | 109.5° | 109.4° |
| H28 | C09 | H29 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.4° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H47 | C30 | H48 | 109.4° | 109.5° |
| H49 | C31 | H50 | 109.5° | 109.4° |
| H51 | C32 | H52 | 109.5° | 109.5° |
| H53 | C33 | H54 | 109.5° | 109.5° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| H56 | C35 | H58 | 109.4° | 109.5° |
| H57 | C35 | H58 | 109.5° | 109.5° |
| H59 | C36 | H60 | 109.4° | 109.5° |
| H59 | C36 | H61 | 109.5° | 109.4° |
| H60 | C36 | H61 | 109.4° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.5° |
| H64 | C41 | H65 | 109.5° | 109.4° |
| H66 | C42 | H67 | 109.5° | 109.5° |
| H68 | C43 | H69 | 109.5° | 109.5° |
| H70 | C44 | H71 | 109.5° | 109.5° |
| H72 | C45 | H73 | 109.5° | 109.5° |
| H74 | C46 | H75 | 109.5° | 109.5° |
| H76 | C47 | H77 | 109.5° | 109.5° |
| H78 | C48 | H79 | 109.4° | 109.5° |
| H80 | C49 | H81 | 109.5° | 109.5° |
| H82 | C50 | H83 | 109.5° | 109.4° |
| H84 | C51 | H85 | 109.4° | 109.4° |
| H87 | C53 | H88 | 109.5° | 109.4° |
| H87 | C53 | H89 | 109.5° | 109.5° |
| H88 | C53 | H89 | 109.5° | 109.5° |
| H90 | C54 | H91 | 109.5° | 109.5° |
| H90 | C54 | H92 | 109.5° | 109.5° |
| H91 | C54 | H92 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C39 | C41 | O38 | 178.9° | 179.9° |
| O40 | C39 | C41 | C42 | 158.8° | 0.1° |
| O40 | C39 | O38 | C37 | 71.2° | 0.0° |
| O40 | C39 | C41 | H64 | 80.6° | 120.0° |
| O40 | C39 | C41 | H65 | 38.3° | 120.1° |
| C39 | C41 | C42 | H64 | 120.5° | 120.0° |
| C39 | C41 | C42 | H65 | 120.6° | 120.0° |
| C39 | C41 | C42 | C43 | 174.9° | 180.0° |
| C41 | C39 | O38 | C37 | 109.9° | 179.9° |
| C39 | C41 | H64 | H65 | 118.3° | 119.9° |
| C39 | C41 | C42 | H66 | 54.4° | 60.0° |
| C39 | C41 | C42 | H67 | 64.5° | 60.1° |
| C42 | C41 | C39 | O38 | 20.0° | 180.0° |
| C41 | C42 | C43 | H66 | 120.5° | 120.0° |
| C41 | C42 | C43 | H67 | 120.5° | 120.0° |
| C41 | C42 | C43 | C44 | 101.0° | 180.0° |
| C42 | C41 | H64 | H65 | 118.3° | 120.0° |
| C41 | C42 | H66 | H67 | 118.4° | 120.0° |
| C41 | C42 | C43 | H68 | 19.4° | 60.0° |
| C41 | C42 | C43 | H69 | 138.5° | 60.0° |
| C39 | O38 | C37 | C18 | 136.4° | 180.0° |
| C39 | O38 | C37 | H62 | 103.8° | 60.0° |
| C39 | O38 | C37 | H63 | 16.6° | 60.0° |
| O38 | C39 | C41 | H64 | 100.5° | 59.9° |
| O38 | C39 | C41 | H65 | 140.6° | 60.0° |
| C42 | C43 | C44 | H68 | 120.5° | 120.0° |
| C42 | C43 | C44 | H69 | 120.5° | 120.0° |
| C42 | C43 | C44 | C45 | 178.4° | 180.0° |
| C43 | C42 | C41 | H64 | 64.5° | 60.0° |
| C43 | C42 | C41 | H65 | 54.4° | 60.0° |
| C43 | C42 | H66 | H67 | 118.4° | 120.0° |
| C42 | C43 | H68 | H69 | 118.6° | 120.0° |
| C42 | C43 | C44 | H70 | 58.0° | 60.0° |
| C42 | C43 | C44 | H71 | 61.2° | 60.0° |
| C43 | C44 | C45 | H70 | 120.4° | 120.0° |
| C43 | C44 | C45 | H71 | 120.4° | 120.0° |
| C43 | C44 | C45 | C46 | 152.0° | 180.0° |
| C44 | C43 | C42 | H66 | 138.4° | 60.0° |
| C44 | C43 | C42 | H67 | 19.5° | 60.0° |
| C44 | C43 | H68 | H69 | 118.5° | 120.1° |
| C43 | C44 | H70 | H71 | 118.8° | 120.1° |
| C43 | C44 | C45 | H72 | 87.4° | 60.0° |
| C43 | C44 | C45 | H73 | 31.5° | 60.0° |
| C44 | C45 | C46 | H72 | 120.5° | 120.0° |
| C44 | C45 | C46 | H73 | 120.5° | 120.0° |
| C44 | C45 | C46 | C47 | 179.5° | 180.0° |
| C45 | C44 | C43 | H68 | 61.1° | 60.0° |
| C45 | C44 | C43 | H69 | 57.9° | 60.0° |
| C45 | C44 | H70 | H71 | 118.9° | 120.0° |
| C44 | C45 | H72 | H73 | 118.3° | 120.0° |
| C44 | C45 | C46 | H74 | 59.2° | 60.0° |
| C44 | C45 | C46 | H75 | 60.1° | 60.0° |
| C45 | C46 | C47 | C48 | 104.2° | 180.0° |
| C45 | C46 | C47 | H74 | 120.4° | 119.9° |
| C45 | C46 | C47 | H75 | 120.3° | 120.0° |
| C46 | C45 | C44 | H70 | 31.7° | 60.1° |
| C46 | C45 | C44 | H71 | 87.6° | 60.0° |
| C46 | C45 | H72 | H73 | 118.4° | 120.0° |
| C45 | C46 | H74 | H75 | 118.9° | 120.0° |
| C45 | C46 | C47 | H76 | 135.3° | 60.0° |
| C45 | C46 | C47 | H77 | 16.4° | 60.0° |
| C47 | C48 | C49 | H78 | 120.6° | 119.9° |
| C47 | C48 | C49 | H79 | 120.6° | 120.0° |
| C48 | C47 | C46 | H76 | 120.6° | 120.0° |
| C48 | C47 | C46 | H77 | 120.6° | 120.0° |
| C47 | C48 | C49 | C50 | 102.5° | 180.0° |
| C48 | C47 | C46 | H74 | 135.5° | 60.0° |
| C48 | C47 | C46 | H75 | 16.2° | 60.0° |
| C48 | C47 | H76 | H77 | 118.2° | 120.0° |
| C47 | C48 | H78 | H79 | 118.2° | 120.0° |
| C47 | C48 | C49 | H80 | 18.0° | 60.0° |
| C47 | C48 | C49 | H81 | 136.9° | 60.0° |
| C49 | C48 | C47 | C46 | 84.5° | 180.0° |
| C48 | C49 | C50 | H80 | 120.5° | 120.0° |
| C48 | C49 | C50 | H81 | 120.5° | 120.0° |
| C48 | C49 | C50 | C51 | 174.3° | 180.0° |
| C49 | C48 | C47 | H76 | 36.0° | 60.0° |
| C49 | C48 | C47 | H77 | 154.9° | 60.0° |
| C49 | C48 | H78 | H79 | 118.1° | 120.1° |
| C48 | C49 | H80 | H81 | 118.5° | 120.1° |
| C48 | C49 | C50 | H82 | 54.0° | 60.0° |
| C48 | C49 | C50 | H83 | 65.3° | 59.9° |
| O38 | C37 | C18 | H62 | 119.8° | 119.9° |
| O38 | C37 | C18 | H63 | 119.8° | 120.0° |
| O38 | C37 | C18 | O17 | 77.1° | 65.0° |
| O38 | C37 | C18 | C19 | 166.7° | 175.0° |
| O38 | C37 | C18 | H30 | 43.3° | 55.0° |
| O38 | C37 | H62 | H63 | 120.6° | 120.0° |
| C47 | C46 | C45 | H72 | 59.9° | 60.0° |
| C47 | C46 | C45 | H73 | 59.0° | 60.0° |
| C47 | C46 | H74 | H75 | 118.9° | 120.1° |
| C46 | C47 | H76 | H77 | 118.2° | 120.1° |
| C46 | C47 | C48 | H78 | 36.1° | 60.0° |
| C46 | C47 | C48 | H79 | 154.8° | 60.0° |
| C37 | C18 | O17 | C19 | 121.3° | 120.0° |
| C37 | C18 | O17 | H30 | 119.1° | 120.0° |
| C37 | C18 | O17 | C15 | 124.3° | 90.0° |
| C37 | C18 | C19 | H30 | 123.4° | 120.1° |
| C37 | C18 | C19 | O20 | 122.8° | 175.0° |
| C37 | C18 | C19 | H31 | 117.6° | 65.0° |
| C37 | C18 | C19 | H32 | 3.1° | 55.0° |
| C18 | C37 | H62 | H63 | 120.6° | 120.1° |
| C49 | C50 | C51 | H82 | 120.4° | 120.0° |
| C49 | C50 | C51 | H83 | 120.4° | 120.0° |
| C49 | C50 | C51 | C52 | 174.3° | 180.0° |
| C50 | C49 | C48 | H78 | 136.8° | 60.1° |
| C50 | C49 | C48 | H79 | 18.1° | 60.0° |
| C50 | C49 | H80 | H81 | 118.5° | 119.9° |
| C49 | C50 | H82 | H83 | 118.9° | 120.0° |
| C49 | C50 | C51 | H84 | 53.4° | 60.0° |
| C49 | C50 | C51 | H85 | 64.8° | 60.0° |
| C50 | C51 | C52 | C53 | 48.4° | 65.0° |
| C50 | C51 | C52 | H84 | 120.9° | 120.0° |
| C50 | C51 | C52 | H85 | 120.9° | 120.0° |
| C50 | C51 | C52 | C54 | 173.4° | 175.0° |
| C51 | C50 | C49 | H80 | 65.2° | 60.0° |
| C51 | C50 | C49 | H81 | 53.8° | 60.0° |
| C51 | C50 | H82 | H83 | 118.9° | 120.0° |
| C50 | C51 | H84 | H85 | 117.2° | 120.0° |
| C50 | C51 | C52 | H86 | 70.1° | 55.0° |
| C53 | C52 | C51 | C54 | 125.0° | 120.0° |
| C53 | C52 | C51 | H86 | 118.4° | 120.0° |
| C53 | C52 | C54 | H86 | 116.6° | 120.0° |
| C53 | C52 | C51 | H84 | 169.3° | 55.0° |
| C53 | C52 | C51 | H85 | 72.5° | 175.0° |
| C52 | C53 | H87 | H88 | 120.0° | 119.9° |
| C52 | C53 | H87 | H89 | 120.0° | 120.1° |
| C52 | C53 | H88 | H89 | 120.0° | 120.0° |
| C53 | C52 | C54 | H90 | 180.0° | 180.0° |
| C53 | C52 | C54 | H91 | 60.0° | 60.0° |
| C53 | C52 | C54 | H92 | 60.0° | 59.9° |
| O17 | C18 | C19 | H30 | 120.8° | 119.9° |
| C18 | O17 | C15 | C14 | 175.8° | 180.0° |
| C18 | O17 | C15 | O16 | 3.5° | 0.0° |
| O17 | C18 | C19 | O20 | 7.0° | 65.0° |
| O17 | C18 | C19 | H31 | 126.6° | 55.0° |
| O17 | C18 | C19 | H32 | 112.7° | 175.0° |
| O17 | C18 | C37 | H62 | 163.1° | 175.1° |
| O17 | C18 | C37 | H63 | 42.7° | 55.0° |
| C15 | O17 | C18 | C19 | 114.3° | 150.0° |
| O17 | C15 | C14 | O16 | 179.3° | 180.0° |
| O17 | C15 | C14 | C13 | 100.3° | 180.0° |
| O17 | C15 | C14 | H9 | 20.1° | 60.0° |
| O17 | C15 | C14 | H10 | 139.3° | 60.0° |
| C15 | O17 | C18 | H30 | 5.2° | 30.0° |
| C51 | C52 | C54 | H86 | 116.6° | 120.0° |
| C52 | C51 | C50 | H82 | 65.3° | 60.0° |
| C52 | C51 | C50 | H83 | 54.0° | 60.0° |
| C52 | C51 | H84 | H85 | 117.2° | 119.9° |
| C51 | C52 | C53 | H87 | 180.0° | 60.1° |
| C51 | C52 | C53 | H88 | 60.0° | 180.0° |
| C51 | C52 | C53 | H89 | 60.0° | 60.0° |
| C51 | C52 | C54 | H90 | 53.2° | 60.0° |
| C51 | C52 | C54 | H91 | 66.8° | 180.0° |
| C51 | C52 | C54 | H92 | 173.2° | 60.0° |
| C18 | C19 | O20 | H31 | 119.7° | 120.0° |
| C18 | C19 | O20 | H32 | 119.7° | 120.0° |
| C18 | C19 | O20 | C21 | 102.4° | 180.0° |
| C18 | C19 | H31 | H32 | 121.0° | 120.0° |
| C19 | C18 | C37 | H62 | 46.9° | 55.1° |
| C19 | C18 | C37 | H63 | 73.5° | 65.0° |
| C54 | C52 | C51 | H84 | 65.7° | 65.0° |
| C54 | C52 | C51 | H85 | 52.5° | 55.0° |
| C54 | C52 | C53 | H87 | 55.2° | 59.9° |
| C54 | C52 | C53 | H88 | 64.9° | 60.0° |
| C54 | C52 | C53 | H89 | 175.2° | 180.0° |
| C52 | C54 | H90 | H91 | 120.0° | 120.0° |
| C52 | C54 | H90 | H92 | 120.0° | 120.1° |
| C52 | C54 | H91 | H92 | 120.0° | 120.0° |
| C15 | C14 | C13 | H9 | 120.4° | 120.0° |
| C15 | C14 | C13 | H10 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 168.8° | 180.0° |
| C15 | C14 | C13 | H7 | 48.4° | 60.0° |
| C15 | C14 | C13 | H8 | 70.9° | 60.0° |
| C15 | C14 | H9 | H10 | 118.7° | 120.0° |
| C13 | C14 | C15 | O16 | 79.0° | 0.0° |
| C14 | C13 | C12 | H7 | 120.3° | 120.1° |
| C14 | C13 | C12 | H8 | 120.3° | 120.0° |
| C14 | C13 | C12 | C11 | 165.2° | 180.0° |
| C14 | C13 | C12 | H5 | 74.3° | 60.0° |
| C14 | C13 | C12 | H6 | 44.7° | 60.0° |
| C14 | C13 | H7 | H8 | 118.9° | 120.0° |
| C13 | C14 | H9 | H10 | 118.7° | 120.0° |
| O16 | C15 | C14 | H9 | 160.5° | 120.0° |
| O16 | C15 | C14 | H10 | 41.4° | 120.0° |
| C19 | O20 | C21 | O22 | 41.7° | 0.1° |
| C19 | O20 | C21 | C23 | 139.5° | 180.0° |
| O20 | C19 | C18 | H30 | 113.8° | 55.0° |
| O20 | C19 | H31 | H32 | 121.0° | 120.1° |
| O20 | C21 | O22 | C23 | 178.8° | 179.9° |
| O20 | C21 | C23 | C24 | 145.3° | 180.0° |
| C21 | O20 | C19 | H31 | 17.3° | 60.1° |
| C21 | O20 | C19 | H32 | 137.9° | 60.0° |
| O20 | C21 | C23 | H33 | 94.1° | 60.1° |
| O20 | C21 | C23 | H34 | 24.7° | 60.0° |
| C13 | C12 | C11 | H5 | 120.5° | 120.0° |
| C13 | C12 | C11 | H6 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 177.8° | NaN° |
| C13 | C12 | C11 | H3 | 61.6° | 60.0° |
| C13 | C12 | C11 | H4 | 57.2° | 60.0° |
| C13 | C12 | H5 | H6 | 118.5° | 120.0° |
| C12 | C13 | H7 | H8 | 119.0° | 120.0° |
| C12 | C13 | C14 | H9 | 70.8° | 60.0° |
| C12 | C13 | C14 | H10 | 48.3° | 60.0° |
| C12 | C11 | C10 | C09 | 69.3° | 180.0° |
| C12 | C11 | C10 | H3 | 120.6° | 120.0° |
| C12 | C11 | C10 | H4 | 120.6° | 120.0° |
| C12 | C11 | C10 | H1 | 170.1° | 60.0° |
| C12 | C11 | C10 | H2 | 51.4° | 59.9° |
| C12 | C11 | H3 | H4 | 118.2° | 120.0° |
| C11 | C12 | H5 | H6 | 118.5° | 120.1° |
| C11 | C12 | C13 | H7 | 44.9° | 59.9° |
| C11 | C12 | C13 | H8 | 74.4° | 60.0° |
| C07 | C06 | C05 | H22 | 120.5° | 120.0° |
| C07 | C06 | C05 | H23 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 109.4° | 180.0° |
| C06 | C07 | C08 | H24 | 120.6° | 120.0° |
| C06 | C07 | C08 | H25 | 120.7° | 120.0° |
| C07 | C06 | C05 | C04 | 176.4° | 180.0° |
| C07 | C06 | C05 | H20 | 63.1° | 59.9° |
| C07 | C06 | C05 | H21 | 55.9° | 60.0° |
| C07 | C06 | H22 | H23 | 118.4° | 120.0° |
| C06 | C07 | H24 | H25 | 117.9° | 120.0° |
| C06 | C07 | C08 | H26 | 11.0° | 60.0° |
| C06 | C07 | C08 | H27 | 130.3° | 59.9° |
| C05 | C06 | C07 | C08 | 85.2° | NaN° |
| C06 | C05 | C04 | H20 | 120.5° | 120.0° |
| C06 | C05 | C04 | H21 | 120.5° | 120.0° |
| C06 | C05 | C04 | C03 | 147.5° | 180.0° |
| C06 | C05 | C04 | H18 | 27.2° | 60.0° |
| C06 | C05 | C04 | H19 | 92.2° | 60.0° |
| C06 | C05 | H20 | H21 | 118.5° | 119.9° |
| C05 | C06 | H22 | H23 | 118.5° | 120.0° |
| C05 | C06 | C07 | H24 | 154.1° | 60.0° |
| C05 | C06 | C07 | H25 | 35.4° | 60.0° |
| C10 | C09 | C08 | H28 | 120.5° | 120.0° |
| C10 | C09 | C08 | H29 | 120.5° | 120.0° |
| C10 | C09 | C08 | C07 | 173.8° | 180.0° |
| C09 | C10 | C11 | H1 | 120.7° | 120.0° |
| C09 | C10 | C11 | H2 | 120.7° | 120.1° |
| C09 | C10 | H1 | H2 | 117.9° | 120.1° |
| C09 | C10 | C11 | H3 | 170.1° | 60.0° |
| C09 | C10 | C11 | H4 | 51.3° | 60.0° |
| C10 | C09 | C08 | H26 | 65.8° | 60.0° |
| C10 | C09 | C08 | H27 | 53.5° | 60.0° |
| C10 | C09 | H28 | H29 | 118.3° | 120.0° |
| C09 | C08 | C07 | H26 | 120.4° | 120.0° |
| C09 | C08 | C07 | H27 | 120.3° | 120.1° |
| C08 | C09 | C10 | C11 | 123.8° | 180.0° |
| C08 | C09 | C10 | H1 | 3.1° | 60.0° |
| C08 | C09 | C10 | H2 | 115.6° | 60.0° |
| C09 | C08 | C07 | H24 | 11.3° | 60.0° |
| C09 | C08 | C07 | H25 | 129.9° | 60.0° |
| C09 | C08 | H26 | H27 | 118.9° | 120.0° |
| C08 | C09 | H28 | H29 | 118.3° | 120.0° |
| C08 | C07 | C06 | H22 | 154.2° | 60.0° |
| C08 | C07 | C06 | H23 | 35.3° | 59.9° |
| C08 | C07 | H24 | H25 | 117.9° | 120.0° |
| C07 | C08 | H26 | H27 | 118.8° | 120.0° |
| C07 | C08 | C09 | H28 | 53.3° | 60.0° |
| C07 | C08 | C09 | H29 | 65.6° | 60.0° |
| C05 | C04 | C03 | H18 | 120.3° | 120.0° |
| C05 | C04 | C03 | H19 | 120.3° | 119.9° |
| C05 | C04 | C03 | C02 | 171.0° | 179.9° |
| C05 | C04 | C03 | H16 | 50.5° | 60.0° |
| C05 | C04 | C03 | H17 | 68.4° | 60.0° |
| C05 | C04 | H18 | H19 | 119.1° | 120.0° |
| C04 | C05 | H20 | H21 | 118.5° | 120.1° |
| C04 | C05 | C06 | H22 | 55.9° | 60.0° |
| C04 | C05 | C06 | H23 | 63.1° | 60.0° |
| C04 | C03 | C02 | C01 | 158.2° | 180.0° |
| C04 | C03 | C02 | H16 | 120.5° | 119.9° |
| C04 | C03 | C02 | H17 | 120.5° | 120.1° |
| C04 | C03 | C02 | H14 | 81.4° | 60.1° |
| C04 | C03 | C02 | H15 | 37.8° | 59.9° |
| C04 | C03 | H16 | H17 | 118.4° | 120.0° |
| C03 | C04 | H18 | H19 | 119.1° | 120.0° |
| C03 | C04 | C05 | H20 | 92.0° | 60.0° |
| C03 | C04 | C05 | H21 | 27.0° | 60.0° |
| O22 | C21 | C23 | C24 | 33.5° | 0.1° |
| O22 | C21 | C23 | H33 | 87.1° | 120.0° |
| O22 | C21 | C23 | H34 | 154.1° | 119.9° |
| C21 | C23 | C24 | H33 | 120.6° | 120.0° |
| C21 | C23 | C24 | H34 | 120.6° | 120.1° |
| C21 | C23 | C24 | C25 | 166.5° | 180.0° |
| C21 | C23 | H33 | H34 | 118.2° | 120.1° |
| C21 | C23 | C24 | H35 | 46.0° | 60.0° |
| C21 | C23 | C24 | H36 | 73.1° | 59.9° |
| C01 | C02 | C03 | H14 | 120.4° | 119.9° |
| C01 | C02 | C03 | H15 | 120.4° | 120.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.1° |
| C02 | C01 | H12 | H13 | 120.0° | 120.1° |
| C01 | C02 | H14 | H15 | 118.7° | 120.1° |
| C01 | C02 | C03 | H16 | 81.3° | 60.1° |
| C01 | C02 | C03 | H17 | 37.6° | 59.9° |
| C03 | C02 | C01 | H11 | 180.0° | 60.1° |
| C03 | C02 | C01 | H12 | 60.0° | 179.9° |
| C03 | C02 | C01 | H13 | 60.0° | 59.9° |
| C03 | C02 | H14 | H15 | 118.7° | 120.0° |
| C02 | C03 | H16 | H17 | 118.4° | 120.0° |
| C02 | C03 | C04 | H18 | 68.7° | 60.0° |
| C02 | C03 | C04 | H19 | 50.7° | 60.0° |
| C11 | C10 | H1 | H2 | 117.9° | 120.0° |
| C10 | C11 | H3 | H4 | 118.2° | 120.0° |
| C10 | C11 | C12 | H5 | 57.3° | 60.0° |
| C10 | C11 | C12 | H6 | 61.7° | 60.0° |
| C11 | C10 | C09 | H28 | 3.2° | 60.0° |
| C11 | C10 | C09 | H29 | 115.7° | 60.0° |
| C23 | C24 | C25 | H35 | 120.4° | 120.0° |
| C23 | C24 | C25 | H36 | 120.4° | 120.1° |
| C23 | C24 | C25 | C26 | 171.2° | 180.0° |
| C24 | C23 | H33 | H34 | 118.2° | 120.0° |
| C23 | C24 | H35 | H36 | 118.6° | 120.0° |
| C23 | C24 | C25 | H37 | 68.3° | 60.0° |
| C23 | C24 | C25 | H38 | 50.7° | 60.0° |
| C24 | C25 | C26 | H37 | 120.5° | 120.0° |
| C24 | C25 | C26 | H38 | 120.5° | 120.0° |
| C24 | C25 | C26 | C27 | 133.4° | 180.0° |
| C25 | C24 | C23 | H33 | 72.9° | 60.0° |
| C25 | C24 | C23 | H34 | 45.9° | 60.0° |
| C25 | C24 | H35 | H36 | 118.6° | 120.0° |
| C24 | C25 | H37 | H38 | 118.3° | 119.9° |
| C24 | C25 | C26 | H39 | 12.8° | 60.0° |
| C24 | C25 | C26 | H40 | 106.0° | 60.0° |
| C25 | C26 | C27 | H39 | 120.6° | 120.0° |
| C25 | C26 | C27 | H40 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 156.8° | 179.9° |
| C26 | C25 | C24 | H35 | 50.7° | 60.0° |
| C26 | C25 | C24 | H36 | 68.4° | 60.0° |
| C26 | C25 | H37 | H38 | 118.3° | 120.0° |
| C25 | C26 | H39 | H40 | 118.1° | 119.9° |
| C25 | C26 | C27 | H41 | 36.4° | 60.0° |
| C25 | C26 | C27 | H42 | 82.9° | 60.0° |
| C26 | C27 | C28 | H41 | 120.3° | 119.9° |
| C26 | C27 | C28 | H42 | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 163.2° | NaN° |
| C27 | C26 | C25 | H37 | 106.0° | 60.0° |
| C27 | C26 | C25 | H38 | 12.9° | 60.0° |
| C27 | C26 | H39 | H40 | 118.1° | 120.1° |
| C26 | C27 | H41 | H42 | 119.0° | 120.0° |
| C26 | C27 | C28 | H43 | 42.6° | 60.1° |
| C26 | C27 | C28 | H44 | 76.2° | 60.0° |
| C27 | C28 | C29 | H43 | 120.6° | 119.9° |
| C27 | C28 | C29 | H44 | 120.6° | 120.0° |
| C27 | C28 | C29 | C30 | 127.4° | 179.9° |
| C28 | C27 | C26 | H39 | 82.6° | 60.0° |
| C28 | C27 | C26 | H40 | 36.2° | 60.0° |
| C28 | C27 | H41 | H42 | 119.0° | 120.1° |
| C27 | C28 | H43 | H44 | 118.1° | 120.1° |
| C27 | C28 | C29 | H45 | 7.0° | 60.0° |
| C27 | C28 | C29 | H46 | 112.1° | 60.0° |
| C28 | C29 | C30 | H45 | 120.5° | 120.0° |
| C28 | C29 | C30 | H46 | 120.5° | 120.0° |
| C28 | C29 | C30 | C31 | 177.9° | 180.0° |
| C29 | C28 | C27 | H41 | 76.5° | 60.1° |
| C29 | C28 | C27 | H42 | 42.9° | 60.0° |
| C29 | C28 | H43 | H44 | 118.0° | 120.0° |
| C28 | C29 | H45 | H46 | 118.5° | 120.1° |
| C28 | C29 | C30 | H47 | 57.3° | 60.0° |
| C28 | C29 | C30 | H48 | 61.5° | 60.0° |
| C29 | C30 | C31 | C32 | 70.9° | 180.0° |
| C29 | C30 | C31 | H47 | 120.6° | 120.1° |
| C29 | C30 | C31 | H48 | 120.6° | 120.0° |
| C30 | C29 | C28 | H43 | 111.9° | 60.0° |
| C30 | C29 | C28 | H44 | 6.8° | 60.0° |
| C30 | C29 | H45 | H46 | 118.5° | 119.9° |
| C29 | C30 | H47 | H48 | 118.2° | 120.0° |
| C29 | C30 | C31 | H49 | 49.8° | 60.0° |
| C29 | C30 | C31 | H50 | 168.5° | 60.0° |
| C32 | C31 | C30 | H49 | 120.6° | 120.0° |
| C32 | C31 | C30 | H50 | 120.6° | 120.1° |
| C31 | C32 | C33 | H51 | 120.5° | 120.0° |
| C31 | C32 | C33 | H52 | 120.6° | 120.0° |
| C31 | C32 | C33 | C34 | 170.7° | 180.0° |
| C32 | C31 | C30 | H47 | 49.7° | 60.0° |
| C32 | C31 | C30 | H48 | 168.5° | 60.0° |
| C32 | C31 | H49 | H50 | 118.0° | 120.0° |
| C31 | C32 | H51 | H52 | 118.3° | 120.0° |
| C31 | C32 | C33 | H53 | 49.8° | 60.1° |
| C31 | C32 | C33 | H54 | 68.4° | 60.0° |
| C30 | C31 | C32 | C33 | 153.6° | 180.0° |
| C31 | C30 | C29 | H45 | 61.6° | 60.0° |
| C31 | C30 | C29 | H46 | 57.4° | 60.0° |
| C31 | C30 | H47 | H48 | 118.1° | 119.9° |
| C30 | C31 | H49 | H50 | 118.0° | 120.0° |
| C30 | C31 | C32 | H51 | 85.9° | 60.0° |
| C30 | C31 | C32 | H52 | 33.0° | 60.0° |
| C32 | C33 | C34 | H53 | 120.9° | 120.0° |
| C32 | C33 | C34 | H54 | 120.9° | 120.0° |
| C32 | C33 | C34 | C35 | 44.7° | 175.0° |
| C32 | C33 | C34 | C36 | 169.8° | 65.0° |
| C33 | C32 | C31 | H49 | 85.8° | 60.0° |
| C33 | C32 | C31 | H50 | 33.0° | 60.0° |
| C33 | C32 | H51 | H52 | 118.3° | 120.1° |
| C32 | C33 | H53 | H54 | 117.3° | 120.1° |
| C32 | C33 | C34 | H55 | 73.9° | 55.0° |
| C33 | C34 | C35 | C36 | 125.3° | 120.1° |
| C33 | C34 | C35 | H55 | 118.5° | 120.0° |
| C33 | C34 | C36 | H55 | 116.3° | 120.0° |
| C34 | C33 | C32 | H51 | 68.7° | 60.0° |
| C34 | C33 | C32 | H52 | 50.2° | 60.0° |
| C34 | C33 | H53 | H54 | 117.3° | 120.0° |
| C33 | C34 | C35 | H56 | 180.0° | 60.0° |
| C33 | C34 | C35 | H57 | 60.0° | 180.0° |
| C33 | C34 | C35 | H58 | 60.0° | 60.0° |
| C33 | C34 | C36 | H59 | 180.0° | 180.0° |
| C33 | C34 | C36 | H60 | 60.0° | 60.0° |
| C33 | C34 | C36 | H61 | 60.0° | 60.0° |
| C35 | C34 | C36 | H55 | 116.3° | 120.0° |
| C35 | C34 | C33 | H53 | 165.6° | 55.0° |
| C35 | C34 | C33 | H54 | 76.2° | 65.0° |
| C34 | C35 | H56 | H57 | 120.0° | 120.0° |
| C34 | C35 | H56 | H58 | 120.0° | 120.0° |
| C34 | C35 | H57 | H58 | 120.0° | 120.0° |
| C35 | C34 | C36 | H59 | 52.7° | 59.9° |
| C35 | C34 | C36 | H60 | 172.7° | 60.0° |
| C35 | C34 | C36 | H61 | 67.4° | 180.0° |
| C36 | C34 | C33 | H53 | 69.3° | 175.0° |
| C36 | C34 | C33 | H54 | 48.9° | 55.0° |
| C36 | C34 | C35 | H56 | 54.7° | 60.0° |
| C36 | C34 | C35 | H57 | 65.3° | 59.9° |
| C36 | C34 | C35 | H58 | 174.7° | 180.0° |
| C34 | C36 | H59 | H60 | 120.0° | 120.0° |
| C34 | C36 | H59 | H61 | 120.0° | 120.0° |
| C34 | C36 | H60 | H61 | 120.0° | 120.0° |
| H1 | C10 | C11 | H3 | 49.5° | 60.0° |
| H1 | C10 | C11 | H4 | 69.3° | NaN° |
| H1 | C10 | C09 | H28 | 117.5° | 180.0° |
| H1 | C10 | C09 | H29 | 123.6° | 60.0° |
| H2 | C10 | C11 | H3 | 69.2° | 179.9° |
| H2 | C10 | C11 | H4 | 172.0° | 60.1° |
| H2 | C10 | C09 | H28 | 123.9° | 60.0° |
| H2 | C10 | C09 | H29 | 5.0° | 180.0° |
| H3 | C11 | C12 | H5 | 177.9° | 180.0° |
| H3 | C11 | C12 | H6 | 58.9° | 60.0° |
| H4 | C11 | C12 | H5 | 63.3° | 59.9° |
| H4 | C11 | C12 | H6 | 177.7° | 180.0° |
| H5 | C12 | C13 | H7 | 165.4° | 180.0° |
| H5 | C12 | C13 | H8 | 46.1° | 60.0° |
| H6 | C12 | C13 | H7 | 75.6° | 60.0° |
| H6 | C12 | C13 | H8 | 165.1° | 180.0° |
| H7 | C13 | C14 | H9 | 168.8° | 179.9° |
| H7 | C13 | C14 | H10 | 72.0° | 60.0° |
| H8 | C13 | C14 | H9 | 49.5° | 59.9° |
| H8 | C13 | C14 | H10 | 168.7° | 180.0° |
| H11 | C01 | H12 | H13 | 120.0° | 119.9° |
| H11 | C01 | C02 | H14 | 59.6° | 180.0° |
| H11 | C01 | C02 | H15 | 59.6° | 60.0° |
| H12 | C01 | C02 | H14 | 60.4° | 60.0° |
| H12 | C01 | C02 | H15 | 179.6° | 60.0° |
| H13 | C01 | C02 | H14 | 179.6° | 60.0° |
| H13 | C01 | C02 | H15 | 60.4° | 180.0° |
| H14 | C02 | C03 | H16 | 39.1° | 180.0° |
| H14 | C02 | C03 | H17 | 158.1° | 60.0° |
| H15 | C02 | C03 | H16 | 158.3° | 60.0° |
| H15 | C02 | C03 | H17 | 82.8° | 180.0° |
| H16 | C03 | C04 | H18 | 170.8° | 180.0° |
| H16 | C03 | C04 | H19 | 69.8° | 59.9° |
| H17 | C03 | C04 | H18 | 51.8° | 60.1° |
| H17 | C03 | C04 | H19 | 171.3° | 179.9° |
| H18 | C04 | C05 | H20 | 147.7° | 180.0° |
| H18 | C04 | C05 | H21 | 93.3° | 60.0° |
| H19 | C04 | C05 | H20 | 28.3° | 60.0° |
| H19 | C04 | C05 | H21 | 147.3° | 180.0° |
| H20 | C05 | C06 | H22 | 176.4° | 179.9° |
| H20 | C05 | C06 | H23 | 57.4° | 60.1° |
| H21 | C05 | C06 | H22 | 64.6° | 60.0° |
| H21 | C05 | C06 | H23 | 176.4° | 180.0° |
| H22 | C06 | C07 | H24 | 33.6° | 180.0° |
| H22 | C06 | C07 | H25 | 85.1° | 60.0° |
| H23 | C06 | C07 | H24 | 85.4° | 60.0° |
| H23 | C06 | C07 | H25 | 156.0° | 180.0° |
| H24 | C07 | C08 | H26 | 131.7° | 180.0° |
| H24 | C07 | C08 | H27 | 109.1° | 60.1° |
| H25 | C07 | C08 | H26 | 109.7° | 60.0° |
| H25 | C07 | C08 | H27 | 9.6° | 179.9° |
| H26 | C08 | C09 | H28 | 173.7° | 60.0° |
| H26 | C08 | C09 | H29 | 54.8° | 180.0° |
| H27 | C08 | C09 | H28 | 67.0° | 180.0° |
| H27 | C08 | C09 | H29 | 174.0° | 60.0° |
| H30 | C18 | C19 | H31 | 5.8° | 174.9° |
| H30 | C18 | C19 | H32 | 126.5° | 65.1° |
| H30 | C18 | C37 | H62 | 76.5° | 65.0° |
| H30 | C18 | C37 | H63 | 163.1° | 175.0° |
| H33 | C23 | C24 | H35 | 166.6° | 180.0° |
| H33 | C23 | C24 | H36 | 47.5° | 60.0° |
| H34 | C23 | C24 | H35 | 74.6° | 60.0° |
| H34 | C23 | C24 | H36 | 166.3° | 180.0° |
| H35 | C24 | C25 | H37 | 171.3° | 180.0° |
| H35 | C24 | C25 | H38 | 69.8° | 60.0° |
| H36 | C24 | C25 | H37 | 52.2° | 60.1° |
| H36 | C24 | C25 | H38 | 171.1° | 180.0° |
| H37 | C25 | C26 | H39 | 133.3° | 180.0° |
| H37 | C25 | C26 | H40 | 14.6° | 60.0° |
| H38 | C25 | C26 | H39 | 107.7° | 60.0° |
| H38 | C25 | C26 | H40 | 133.5° | 180.0° |
| H39 | C26 | C27 | H41 | 157.1° | 179.9° |
| H39 | C26 | C27 | H42 | 37.7° | 60.0° |
| H40 | C26 | C27 | H41 | 84.2° | 59.9° |
| H40 | C26 | C27 | H42 | 156.5° | 180.0° |
| H41 | C27 | C28 | H43 | 162.9° | 180.0° |
| H41 | C27 | C28 | H44 | 44.1° | 59.9° |
| H42 | C27 | C28 | H43 | 77.7° | 59.9° |
| H42 | C27 | C28 | H44 | 163.5° | 180.0° |
| H43 | C28 | C29 | H45 | 127.6° | 179.9° |
| H43 | C28 | C29 | H46 | 8.5° | 59.9° |
| H44 | C28 | C29 | H45 | 113.7° | 60.0° |
| H44 | C28 | C29 | H46 | 127.3° | 180.0° |
| H45 | C29 | C30 | H47 | 177.8° | 180.0° |
| H45 | C29 | C30 | H48 | 59.0° | 60.0° |
| H46 | C29 | C30 | H47 | 63.2° | 60.0° |
| H46 | C29 | C30 | H48 | 178.0° | 180.0° |
| H47 | C30 | C31 | H49 | 170.4° | 180.0° |
| H47 | C30 | C31 | H50 | 70.9° | 60.1° |
| H48 | C30 | C31 | H49 | 70.9° | 60.0° |
| H48 | C30 | C31 | H50 | 47.9° | 180.0° |
| H49 | C31 | C32 | H51 | 34.7° | 180.0° |
| H49 | C31 | C32 | H52 | 153.7° | 60.0° |
| H50 | C31 | C32 | H51 | 153.5° | 60.0° |
| H50 | C31 | C32 | H52 | 87.6° | 180.0° |
| H51 | C32 | C33 | H53 | 170.4° | 180.0° |
| H51 | C32 | C33 | H54 | 52.2° | 60.0° |
| H52 | C32 | C33 | H53 | 70.7° | 59.9° |
| H52 | C32 | C33 | H54 | 171.1° | 180.0° |
| H53 | C33 | C34 | H55 | 47.0° | 65.0° |
| H54 | C33 | C34 | H55 | 165.2° | 175.0° |
| H55 | C34 | C35 | H56 | 61.5° | 180.0° |
| H55 | C34 | C35 | H57 | 178.5° | 60.0° |
| H55 | C34 | C35 | H58 | 58.5° | 60.0° |
| H55 | C34 | C36 | H59 | 63.7° | 60.0° |
| H55 | C34 | C36 | H60 | 56.3° | 180.0° |
| H55 | C34 | C36 | H61 | 176.3° | 60.0° |
| H56 | C35 | H57 | H58 | 120.0° | 120.0° |
| H59 | C36 | H60 | H61 | 120.0° | 120.0° |
| H64 | C41 | C42 | H66 | 174.9° | 180.0° |
| H64 | C41 | C42 | H67 | 56.0° | 60.0° |
| H65 | C41 | C42 | H66 | 66.2° | 60.0° |
| H65 | C41 | C42 | H67 | 174.9° | 180.0° |
| H66 | C42 | C43 | H68 | 101.1° | 180.0° |
| H66 | C42 | C43 | H69 | 18.0° | 60.0° |
| H67 | C42 | C43 | H68 | 139.9° | 60.0° |
| H67 | C42 | C43 | H69 | 101.0° | 180.0° |
| H68 | C43 | C44 | H70 | 178.5° | 180.0° |
| H68 | C43 | C44 | H71 | 59.2° | 59.9° |
| H69 | C43 | C44 | H70 | 62.4° | 59.9° |
| H69 | C43 | C44 | H71 | 178.3° | NaN° |
| H70 | C44 | C45 | H72 | 152.2° | 180.0° |
| H70 | C44 | C45 | H73 | 88.9° | 59.9° |
| H71 | C44 | C45 | H72 | 32.9° | 60.0° |
| H71 | C44 | C45 | H73 | 151.8° | 180.0° |
| H72 | C45 | C46 | H74 | 179.7° | 180.0° |
| H72 | C45 | C46 | H75 | 60.4° | 60.0° |
| H73 | C45 | C46 | H74 | 61.4° | 60.0° |
| H73 | C45 | C46 | H75 | 179.3° | 180.0° |
| H74 | C46 | C47 | H76 | 14.9° | 180.0° |
| H74 | C46 | C47 | H77 | 104.0° | 59.9° |
| H75 | C46 | C47 | H76 | 104.4° | 60.0° |
| H75 | C46 | C47 | H77 | 136.8° | NaN° |
| H76 | C47 | C48 | H78 | 156.6° | 180.0° |
| H76 | C47 | C48 | H79 | 84.6° | 60.0° |
| H77 | C47 | C48 | H78 | 84.5° | 60.0° |
| H77 | C47 | C48 | H79 | 34.3° | 180.0° |
| H78 | C48 | C49 | H80 | 102.7° | 180.0° |
| H78 | C48 | C49 | H81 | 16.3° | 59.9° |
| H79 | C48 | C49 | H80 | 138.6° | 59.9° |
| H79 | C48 | C49 | H81 | 102.4° | NaN° |
| H80 | C49 | C50 | H82 | 174.5° | 180.0° |
| H80 | C49 | C50 | H83 | 55.2° | 60.1° |
| H81 | C49 | C50 | H82 | 66.5° | 60.0° |
| H81 | C49 | C50 | H83 | 174.2° | 180.0° |
| H82 | C50 | C51 | H84 | 173.8° | 180.0° |
| H82 | C50 | C51 | H85 | 55.6° | 60.0° |
| H83 | C50 | C51 | H84 | 66.9° | 60.0° |
| H83 | C50 | C51 | H85 | 174.9° | 180.0° |
| H84 | C51 | C52 | H86 | 50.9° | 175.0° |
| H85 | C51 | C52 | H86 | 169.1° | 65.1° |
| H86 | C52 | C53 | H87 | 61.5° | 179.9° |
| H86 | C52 | C53 | H88 | 178.5° | 60.0° |
| H86 | C52 | C53 | H89 | 58.5° | 60.0° |
| H86 | C52 | C54 | H90 | 63.4° | 60.0° |
| H86 | C52 | C54 | H91 | 176.6° | 60.0° |
| H86 | C52 | C54 | H92 | 56.6° | 180.0° |
| H87 | C53 | H88 | H89 | 120.0° | 120.0° |
| H90 | C54 | H91 | H92 | 120.0° | 120.0° |
