V8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O59 | P57 | doub | 1.48Å | 1.51Å | |
| O60 | P57 | sing | 1.61Å | 1.51Å | |
| P57 | O58 | sing | 1.61Å | 1.51Å | |
| P57 | O56 | sing | 1.61Å | 1.85Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| O56 | C55 | sing | 1.43Å | 1.34Å | |
| C54 | C52 | sing | 1.53Å | 1.55Å | |
| C54 | C55 | sing | 1.53Å | 1.60Å | |
| C52 | C51 | sing | 1.53Å | 1.55Å | |
| C51 | C50 | sing | 1.53Å | 1.55Å | |
| C50 | C49 | sing | 1.51Å | 1.50Å | |
| C48 | C47 | sing | 1.51Å | 1.50Å | |
| C49 | C47 | doub | 1.33Å | 1.34Å | |
| C47 | C46 | sing | 1.46Å | 1.52Å | |
| C46 | C45 | doub | 1.35Å | 1.54Å | |
| C45 | C44 | sing | 1.46Å | 1.51Å | |
| C43 | C42 | sing | 1.51Å | 1.49Å | |
| C44 | C42 | doub | 1.33Å | 1.34Å | |
| C42 | C41 | sing | 1.51Å | 1.50Å | |
| C41 | C40 | sing | 1.53Å | 1.56Å | |
| C40 | C39 | sing | 1.51Å | 1.53Å | |
| C39 | C37 | doub | 1.31Å | 1.37Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.58Å | |
| C35 | C34 | sing | 1.51Å | 1.54Å | |
| C34 | C32 | doub | 1.31Å | 1.36Å | |
| C08 | C07 | sing | 1.51Å | 1.49Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.59Å | |
| C07 | C09 | doub | 1.31Å | 1.35Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.58Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.51Å | 1.56Å | |
| C29 | C27 | doub | 1.31Å | 1.35Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C04 | C02 | doub | 1.31Å | 1.35Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.51Å | 1.48Å | |
| C02 | C01 | sing | 1.51Å | 1.49Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | doub | 1.31Å | 1.36Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C24 | C22 | doub | 1.31Å | 1.36Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.58Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.57Å | |
| C17 | C19 | doub | 1.31Å | 1.36Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C03 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.08Å | 1.08Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C06 | H27 | sing | 1.09Å | 1.10Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C08 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.08Å | 1.08Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.08Å | 1.08Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C18 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.08Å | 1.08Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.08Å | 1.08Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.08Å | 1.08Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.08Å | 1.08Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.08Å | 1.08Å | |
| C45 | H72 | sing | 1.08Å | 1.08Å | |
| C46 | H73 | sing | 1.08Å | 1.08Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C48 | H76 | sing | 1.09Å | 1.10Å | |
| C49 | H77 | sing | 1.08Å | 1.08Å | |
| C50 | H78 | sing | 1.09Å | 1.10Å | |
| C50 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C52 | H82 | sing | 1.09Å | 1.10Å | |
| C53 | H83 | sing | 1.09Å | 1.10Å | |
| C53 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| C54 | H87 | sing | 1.09Å | 1.10Å | |
| C55 | H88 | sing | 1.09Å | 1.10Å | |
| C55 | H89 | sing | 1.09Å | 1.10Å | |
| O58 | H90 | sing | 0.97Å | 0.95Å | |
| O60 | H91 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O59 | P57 | O60 | 116.5° | 109.5° |
| O59 | P57 | O58 | 116.0° | 109.4° |
| O59 | P57 | O56 | 102.8° | 109.5° |
| O60 | P57 | O58 | 115.6° | 109.5° |
| O60 | P57 | O56 | 100.4° | 109.5° |
| P57 | O60 | H91 | 109.5° | 114.0° |
| O58 | P57 | O56 | 101.9° | 109.4° |
| P57 | O58 | H90 | 109.5° | 114.0° |
| P57 | O56 | C55 | 120.2° | 122.9° |
| C53 | C52 | C54 | 109.1° | 109.5° |
| C53 | C52 | C51 | 108.1° | 109.5° |
| C53 | C52 | H82 | 109.1° | 109.4° |
| C52 | C53 | H83 | 109.5° | 109.5° |
| C52 | C53 | H84 | 109.5° | 109.4° |
| C52 | C53 | H85 | 109.4° | 109.5° |
| O56 | C55 | C54 | 110.3° | 109.4° |
| O56 | C55 | H88 | 109.3° | 109.5° |
| O56 | C55 | H89 | 109.3° | 109.5° |
| C52 | C54 | C55 | 116.0° | 109.5° |
| C54 | C52 | C51 | 113.2° | 109.5° |
| C54 | C52 | H82 | 108.6° | 109.4° |
| C52 | C54 | H86 | 107.8° | 109.4° |
| C52 | C54 | H87 | 107.8° | 109.5° |
| C55 | C54 | H86 | 107.8° | 109.5° |
| C55 | C54 | H87 | 107.8° | 109.5° |
| C54 | C55 | H88 | 109.2° | 109.4° |
| C54 | C55 | H89 | 109.2° | 109.5° |
| C52 | C51 | C50 | 115.8° | 109.5° |
| C52 | C51 | H80 | 107.9° | 109.4° |
| C52 | C51 | H81 | 107.8° | 109.5° |
| C51 | C52 | H82 | 108.7° | 109.4° |
| C51 | C50 | C49 | 115.0° | 109.5° |
| C51 | C50 | H78 | 108.1° | 109.4° |
| C51 | C50 | H79 | 108.1° | 109.5° |
| C50 | C51 | H80 | 107.8° | 109.4° |
| C50 | C51 | H81 | 107.9° | 109.5° |
| C50 | C49 | C47 | 127.6° | 120.0° |
| C50 | C49 | H77 | 116.2° | 120.0° |
| C49 | C50 | H78 | 108.1° | 109.5° |
| C49 | C50 | H79 | 108.0° | 109.5° |
| C48 | C47 | C49 | 118.3° | 120.0° |
| C48 | C47 | C46 | 116.9° | 120.0° |
| C47 | C48 | H74 | 109.5° | 109.4° |
| C47 | C48 | H75 | 109.5° | 109.5° |
| C47 | C48 | H76 | 109.5° | 109.4° |
| C49 | C47 | C46 | 124.8° | 120.0° |
| C47 | C49 | H77 | 116.2° | 120.0° |
| C47 | C46 | C45 | 118.4° | 120.0° |
| C47 | C46 | H73 | 120.8° | 120.0° |
| C46 | C45 | C44 | 116.4° | 120.0° |
| C46 | C45 | H72 | 121.8° | 119.9° |
| C45 | C46 | H73 | 120.8° | 120.0° |
| C45 | C44 | C42 | 128.1° | 120.0° |
| C45 | C44 | H71 | 116.0° | 120.0° |
| C44 | C45 | H72 | 121.8° | 120.0° |
| C43 | C42 | C44 | 120.8° | 120.0° |
| C43 | C42 | C41 | 115.0° | 120.0° |
| C42 | C43 | H68 | 109.5° | 109.4° |
| C42 | C43 | H69 | 109.5° | 109.5° |
| C42 | C43 | H70 | 109.5° | 109.5° |
| C44 | C42 | C41 | 124.1° | 120.0° |
| C42 | C44 | H71 | 116.0° | 120.0° |
| C42 | C41 | C40 | 121.4° | 109.5° |
| C42 | C41 | H66 | 106.4° | 109.5° |
| C42 | C41 | H67 | 106.4° | 109.5° |
| C41 | C40 | C39 | 117.6° | 109.5° |
| C41 | C40 | H64 | 107.4° | 109.5° |
| C41 | C40 | H65 | 107.4° | 109.5° |
| C40 | C41 | H66 | 106.4° | 109.5° |
| C40 | C41 | H67 | 106.4° | 109.4° |
| C40 | C39 | C37 | 133.7° | 120.0° |
| C40 | C39 | H63 | 113.1° | 120.0° |
| C39 | C40 | H64 | 107.4° | 109.5° |
| C39 | C40 | H65 | 107.4° | 109.4° |
| C39 | C37 | C38 | 122.0° | 120.0° |
| C39 | C37 | C36 | 121.8° | 120.0° |
| C37 | C39 | H63 | 113.1° | 120.0° |
| C38 | C37 | C36 | 116.2° | 120.0° |
| C37 | C38 | H60 | 109.5° | 109.5° |
| C37 | C38 | H61 | 109.4° | 109.5° |
| C37 | C38 | H62 | 109.5° | 109.5° |
| C37 | C36 | C35 | 117.9° | 109.5° |
| C37 | C36 | H58 | 107.3° | 109.5° |
| C37 | C36 | H59 | 107.3° | 109.4° |
| C36 | C35 | C34 | 121.9° | 109.4° |
| C36 | C35 | H56 | 106.3° | 109.4° |
| C36 | C35 | H57 | 106.3° | 109.4° |
| C35 | C36 | H58 | 107.3° | 109.5° |
| C35 | C36 | H59 | 107.3° | 109.5° |
| C35 | C34 | C32 | 132.0° | 120.0° |
| C35 | C34 | H55 | 114.0° | 120.0° |
| C34 | C35 | H56 | 106.3° | 109.5° |
| C34 | C35 | H57 | 106.3° | 109.5° |
| C34 | C32 | C33 | 120.9° | 120.0° |
| C34 | C32 | C31 | 124.4° | 120.0° |
| C32 | C34 | H55 | 114.0° | 120.0° |
| C08 | C07 | C09 | 120.3° | 120.0° |
| C08 | C07 | C06 | 114.2° | 120.0° |
| C07 | C08 | H29 | 109.5° | 109.5° |
| C07 | C08 | H30 | 109.5° | 109.5° |
| C07 | C08 | H31 | 109.4° | 109.4° |
| C33 | C32 | C31 | 114.6° | 120.0° |
| C32 | C33 | H52 | 109.5° | 109.5° |
| C32 | C33 | H53 | 109.5° | 109.5° |
| C32 | C33 | H54 | 109.5° | 109.5° |
| C32 | C31 | C30 | 118.4° | 109.5° |
| C32 | C31 | H50 | 107.2° | 109.5° |
| C32 | C31 | H51 | 107.2° | 109.5° |
| C09 | C10 | C11 | 121.0° | 109.4° |
| C10 | C09 | C07 | 126.8° | 120.0° |
| C09 | C10 | H1 | 106.5° | 109.5° |
| C09 | C10 | H2 | 106.5° | 109.5° |
| C10 | C09 | H32 | 116.6° | 120.0° |
| C10 | C11 | C12 | 120.0° | 109.5° |
| C11 | C10 | H1 | 106.5° | 109.5° |
| C11 | C10 | H2 | 106.5° | 109.5° |
| C10 | C11 | H33 | 106.8° | 109.5° |
| C10 | C11 | H34 | 106.8° | 109.5° |
| C09 | C07 | C06 | 125.5° | 120.0° |
| C07 | C09 | H32 | 116.6° | 120.0° |
| C07 | C06 | C05 | 118.6° | 109.5° |
| C07 | C06 | H27 | 107.1° | 109.4° |
| C07 | C06 | H28 | 107.1° | 109.4° |
| C27 | C26 | C25 | 120.5° | 109.4° |
| C26 | C27 | C29 | 125.6° | 120.0° |
| C26 | C27 | C28 | 115.3° | 120.0° |
| C27 | C26 | H13 | 106.7° | 109.5° |
| C27 | C26 | H14 | 106.6° | 109.5° |
| C26 | C25 | C24 | 121.0° | 109.5° |
| C25 | C26 | H13 | 106.6° | 109.5° |
| C25 | C26 | H14 | 106.7° | 109.5° |
| C26 | C25 | H45 | 106.5° | 109.5° |
| C26 | C25 | H46 | 106.5° | 109.5° |
| C03 | C02 | C04 | 122.4° | 120.0° |
| C03 | C02 | C01 | 115.4° | 120.0° |
| C02 | C03 | H21 | 109.5° | 109.5° |
| C02 | C03 | H22 | 109.5° | 109.4° |
| C02 | C03 | H23 | 109.5° | 109.4° |
| C31 | C30 | C29 | 120.7° | 109.5° |
| C31 | C30 | H48 | 106.6° | 109.5° |
| C31 | C30 | H49 | 106.6° | 109.5° |
| C30 | C31 | H50 | 107.2° | 109.5° |
| C30 | C31 | H51 | 107.2° | 109.4° |
| C11 | C12 | C14 | 126.4° | 120.0° |
| C11 | C12 | C13 | 116.8° | 120.1° |
| C12 | C11 | H33 | 106.8° | 109.5° |
| C12 | C11 | H34 | 106.7° | 109.4° |
| C27 | C29 | C30 | 124.6° | 120.0° |
| C29 | C27 | C28 | 119.0° | 120.0° |
| C27 | C29 | H47 | 117.7° | 120.0° |
| C30 | C29 | H47 | 117.7° | 120.0° |
| C29 | C30 | H48 | 106.6° | 109.4° |
| C29 | C30 | H49 | 106.6° | 109.4° |
| C02 | C04 | C05 | 125.8° | 120.0° |
| C04 | C02 | C01 | 122.2° | 120.0° |
| C02 | C04 | H24 | 117.1° | 120.0° |
| C04 | C05 | C06 | 118.2° | 109.5° |
| C05 | C04 | H24 | 117.1° | 120.0° |
| C04 | C05 | H25 | 107.2° | 109.5° |
| C04 | C05 | H26 | 107.3° | 109.5° |
| C06 | C05 | H25 | 107.2° | 109.5° |
| C06 | C05 | H26 | 107.2° | 109.5° |
| C05 | C06 | H27 | 107.1° | 109.5° |
| C05 | C06 | H28 | 107.1° | 109.5° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| C27 | C28 | H16 | 109.5° | 109.4° |
| C27 | C28 | H17 | 109.4° | 109.5° |
| C02 | C01 | H18 | 109.5° | 109.5° |
| C02 | C01 | H19 | 109.5° | 109.5° |
| C02 | C01 | H20 | 109.5° | 109.5° |
| C25 | C24 | C22 | 129.9° | 120.0° |
| C25 | C24 | H12 | 115.0° | 120.0° |
| C24 | C25 | H45 | 106.5° | 109.4° |
| C24 | C25 | H46 | 106.5° | 109.5° |
| C14 | C12 | C13 | 116.8° | 120.0° |
| C12 | C14 | C15 | 124.1° | 120.0° |
| C12 | C14 | H35 | 118.0° | 120.0° |
| C12 | C13 | H3 | 109.5° | 109.4° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C24 | C22 | C21 | 123.7° | 120.0° |
| C24 | C22 | C23 | 120.3° | 120.0° |
| C22 | C24 | H12 | 115.0° | 120.0° |
| C14 | C15 | C16 | 122.7° | 109.5° |
| C14 | C15 | H6 | 106.0° | 109.5° |
| C14 | C15 | H7 | 106.1° | 109.5° |
| C15 | C14 | H35 | 118.0° | 120.1° |
| C21 | C22 | C23 | 116.0° | 120.0° |
| C22 | C21 | C20 | 117.9° | 109.4° |
| C22 | C21 | H10 | 107.3° | 109.5° |
| C22 | C21 | H11 | 107.3° | 109.5° |
| C22 | C23 | H42 | 109.5° | 109.4° |
| C22 | C23 | H43 | 109.4° | 109.5° |
| C22 | C23 | H44 | 109.4° | 109.5° |
| C15 | C16 | C17 | 117.5° | 109.5° |
| C16 | C15 | H6 | 106.1° | 109.4° |
| C16 | C15 | H7 | 106.1° | 109.5° |
| C15 | C16 | H36 | 107.4° | 109.4° |
| C15 | C16 | H37 | 107.4° | 109.5° |
| C16 | C17 | C19 | 127.1° | 120.0° |
| C16 | C17 | C18 | 115.0° | 120.0° |
| C17 | C16 | H36 | 107.4° | 109.4° |
| C17 | C16 | H37 | 107.5° | 109.5° |
| C21 | C20 | C19 | 119.7° | 109.4° |
| C21 | C20 | H8 | 106.9° | 109.5° |
| C21 | C20 | H9 | 106.9° | 109.5° |
| C20 | C21 | H10 | 107.3° | 109.5° |
| C20 | C21 | H11 | 107.3° | 109.5° |
| C19 | C17 | C18 | 117.9° | 120.0° |
| C17 | C19 | C20 | 125.0° | 119.9° |
| C17 | C19 | H41 | 117.5° | 120.0° |
| C17 | C18 | H38 | 109.5° | 109.4° |
| C17 | C18 | H39 | 109.5° | 109.5° |
| C17 | C18 | H40 | 109.5° | 109.5° |
| C19 | C20 | H8 | 106.9° | 109.5° |
| C19 | C20 | H9 | 106.9° | 109.4° |
| C20 | C19 | H41 | 117.5° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.4° |
| H15 | C28 | H17 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C01 | H19 | 109.5° | 109.4° |
| H18 | C01 | H20 | 109.4° | 109.5° |
| H19 | C01 | H20 | 109.5° | 109.4° |
| H21 | C03 | H22 | 109.5° | 109.5° |
| H21 | C03 | H23 | 109.5° | 109.5° |
| H22 | C03 | H23 | 109.5° | 109.4° |
| H25 | C05 | H26 | 109.5° | 109.5° |
| H27 | C06 | H28 | 109.5° | 109.5° |
| H29 | C08 | H30 | 109.5° | 109.5° |
| H29 | C08 | H31 | 109.5° | 109.5° |
| H30 | C08 | H31 | 109.5° | 109.5° |
| H33 | C11 | H34 | 109.5° | 109.5° |
| H36 | C16 | H37 | 109.5° | 109.5° |
| H38 | C18 | H39 | 109.5° | 109.5° |
| H38 | C18 | H40 | 109.5° | 109.5° |
| H39 | C18 | H40 | 109.5° | 109.5° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| H42 | C23 | H44 | 109.5° | 109.5° |
| H43 | C23 | H44 | 109.5° | 109.5° |
| H45 | C25 | H46 | 109.4° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.4° |
| H50 | C31 | H51 | 109.4° | 109.5° |
| H52 | C33 | H53 | 109.5° | 109.5° |
| H52 | C33 | H54 | 109.5° | 109.4° |
| H53 | C33 | H54 | 109.4° | 109.4° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| H58 | C36 | H59 | 109.5° | 109.5° |
| H60 | C38 | H61 | 109.5° | 109.5° |
| H60 | C38 | H62 | 109.5° | 109.5° |
| H61 | C38 | H62 | 109.5° | 109.4° |
| H64 | C40 | H65 | 109.5° | 109.5° |
| H66 | C41 | H67 | 109.5° | 109.5° |
| H68 | C43 | H69 | 109.5° | 109.4° |
| H68 | C43 | H70 | 109.4° | 109.5° |
| H69 | C43 | H70 | 109.5° | 109.5° |
| H74 | C48 | H75 | 109.5° | 109.5° |
| H74 | C48 | H76 | 109.4° | 109.4° |
| H75 | C48 | H76 | 109.5° | 109.5° |
| H78 | C50 | H79 | 109.5° | 109.4° |
| H80 | C51 | H81 | 109.5° | 109.4° |
| H83 | C53 | H84 | 109.5° | 109.4° |
| H83 | C53 | H85 | 109.5° | 109.4° |
| H84 | C53 | H85 | 109.5° | 109.4° |
| H86 | C54 | H87 | 109.5° | 109.4° |
| H88 | C55 | H89 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O59 | P57 | O60 | O58 | 141.4° | 120.0° |
| O59 | P57 | O60 | O56 | 110.0° | 120.0° |
| O59 | P57 | O58 | O56 | 110.7° | 120.0° |
| O59 | P57 | O56 | C55 | 130.1° | 55.0° |
| O59 | P57 | O58 | H90 | 0.0° | 60.0° |
| O59 | P57 | O60 | H91 | 0.0° | 180.0° |
| O60 | P57 | O58 | O56 | 107.7° | 120.0° |
| O60 | P57 | O56 | C55 | 9.7° | 65.0° |
| O60 | P57 | O58 | H90 | 141.5° | 60.0° |
| O58 | P57 | O56 | C55 | 109.4° | 175.0° |
| O58 | P57 | O60 | H91 | 141.4° | 60.0° |
| P57 | O56 | C55 | C54 | 117.2° | 180.0° |
| P57 | O56 | C55 | H88 | 2.9° | 60.0° |
| P57 | O56 | C55 | H89 | 122.6° | 60.0° |
| O56 | P57 | O58 | H90 | 110.7° | 180.0° |
| O56 | P57 | O60 | H91 | 110.0° | 60.0° |
| C53 | C52 | C54 | C51 | 120.3° | 120.1° |
| C53 | C52 | C54 | H82 | 118.8° | 119.9° |
| C53 | C52 | C54 | C55 | 163.4° | 64.9° |
| C53 | C52 | C51 | H82 | 118.3° | 120.0° |
| C53 | C52 | C51 | C50 | 49.3° | 64.9° |
| C53 | C52 | C51 | H80 | 170.2° | 55.0° |
| C53 | C52 | C51 | H81 | 71.7° | 175.0° |
| C52 | C53 | H83 | H84 | 120.0° | 120.0° |
| C52 | C53 | H83 | H85 | 120.0° | 120.1° |
| C52 | C53 | H84 | H85 | 120.0° | 120.1° |
| C53 | C52 | C54 | H86 | 42.5° | 55.1° |
| C53 | C52 | C54 | H87 | 75.6° | 175.0° |
| O56 | C55 | C54 | C52 | 165.5° | 180.0° |
| O56 | C55 | C54 | H88 | 120.1° | 120.0° |
| O56 | C55 | C54 | H89 | 120.1° | 120.0° |
| O56 | C55 | C54 | H86 | 44.5° | 60.0° |
| O56 | C55 | C54 | H87 | 73.6° | 60.0° |
| O56 | C55 | H88 | H89 | 119.6° | 120.0° |
| C52 | C54 | C55 | H86 | 121.0° | 120.0° |
| C52 | C54 | C55 | H87 | 120.9° | 120.1° |
| C54 | C52 | C51 | H82 | 120.8° | 120.0° |
| C54 | C52 | C51 | C50 | 170.2° | 175.0° |
| C54 | C52 | C51 | H80 | 68.9° | 65.0° |
| C54 | C52 | C51 | H81 | 49.2° | 54.9° |
| C54 | C52 | C53 | H83 | 180.0° | 180.0° |
| C54 | C52 | C53 | H84 | 60.0° | 60.1° |
| C54 | C52 | C53 | H85 | 60.0° | 59.9° |
| C52 | C54 | H86 | H87 | 117.0° | 119.9° |
| C52 | C54 | C55 | H88 | 45.4° | 60.0° |
| C52 | C54 | C55 | H89 | 74.4° | 60.0° |
| C55 | C54 | C52 | C51 | 76.2° | 175.0° |
| C55 | C54 | C52 | H82 | 44.7° | 55.0° |
| C55 | C54 | H86 | H87 | 117.0° | 120.0° |
| C54 | C55 | H88 | H89 | 119.6° | 120.0° |
| C52 | C51 | C50 | H80 | 120.9° | 120.0° |
| C52 | C51 | C50 | H81 | 120.9° | 120.1° |
| C52 | C51 | C50 | C49 | 158.1° | 180.0° |
| C52 | C51 | C50 | H78 | 37.3° | 60.0° |
| C52 | C51 | C50 | H79 | 81.1° | 59.9° |
| C52 | C51 | H80 | H81 | 117.1° | 120.0° |
| C51 | C52 | C53 | H83 | 56.6° | 60.0° |
| C51 | C52 | C53 | H84 | 63.4° | 60.0° |
| C51 | C52 | C53 | H85 | 176.6° | 180.0° |
| C51 | C52 | C54 | H86 | 162.8° | 65.0° |
| C51 | C52 | C54 | H87 | 44.7° | 54.9° |
| C51 | C50 | C49 | H78 | 120.8° | 120.0° |
| C51 | C50 | C49 | H79 | 120.8° | 120.0° |
| C51 | C50 | C49 | C47 | 155.6° | 123.4° |
| C51 | C50 | C49 | H77 | 24.4° | 56.6° |
| C51 | C50 | H78 | H79 | 117.5° | 120.0° |
| C50 | C51 | H80 | H81 | 117.1° | 120.0° |
| C50 | C51 | C52 | H82 | 69.0° | 55.0° |
| C50 | C49 | C47 | C48 | 0.6° | 5.0° |
| C50 | C49 | C47 | H77 | 180.0° | 180.0° |
| C50 | C49 | C47 | C46 | 179.8° | 175.0° |
| C49 | C50 | H78 | H79 | 117.4° | 120.0° |
| C49 | C50 | C51 | H80 | 80.9° | 60.0° |
| C49 | C50 | C51 | H81 | 37.2° | 60.0° |
| C48 | C47 | C49 | C46 | 179.5° | 180.0° |
| C48 | C47 | C46 | C45 | 54.4° | 5.1° |
| C48 | C47 | C46 | H73 | 125.6° | 174.8° |
| C47 | C48 | H74 | H75 | 120.0° | 120.0° |
| C47 | C48 | H74 | H76 | 120.0° | 119.9° |
| C47 | C48 | H75 | H76 | 120.0° | 120.0° |
| C48 | C47 | C49 | H77 | 179.4° | 175.0° |
| C49 | C47 | C46 | C45 | 125.2° | 174.9° |
| C49 | C47 | C46 | H73 | 54.8° | 5.2° |
| C49 | C47 | C48 | H74 | 180.0° | 175.0° |
| C49 | C47 | C48 | H75 | 60.0° | 65.0° |
| C49 | C47 | C48 | H76 | 60.0° | 55.0° |
| C47 | C49 | C50 | H78 | 34.7° | 116.7° |
| C47 | C49 | C50 | H79 | 83.6° | 3.3° |
| C47 | C46 | C45 | H73 | 180.0° | 179.9° |
| C47 | C46 | C45 | C44 | 168.6° | 174.8° |
| C47 | C46 | C45 | H72 | 11.4° | 5.2° |
| C46 | C47 | C48 | H74 | 0.4° | 5.0° |
| C46 | C47 | C48 | H75 | 120.4° | 115.0° |
| C46 | C47 | C48 | H76 | 119.6° | 124.9° |
| C46 | C47 | C49 | H77 | 0.2° | 5.0° |
| C46 | C45 | C44 | H72 | 180.0° | 180.0° |
| C46 | C45 | C44 | C42 | 151.7° | 180.0° |
| C46 | C45 | C44 | H71 | 28.3° | 0.0° |
| C45 | C44 | C42 | C43 | 0.1° | 0.1° |
| C45 | C44 | C42 | H71 | 180.0° | 180.0° |
| C45 | C44 | C42 | C41 | 179.9° | 180.0° |
| C44 | C45 | C46 | H73 | 11.4° | 5.2° |
| C43 | C42 | C44 | C41 | 179.9° | 179.9° |
| C43 | C42 | C41 | C40 | 17.7° | 85.0° |
| C43 | C42 | C41 | H66 | 103.9° | 155.0° |
| C43 | C42 | C41 | H67 | 139.4° | 35.0° |
| C42 | C43 | H68 | H69 | 120.0° | 120.0° |
| C42 | C43 | H68 | H70 | 120.0° | 120.0° |
| C42 | C43 | H69 | H70 | 120.0° | 120.0° |
| C43 | C42 | C44 | H71 | 179.9° | 180.0° |
| C44 | C42 | C41 | C40 | 162.3° | 95.0° |
| C44 | C42 | C41 | H66 | 76.0° | 24.9° |
| C44 | C42 | C41 | H67 | 40.7° | 145.0° |
| C44 | C42 | C43 | H68 | 180.0° | 90.0° |
| C44 | C42 | C43 | H69 | 60.0° | 29.9° |
| C44 | C42 | C43 | H70 | 60.0° | 149.9° |
| C42 | C44 | C45 | H72 | 28.3° | 0.0° |
| C42 | C41 | C40 | H66 | 121.7° | 120.0° |
| C42 | C41 | C40 | H67 | 121.6° | 120.0° |
| C42 | C41 | C40 | C39 | 151.1° | 180.0° |
| C42 | C41 | C40 | H64 | 87.8° | 60.0° |
| C42 | C41 | C40 | H65 | 29.9° | 60.0° |
| C42 | C41 | H66 | H67 | 114.6° | 120.0° |
| C41 | C42 | C43 | H68 | 0.0° | 90.0° |
| C41 | C42 | C43 | H69 | 120.1° | 150.0° |
| C41 | C42 | C43 | H70 | 120.0° | 30.0° |
| C41 | C42 | C44 | H71 | 0.1° | 0.0° |
| C41 | C40 | C39 | H64 | 121.1° | 120.0° |
| C41 | C40 | C39 | H65 | 121.2° | 120.0° |
| C41 | C40 | C39 | C37 | 40.9° | 120.9° |
| C41 | C40 | C39 | H63 | 139.1° | 59.1° |
| C41 | C40 | H64 | H65 | 116.3° | 120.0° |
| C40 | C41 | H66 | H67 | 114.6° | 120.0° |
| C40 | C39 | C37 | H63 | 180.0° | 179.9° |
| C40 | C39 | C37 | C38 | 1.2° | 5.3° |
| C40 | C39 | C37 | C36 | 178.8° | 174.7° |
| C39 | C40 | H64 | H65 | 116.3° | 119.9° |
| C39 | C40 | C41 | H66 | 29.4° | 60.0° |
| C39 | C40 | C41 | H67 | 87.3° | 60.0° |
| C39 | C37 | C38 | C36 | 180.0° | 180.0° |
| C39 | C37 | C36 | C35 | 175.2° | 95.0° |
| C39 | C37 | C36 | H58 | 63.6° | 25.0° |
| C39 | C37 | C36 | H59 | 54.0° | 145.0° |
| C39 | C37 | C38 | H60 | 180.0° | 175.0° |
| C39 | C37 | C38 | H61 | 60.0° | 65.0° |
| C39 | C37 | C38 | H62 | 60.0° | 55.0° |
| C37 | C39 | C40 | H64 | 80.2° | 119.1° |
| C37 | C39 | C40 | H65 | 162.1° | 0.9° |
| C38 | C37 | C36 | C35 | 4.8° | 85.0° |
| C38 | C37 | C36 | H58 | 116.4° | 155.0° |
| C38 | C37 | C36 | H59 | 126.0° | 35.0° |
| C37 | C38 | H60 | H61 | 120.0° | 120.0° |
| C37 | C38 | H60 | H62 | 120.0° | 120.0° |
| C37 | C38 | H61 | H62 | 120.0° | 120.0° |
| C38 | C37 | C39 | H63 | 178.8° | 174.7° |
| C37 | C36 | C35 | H58 | 121.2° | 120.0° |
| C37 | C36 | C35 | H59 | 121.2° | 120.0° |
| C37 | C36 | C35 | C34 | 159.1° | 180.0° |
| C37 | C36 | C35 | H56 | 37.4° | 60.0° |
| C37 | C36 | C35 | H57 | 79.2° | 60.0° |
| C37 | C36 | H58 | H59 | 116.2° | 120.0° |
| C36 | C37 | C38 | H60 | 0.0° | 5.0° |
| C36 | C37 | C38 | H61 | 120.0° | 115.0° |
| C36 | C37 | C38 | H62 | 120.0° | 125.0° |
| C36 | C37 | C39 | H63 | 1.2° | 5.3° |
| C36 | C35 | C34 | H56 | 121.7° | 119.9° |
| C36 | C35 | C34 | H57 | 121.7° | 120.0° |
| C36 | C35 | C34 | C32 | 38.2° | 120.9° |
| C36 | C35 | C34 | H55 | 141.8° | 59.1° |
| C36 | C35 | H56 | H57 | 114.4° | 119.9° |
| C35 | C36 | H58 | H59 | 116.2° | 120.1° |
| C35 | C34 | C32 | H55 | 180.0° | 180.0° |
| C35 | C34 | C32 | C33 | 4.1° | 5.3° |
| C35 | C34 | C32 | C31 | 179.3° | 174.7° |
| C34 | C35 | H56 | H57 | 114.4° | 120.1° |
| C34 | C35 | C36 | H58 | 79.7° | 60.0° |
| C34 | C35 | C36 | H59 | 37.9° | 60.0° |
| C34 | C32 | C33 | C31 | 176.9° | 180.0° |
| C34 | C32 | C31 | C30 | 168.3° | 95.0° |
| C34 | C32 | C31 | H50 | 70.4° | 25.0° |
| C34 | C32 | C31 | H51 | 47.1° | 145.0° |
| C34 | C32 | C33 | H52 | 180.0° | 175.0° |
| C34 | C32 | C33 | H53 | 60.0° | 64.9° |
| C34 | C32 | C33 | H54 | 60.0° | 55.0° |
| C32 | C34 | C35 | H56 | 160.0° | 119.2° |
| C32 | C34 | C35 | H57 | 83.5° | 0.9° |
| C08 | C07 | C09 | C10 | 0.1° | 6.0° |
| C08 | C07 | C09 | C06 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 139.6° | 85.0° |
| C08 | C07 | C06 | H27 | 99.1° | 155.0° |
| C08 | C07 | C06 | H28 | 18.3° | 35.0° |
| C07 | C08 | H29 | H30 | 120.0° | 120.0° |
| C07 | C08 | H29 | H31 | 120.0° | 120.0° |
| C07 | C08 | H30 | H31 | 119.9° | 119.9° |
| C08 | C07 | C09 | H32 | 179.8° | 174.0° |
| C33 | C32 | C31 | C30 | 8.5° | 85.0° |
| C33 | C32 | C31 | H50 | 112.8° | 155.0° |
| C33 | C32 | C31 | H51 | 129.7° | 35.0° |
| C32 | C33 | H52 | H53 | 120.0° | 120.1° |
| C32 | C33 | H52 | H54 | 120.0° | 120.0° |
| C32 | C33 | H53 | H54 | 120.0° | 120.0° |
| C33 | C32 | C34 | H55 | 175.9° | 174.7° |
| C32 | C31 | C30 | H50 | 121.3° | 120.0° |
| C32 | C31 | C30 | H51 | 121.3° | 120.0° |
| C32 | C31 | C30 | C29 | 84.2° | 180.0° |
| C32 | C31 | C30 | H48 | 154.3° | 60.0° |
| C32 | C31 | C30 | H49 | 37.4° | 60.0° |
| C32 | C31 | H50 | H51 | 116.0° | 120.1° |
| C31 | C32 | C33 | H52 | 3.1° | 5.0° |
| C31 | C32 | C33 | H53 | 116.9° | 115.1° |
| C31 | C32 | C33 | H54 | 123.1° | 125.0° |
| C31 | C32 | C34 | H55 | 0.7° | 5.3° |
| C09 | C10 | C11 | H1 | 121.6° | 120.0° |
| C09 | C10 | C11 | H2 | 121.6° | 120.0° |
| C10 | C09 | C07 | H32 | 180.0° | 180.0° |
| C10 | C09 | C07 | C06 | 180.0° | 174.0° |
| C09 | C10 | C11 | C12 | 72.6° | 180.0° |
| C09 | C10 | H1 | H2 | 114.8° | 120.0° |
| C09 | C10 | C11 | H33 | 48.9° | 60.0° |
| C09 | C10 | C11 | H34 | 166.0° | 60.1° |
| C11 | C10 | C09 | C07 | 171.8° | 120.3° |
| C10 | C11 | C12 | H33 | 121.5° | 120.0° |
| C10 | C11 | C12 | H34 | 121.5° | 120.0° |
| C10 | C11 | C12 | C14 | 148.2° | 95.0° |
| C10 | C11 | C12 | C13 | 30.9° | 85.0° |
| C11 | C10 | H1 | H2 | 114.8° | 120.0° |
| C11 | C10 | C09 | H32 | 8.3° | 59.8° |
| C10 | C11 | H33 | H34 | 115.3° | 120.0° |
| C09 | C07 | C06 | C05 | 40.3° | 95.0° |
| C07 | C09 | C10 | H1 | 66.6° | 119.7° |
| C07 | C09 | C10 | H2 | 50.1° | 0.3° |
| C09 | C07 | C06 | H27 | 81.0° | 25.0° |
| C09 | C07 | C06 | H28 | 161.6° | 145.0° |
| C09 | C07 | C08 | H29 | 180.0° | 86.0° |
| C09 | C07 | C08 | H30 | 60.0° | 153.9° |
| C09 | C07 | C08 | H31 | 60.0° | 34.0° |
| C07 | C06 | C05 | C04 | 75.9° | 180.0° |
| C07 | C06 | C05 | H27 | 121.3° | 120.0° |
| C07 | C06 | C05 | H28 | 121.3° | 120.0° |
| C07 | C06 | C05 | H25 | 162.9° | 60.0° |
| C07 | C06 | C05 | H26 | 45.4° | 60.0° |
| C07 | C06 | H27 | H28 | 115.9° | 120.0° |
| C06 | C07 | C08 | H29 | 0.2° | 93.9° |
| C06 | C07 | C08 | H30 | 120.2° | 26.1° |
| C06 | C07 | C08 | H31 | 119.9° | 146.1° |
| C06 | C07 | C09 | H32 | 0.0° | 6.0° |
| C27 | C26 | C25 | H13 | 121.6° | 120.0° |
| C27 | C26 | C25 | H14 | 121.5° | 120.0° |
| C26 | C27 | C29 | C28 | 178.6° | 180.0° |
| C26 | C27 | C29 | C30 | 178.8° | 174.9° |
| C27 | C26 | C25 | C24 | 101.7° | 180.0° |
| C27 | C26 | H13 | H14 | 115.0° | 120.0° |
| C26 | C27 | C28 | H15 | 180.0° | 4.5° |
| C26 | C27 | C28 | H16 | 60.0° | 124.5° |
| C26 | C27 | C28 | H17 | 60.0° | 115.5° |
| C27 | C26 | C25 | H45 | 19.9° | 60.1° |
| C27 | C26 | C25 | H46 | 136.7° | 60.0° |
| C26 | C27 | C29 | H47 | 1.1° | 5.0° |
| C25 | C26 | C27 | C29 | 114.3° | 95.0° |
| C25 | C26 | C27 | C28 | 64.4° | 85.0° |
| C26 | C25 | C24 | H45 | 121.6° | 120.0° |
| C26 | C25 | C24 | H46 | 121.6° | 120.1° |
| C26 | C25 | C24 | C22 | 93.3° | 123.3° |
| C26 | C25 | C24 | H12 | 86.7° | 56.7° |
| C25 | C26 | H13 | H14 | 115.0° | 120.0° |
| C26 | C25 | H45 | H46 | 114.8° | 120.1° |
| C03 | C02 | C04 | C01 | 179.8° | 180.0° |
| C03 | C02 | C04 | C05 | 179.9° | 174.7° |
| C03 | C02 | C01 | H18 | 180.0° | 4.9° |
| C03 | C02 | C01 | H19 | 60.0° | 124.9° |
| C03 | C02 | C01 | H20 | 60.0° | 115.2° |
| C02 | C03 | H21 | H22 | 120.0° | 120.0° |
| C02 | C03 | H21 | H23 | 120.0° | 120.0° |
| C02 | C03 | H22 | H23 | 120.0° | 119.9° |
| C03 | C02 | C04 | H24 | 0.1° | 5.2° |
| C31 | C30 | C29 | C27 | 94.9° | 123.3° |
| C31 | C30 | C29 | H48 | 121.6° | 120.0° |
| C31 | C30 | C29 | H49 | 121.6° | 120.0° |
| C31 | C30 | C29 | H47 | 85.1° | 56.7° |
| C31 | C30 | H48 | H49 | 114.9° | 120.0° |
| C30 | C31 | H50 | H51 | 116.0° | 119.9° |
| C11 | C12 | C14 | C13 | 179.1° | 180.0° |
| C11 | C12 | C14 | C15 | 179.6° | 174.7° |
| C12 | C11 | C10 | H1 | 165.8° | 59.9° |
| C12 | C11 | C10 | H2 | 49.1° | 60.1° |
| C11 | C12 | C13 | H3 | 180.0° | 4.9° |
| C11 | C12 | C13 | H4 | 60.0° | 124.8° |
| C11 | C12 | C13 | H5 | 60.0° | 115.1° |
| C12 | C11 | H33 | H34 | 115.2° | 119.9° |
| C11 | C12 | C14 | H35 | 0.4° | 5.2° |
| C27 | C29 | C30 | H47 | 180.0° | 180.0° |
| C29 | C27 | C26 | H13 | 7.2° | 25.0° |
| C29 | C27 | C26 | H14 | 124.1° | 145.0° |
| C29 | C27 | C28 | H15 | 1.2° | 175.5° |
| C29 | C27 | C28 | H16 | 118.8° | 55.6° |
| C29 | C27 | C28 | H17 | 121.2° | 64.5° |
| C27 | C29 | C30 | H48 | 26.6° | 116.7° |
| C27 | C29 | C30 | H49 | 143.5° | 3.2° |
| C30 | C29 | C27 | C28 | 0.2° | 5.1° |
| C29 | C30 | H48 | H49 | 114.9° | 119.9° |
| C29 | C30 | C31 | H50 | 37.1° | 60.0° |
| C29 | C30 | C31 | H51 | 154.5° | 60.0° |
| C02 | C04 | C05 | H24 | 180.0° | 179.9° |
| C02 | C04 | C05 | C06 | 162.3° | 123.3° |
| C04 | C02 | C01 | H18 | 0.2° | 175.1° |
| C04 | C02 | C01 | H19 | 120.3° | 55.1° |
| C04 | C02 | C01 | H20 | 119.8° | 64.8° |
| C04 | C02 | C03 | H21 | 180.0° | 90.0° |
| C04 | C02 | C03 | H22 | 60.0° | 30.0° |
| C04 | C02 | C03 | H23 | 60.0° | 150.0° |
| C02 | C04 | C05 | H25 | 76.5° | 116.8° |
| C02 | C04 | C05 | H26 | 41.1° | 3.3° |
| C04 | C05 | C06 | H25 | 121.2° | 120.0° |
| C04 | C05 | C06 | H26 | 121.2° | 120.0° |
| C05 | C04 | C02 | C01 | 0.2° | 5.3° |
| C04 | C05 | H25 | H26 | 116.1° | 120.0° |
| C04 | C05 | C06 | H27 | 162.8° | 60.0° |
| C04 | C05 | C06 | H28 | 45.4° | 60.0° |
| C06 | C05 | C04 | H24 | 17.7° | 56.8° |
| C06 | C05 | H25 | H26 | 116.0° | 120.0° |
| C05 | C06 | H27 | H28 | 115.8° | 120.1° |
| C28 | C27 | C26 | H13 | 174.1° | 155.0° |
| C28 | C27 | C26 | H14 | 57.2° | 35.0° |
| C27 | C28 | H15 | H16 | 120.0° | 119.9° |
| C27 | C28 | H15 | H17 | 120.0° | 120.0° |
| C27 | C28 | H16 | H17 | 120.0° | 120.0° |
| C28 | C27 | C29 | H47 | 179.8° | 175.0° |
| C02 | C01 | H18 | H19 | 120.0° | 120.0° |
| C02 | C01 | H18 | H20 | 120.0° | 120.1° |
| C02 | C01 | H19 | H20 | 120.0° | 120.0° |
| C01 | C02 | C03 | H21 | 0.2° | 90.0° |
| C01 | C02 | C03 | H22 | 120.2° | 150.0° |
| C01 | C02 | C03 | H23 | 119.8° | 30.0° |
| C01 | C02 | C04 | H24 | 179.8° | 174.8° |
| C25 | C24 | C22 | H12 | 180.0° | 179.9° |
| C25 | C24 | C22 | C21 | 179.5° | 174.9° |
| C25 | C24 | C22 | C23 | 0.9° | 5.0° |
| C24 | C25 | C26 | H13 | 136.7° | 60.0° |
| C24 | C25 | C26 | H14 | 19.8° | 60.0° |
| C24 | C25 | H45 | H46 | 114.8° | 120.0° |
| C12 | C14 | C15 | H35 | 180.0° | 179.9° |
| C12 | C14 | C15 | C16 | 159.6° | 123.3° |
| C14 | C12 | C13 | H3 | 0.8° | 175.1° |
| C14 | C12 | C13 | H4 | 119.2° | 55.1° |
| C14 | C12 | C13 | H5 | 120.8° | 64.9° |
| C12 | C14 | C15 | H6 | 37.7° | 116.8° |
| C12 | C14 | C15 | H7 | 78.6° | 3.3° |
| C14 | C12 | C11 | H33 | 90.3° | 25.0° |
| C14 | C12 | C11 | H34 | 26.7° | 145.0° |
| C13 | C12 | C14 | C15 | 0.6° | 5.3° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C12 | C11 | H33 | 90.6° | 155.0° |
| C13 | C12 | C11 | H34 | 152.4° | 35.0° |
| C13 | C12 | C14 | H35 | 179.5° | 174.8° |
| C24 | C22 | C21 | C23 | 179.6° | 180.0° |
| C24 | C22 | C21 | C20 | 162.6° | 95.0° |
| C24 | C22 | C21 | H10 | 76.2° | 25.0° |
| C24 | C22 | C21 | H11 | 41.4° | 145.0° |
| C24 | C22 | C23 | H42 | 180.0° | 175.5° |
| C24 | C22 | C23 | H43 | 60.0° | 55.5° |
| C24 | C22 | C23 | H44 | 60.0° | 64.5° |
| C22 | C24 | C25 | H45 | 28.4° | 116.8° |
| C22 | C24 | C25 | H46 | 145.1° | 3.2° |
| C14 | C15 | C16 | H6 | 121.8° | 119.9° |
| C14 | C15 | C16 | H7 | 121.8° | 120.0° |
| C14 | C15 | C16 | C17 | 144.3° | 180.0° |
| C14 | C15 | H6 | H7 | 114.0° | 120.0° |
| C14 | C15 | C16 | H36 | 94.5° | 60.1° |
| C14 | C15 | C16 | H37 | 23.2° | 59.9° |
| C22 | C21 | C20 | H10 | 121.2° | 120.0° |
| C22 | C21 | C20 | H11 | 121.2° | 120.0° |
| C22 | C21 | C20 | C19 | 103.5° | 180.0° |
| C22 | C21 | C20 | H8 | 17.9° | 60.0° |
| C22 | C21 | C20 | H9 | 135.1° | 60.0° |
| C22 | C21 | H10 | H11 | 116.2° | 120.0° |
| C21 | C22 | C24 | H12 | 0.5° | 5.0° |
| C21 | C22 | C23 | H42 | 0.4° | 4.5° |
| C21 | C22 | C23 | H43 | 120.4° | 124.5° |
| C21 | C22 | C23 | H44 | 119.6° | 115.5° |
| C23 | C22 | C21 | C20 | 17.8° | 85.0° |
| C23 | C22 | C21 | H10 | 103.4° | 155.0° |
| C23 | C22 | C21 | H11 | 139.0° | 35.0° |
| C23 | C22 | C24 | H12 | 179.1° | 175.0° |
| C22 | C23 | H42 | H43 | 120.0° | 120.0° |
| C22 | C23 | H42 | H44 | 120.0° | 119.9° |
| C22 | C23 | H43 | H44 | 120.0° | 120.0° |
| C15 | C16 | C17 | H36 | 121.2° | 119.9° |
| C15 | C16 | C17 | H37 | 121.1° | 120.0° |
| C15 | C16 | C17 | C19 | 179.2° | 94.9° |
| C15 | C16 | C17 | C18 | 1.1° | 85.0° |
| C16 | C15 | H6 | H7 | 114.0° | 120.0° |
| C16 | C15 | C14 | H35 | 20.4° | 56.8° |
| C15 | C16 | H36 | H37 | 116.3° | 120.0° |
| C16 | C17 | C19 | C18 | 179.7° | 179.9° |
| C16 | C17 | C19 | C20 | 179.3° | 173.9° |
| C17 | C16 | C15 | H6 | 22.5° | 60.0° |
| C17 | C16 | C15 | H7 | 93.8° | 60.0° |
| C17 | C16 | H36 | H37 | 116.4° | 120.0° |
| C16 | C17 | C18 | H38 | 180.0° | 88.3° |
| C16 | C17 | C18 | H39 | 60.0° | 31.6° |
| C16 | C17 | C18 | H40 | 60.0° | 151.7° |
| C16 | C17 | C19 | H41 | 0.7° | 6.1° |
| C21 | C20 | C19 | C17 | 97.7° | 122.4° |
| C21 | C20 | C19 | H8 | 121.4° | 120.0° |
| C21 | C20 | C19 | H9 | 121.4° | 119.9° |
| C21 | C20 | H8 | H9 | 115.4° | 120.0° |
| C20 | C21 | H10 | H11 | 116.1° | 120.0° |
| C21 | C20 | C19 | H41 | 82.4° | 57.6° |
| C17 | C19 | C20 | H41 | 180.0° | 180.0° |
| C17 | C19 | C20 | H8 | 140.9° | 2.4° |
| C17 | C19 | C20 | H9 | 23.8° | 117.6° |
| C19 | C17 | C16 | H36 | 59.7° | 25.0° |
| C19 | C17 | C16 | H37 | 58.0° | 145.0° |
| C19 | C17 | C18 | H38 | 0.3° | 91.8° |
| C19 | C17 | C18 | H39 | 120.3° | 148.3° |
| C19 | C17 | C18 | H40 | 119.7° | 28.2° |
| C18 | C17 | C19 | C20 | 1.0° | 6.2° |
| C18 | C17 | C16 | H36 | 120.0° | 155.1° |
| C18 | C17 | C16 | H37 | 122.3° | 35.0° |
| C17 | C18 | H38 | H39 | 120.0° | 120.0° |
| C17 | C18 | H38 | H40 | 120.0° | 120.0° |
| C17 | C18 | H39 | H40 | 120.0° | 120.0° |
| C18 | C17 | C19 | H41 | 178.9° | 173.8° |
| C19 | C20 | H8 | H9 | 115.4° | 120.0° |
| C19 | C20 | C21 | H10 | 135.3° | 60.1° |
| C19 | C20 | C21 | H11 | 17.7° | 60.0° |
| H1 | C10 | C09 | H32 | 113.3° | 60.3° |
| H1 | C10 | C11 | H33 | 72.7° | 180.0° |
| H1 | C10 | C11 | H34 | 44.4° | 60.0° |
| H2 | C10 | C09 | H32 | 129.9° | 179.7° |
| H2 | C10 | C11 | H33 | 170.5° | 60.0° |
| H2 | C10 | C11 | H34 | 72.4° | 180.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | C14 | H35 | 142.3° | 63.2° |
| H6 | C15 | C16 | H36 | 143.7° | NaN° |
| H6 | C15 | C16 | H37 | 98.6° | 60.0° |
| H7 | C15 | C14 | H35 | 101.4° | 176.8° |
| H7 | C15 | C16 | H36 | 27.3° | 60.0° |
| H7 | C15 | C16 | H37 | 145.0° | 180.0° |
| H8 | C20 | C21 | H10 | 103.3° | 60.0° |
| H8 | C20 | C21 | H11 | 139.1° | 180.0° |
| H8 | C20 | C19 | H41 | 39.1° | 177.6° |
| H9 | C20 | C21 | H10 | 13.9° | 180.0° |
| H9 | C20 | C21 | H11 | 103.7° | 60.0° |
| H9 | C20 | C19 | H41 | 156.2° | 62.4° |
| H12 | C24 | C25 | H45 | 151.7° | 63.3° |
| H12 | C24 | C25 | H46 | 34.9° | 176.7° |
| H13 | C26 | C25 | H45 | 101.7° | 179.9° |
| H13 | C26 | C25 | H46 | 15.1° | 60.0° |
| H14 | C26 | C25 | H45 | 141.4° | 59.9° |
| H14 | C26 | C25 | H46 | 101.8° | 180.0° |
| H15 | C28 | H16 | H17 | 120.0° | 120.0° |
| H18 | C01 | H19 | H20 | 119.9° | 120.0° |
| H21 | C03 | H22 | H23 | 120.0° | 120.1° |
| H24 | C04 | C05 | H25 | 103.5° | 63.2° |
| H24 | C04 | C05 | H26 | 138.9° | 176.8° |
| H25 | C05 | C06 | H27 | 41.6° | 180.0° |
| H25 | C05 | C06 | H28 | 75.8° | 60.0° |
| H26 | C05 | C06 | H27 | 75.9° | 60.0° |
| H26 | C05 | C06 | H28 | 166.7° | 180.0° |
| H29 | C08 | H30 | H31 | 120.0° | 120.1° |
| H38 | C18 | H39 | H40 | 120.0° | 120.1° |
| H42 | C23 | H43 | H44 | 120.0° | 120.0° |
| H47 | C29 | C30 | H48 | 153.3° | 63.4° |
| H47 | C29 | C30 | H49 | 36.5° | 176.7° |
| H48 | C30 | C31 | H50 | 84.5° | 180.0° |
| H48 | C30 | C31 | H51 | 33.0° | 60.0° |
| H49 | C30 | C31 | H50 | 158.7° | 60.0° |
| H49 | C30 | C31 | H51 | 83.9° | 180.0° |
| H52 | C33 | H53 | H54 | 120.0° | 119.9° |
| H55 | C34 | C35 | H56 | 20.0° | 60.8° |
| H55 | C34 | C35 | H57 | 96.5° | 179.1° |
| H56 | C35 | C36 | H58 | 158.6° | 180.0° |
| H56 | C35 | C36 | H59 | 83.8° | 60.0° |
| H57 | C35 | C36 | H58 | 42.0° | 60.0° |
| H57 | C35 | C36 | H59 | 159.7° | 180.0° |
| H60 | C38 | H61 | H62 | 120.0° | 120.0° |
| H63 | C39 | C40 | H64 | 99.8° | 61.0° |
| H63 | C39 | C40 | H65 | 17.9° | 179.1° |
| H64 | C40 | C41 | H66 | 150.6° | 180.0° |
| H64 | C40 | C41 | H67 | 33.9° | 60.0° |
| H65 | C40 | C41 | H66 | 91.7° | 60.0° |
| H65 | C40 | C41 | H67 | 151.6° | 180.0° |
| H68 | C43 | H69 | H70 | 119.9° | 120.1° |
| H71 | C44 | C45 | H72 | 151.7° | 180.0° |
| H72 | C45 | C46 | H73 | 168.6° | 174.8° |
| H74 | C48 | H75 | H76 | 119.9° | 120.0° |
| H77 | C49 | C50 | H78 | 145.3° | 63.3° |
| H77 | C49 | C50 | H79 | 96.4° | 176.7° |
| H78 | C50 | C51 | H80 | 158.2° | NaN° |
| H78 | C50 | C51 | H81 | 83.6° | 60.0° |
| H79 | C50 | C51 | H80 | 39.8° | 60.0° |
| H79 | C50 | C51 | H81 | 158.0° | 180.0° |
| H80 | C51 | C52 | H82 | 51.9° | 175.0° |
| H81 | C51 | C52 | H82 | 170.1° | 65.0° |
| H82 | C52 | C53 | H83 | 61.5° | 60.0° |
| H82 | C52 | C53 | H84 | 178.5° | 180.0° |
| H82 | C52 | C53 | H85 | 58.5° | 60.0° |
| H82 | C52 | C54 | H86 | 76.3° | 175.0° |
| H82 | C52 | C54 | H87 | 165.6° | 65.1° |
| H83 | C53 | H84 | H85 | 120.0° | 119.9° |
| H86 | C54 | C55 | H88 | 75.6° | 180.0° |
| H86 | C54 | C55 | H89 | 164.6° | 60.0° |
| H87 | C54 | C55 | H88 | 166.3° | 60.0° |
| H87 | C54 | C55 | H89 | 46.5° | 180.0° |
