8IO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C06 | C07 | sing | 1.53Å | 1.58Å | |
| C07 | C08 | sing | 1.53Å | 1.58Å | |
| C08 | C09 | sing | 1.53Å | 1.58Å | |
| C09 | C10 | sing | 1.53Å | 1.59Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| C15 | C16 | sing | 1.53Å | 1.58Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| C48 | C47 | sing | 1.53Å | 1.56Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C50 | C51 | doub | 1.31Å | 1.35Å | |
| C50 | C49 | sing | 1.51Å | 1.50Å | |
| C18 | O20 | sing | 1.34Å | 1.38Å | |
| C18 | O19 | doub | 1.21Å | 1.21Å | |
| C51 | C52 | sing | 1.51Å | 1.49Å | |
| C47 | C46 | sing | 1.53Å | 1.56Å | |
| C46 | C45 | sing | 1.53Å | 1.56Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C55 | sing | 1.53Å | 1.55Å | |
| O20 | C21 | sing | 1.45Å | 1.45Å | |
| C54 | C55 | sing | 1.53Å | 1.56Å | |
| C54 | C53 | sing | 1.53Å | 1.56Å | |
| C52 | C53 | sing | 1.53Å | 1.56Å | |
| C45 | C44 | sing | 1.53Å | 1.58Å | |
| C22 | C21 | sing | 1.53Å | 1.61Å | |
| C22 | C23 | sing | 1.53Å | 1.60Å | |
| C22 | O40 | sing | 1.45Å | 1.47Å | |
| C44 | C43 | sing | 1.53Å | 1.58Å | |
| C23 | O24 | sing | 1.43Å | 1.37Å | |
| C43 | C41 | sing | 1.51Å | 1.57Å | |
| O40 | C41 | sing | 1.34Å | 1.41Å | |
| O24 | P25 | sing | 1.61Å | 1.75Å | |
| C41 | O42 | doub | 1.21Å | 1.20Å | |
| O26 | P25 | doub | 1.48Å | 1.45Å | |
| P25 | O27 | sing | 1.61Å | 1.52Å | |
| P25 | O28 | sing | 1.61Å | 1.73Å | |
| O35 | C34 | sing | 1.43Å | 1.40Å | |
| O28 | C29 | sing | 1.43Å | 1.36Å | |
| C29 | C34 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| O37 | C32 | sing | 1.43Å | 1.40Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C33 | O36 | sing | 1.43Å | 1.40Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| C30 | O39 | sing | 1.43Å | 1.39Å | |
| C31 | O38 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| C48 | H50 | sing | 1.09Å | 1.10Å | |
| C49 | H51 | sing | 1.09Å | 1.10Å | |
| C49 | H52 | sing | 1.09Å | 1.10Å | |
| C50 | H53 | sing | 1.08Å | 1.08Å | |
| C51 | H54 | sing | 1.08Å | 1.08Å | |
| C52 | H55 | sing | 1.09Å | 1.10Å | |
| C52 | H56 | sing | 1.09Å | 1.10Å | |
| C53 | H57 | sing | 1.09Å | 1.10Å | |
| C53 | H58 | sing | 1.09Å | 1.10Å | |
| C54 | H59 | sing | 1.09Å | 1.10Å | |
| C55 | H60 | sing | 1.09Å | 1.10Å | |
| C56 | H61 | sing | 1.09Å | 1.10Å | |
| C56 | H62 | sing | 1.09Å | 1.10Å | |
| C57 | H63 | sing | 1.09Å | 1.10Å | |
| C57 | H64 | sing | 1.09Å | 1.10Å | |
| C57 | H65 | sing | 1.09Å | 1.10Å | |
| O27 | H66 | sing | 0.97Å | 0.95Å | |
| O35 | H67 | sing | 0.97Å | 0.95Å | |
| O36 | H68 | sing | 0.97Å | 0.95Å | |
| O37 | H69 | sing | 0.97Å | 0.95Å | |
| O38 | H70 | sing | 0.97Å | 0.95Å | |
| O39 | H71 | sing | 0.97Å | 0.95Å | |
| C08 | H72 | sing | 1.09Å | 1.10Å | |
| C09 | H73 | sing | 1.09Å | 1.10Å | |
| C10 | H74 | sing | 1.09Å | 1.10Å | |
| C11 | H75 | sing | 1.09Å | 1.10Å | |
| C13 | H76 | sing | 1.09Å | 1.10Å | |
| C14 | H77 | sing | 1.09Å | 1.10Å | |
| C16 | H78 | sing | 1.09Å | 1.10Å | |
| C17 | H79 | sing | 1.09Å | 1.10Å | |
| C54 | H80 | sing | 1.09Å | 1.10Å | |
| C55 | H81 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 114.9° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 108.1° | 109.5° |
| C01 | C02 | H5 | 108.1° | 109.5° |
| C02 | C03 | C04 | 116.2° | 109.5° |
| C03 | C02 | H4 | 108.1° | 109.4° |
| C03 | C02 | H5 | 108.1° | 109.4° |
| C02 | C03 | H6 | 107.7° | 109.5° |
| C02 | C03 | H7 | 107.8° | 109.5° |
| C03 | C04 | C05 | 117.6° | 109.5° |
| C04 | C03 | H6 | 107.8° | 109.5° |
| C04 | C03 | H7 | 107.8° | 109.5° |
| C03 | C04 | H8 | 107.4° | 109.4° |
| C03 | C04 | H9 | 107.4° | 109.5° |
| C04 | C05 | C06 | 117.8° | 109.5° |
| C05 | C04 | H8 | 107.4° | 109.5° |
| C05 | C04 | H9 | 107.4° | 109.5° |
| C04 | C05 | H10 | 107.3° | 109.5° |
| C04 | C05 | H11 | 107.3° | 109.5° |
| C05 | C06 | C07 | 118.5° | 109.5° |
| C06 | C05 | H10 | 107.4° | 109.5° |
| C06 | C05 | H11 | 107.4° | 109.5° |
| C05 | C06 | H12 | 107.2° | 109.4° |
| C05 | C06 | H13 | 107.2° | 109.5° |
| C06 | C07 | C08 | 117.5° | 109.5° |
| C07 | C06 | H12 | 107.2° | 109.5° |
| C07 | C06 | H13 | 107.2° | 109.5° |
| C06 | C07 | H14 | 107.4° | 109.4° |
| C06 | C07 | H15 | 107.4° | 109.4° |
| C07 | C08 | C09 | 117.6° | 109.5° |
| C08 | C07 | H14 | 107.4° | 109.5° |
| C08 | C07 | H15 | 107.4° | 109.5° |
| C07 | C08 | H16 | 107.4° | 109.5° |
| C07 | C08 | H72 | 107.4° | 109.5° |
| C08 | C09 | C10 | 119.2° | 109.5° |
| C09 | C08 | H16 | 107.4° | 109.5° |
| C08 | C09 | H17 | 107.0° | 109.4° |
| C09 | C08 | H72 | 107.4° | 109.5° |
| C08 | C09 | H73 | 107.0° | 109.5° |
| C09 | C10 | C11 | 118.3° | 109.5° |
| C10 | C09 | H17 | 107.0° | 109.5° |
| C09 | C10 | H18 | 107.2° | 109.5° |
| C10 | C09 | H73 | 107.0° | 109.5° |
| C09 | C10 | H74 | 107.2° | 109.5° |
| C10 | C11 | C12 | 118.7° | 109.4° |
| C11 | C10 | H18 | 107.3° | 109.5° |
| C10 | C11 | H19 | 107.1° | 109.5° |
| C11 | C10 | H74 | 107.3° | 109.5° |
| C10 | C11 | H75 | 107.1° | 109.5° |
| C11 | C12 | C13 | 119.5° | 109.4° |
| C12 | C11 | H19 | 107.1° | 109.4° |
| C11 | C12 | H20 | 106.9° | 109.5° |
| C11 | C12 | H21 | 106.9° | 109.5° |
| C12 | C11 | H75 | 107.1° | 109.5° |
| C12 | C13 | C14 | 119.5° | 109.5° |
| C13 | C12 | H20 | 106.9° | 109.4° |
| C13 | C12 | H21 | 106.9° | 109.5° |
| C12 | C13 | H22 | 106.9° | 109.5° |
| C12 | C13 | H76 | 106.9° | 109.5° |
| C13 | C14 | C15 | 117.9° | 109.5° |
| C14 | C13 | H22 | 106.9° | 109.4° |
| C13 | C14 | H23 | 107.3° | 109.4° |
| C14 | C13 | H76 | 106.9° | 109.5° |
| C13 | C14 | H77 | 107.3° | 109.5° |
| C14 | C15 | C16 | 118.1° | 109.5° |
| C15 | C14 | H23 | 107.3° | 109.5° |
| C14 | C15 | H24 | 107.3° | 109.5° |
| C14 | C15 | H25 | 107.3° | 109.5° |
| C15 | C14 | H77 | 107.3° | 109.5° |
| C15 | C16 | C17 | 117.7° | 109.5° |
| C16 | C15 | H24 | 107.3° | 109.5° |
| C16 | C15 | H25 | 107.3° | 109.5° |
| C15 | C16 | H26 | 107.3° | 109.4° |
| C15 | C16 | H78 | 107.4° | 109.5° |
| C16 | C17 | C18 | 116.9° | 109.5° |
| C17 | C16 | H26 | 107.4° | 109.5° |
| C16 | C17 | H27 | 107.6° | 109.5° |
| C17 | C16 | H78 | 107.4° | 109.5° |
| C16 | C17 | H79 | 107.6° | 109.5° |
| C17 | C18 | O20 | 119.5° | 120.0° |
| C17 | C18 | O19 | 121.4° | 120.0° |
| C18 | C17 | H27 | 107.6° | 109.4° |
| C18 | C17 | H79 | 107.6° | 109.5° |
| C47 | C48 | C49 | 116.8° | 109.5° |
| C48 | C47 | C46 | 117.8° | 109.5° |
| C48 | C47 | H47 | 107.3° | 109.5° |
| C48 | C47 | H48 | 107.4° | 109.4° |
| C47 | C48 | H49 | 107.6° | 109.5° |
| C47 | C48 | H50 | 107.6° | 109.5° |
| C48 | C49 | C50 | 114.8° | 109.5° |
| C49 | C48 | H49 | 107.6° | 109.4° |
| C49 | C48 | H50 | 107.6° | 109.5° |
| C48 | C49 | H51 | 108.1° | 109.5° |
| C48 | C49 | H52 | 108.2° | 109.4° |
| C51 | C50 | C49 | 117.2° | 120.0° |
| C50 | C51 | C52 | 126.9° | 120.0° |
| C51 | C50 | H53 | 121.4° | 120.0° |
| C50 | C51 | H54 | 116.5° | 120.0° |
| C50 | C49 | H51 | 108.1° | 109.5° |
| C50 | C49 | H52 | 108.1° | 109.4° |
| C49 | C50 | H53 | 121.4° | 120.0° |
| O20 | C18 | O19 | 119.1° | 120.0° |
| C18 | O20 | C21 | 120.2° | 117.0° |
| C51 | C52 | C53 | 117.1° | 109.5° |
| C52 | C51 | H54 | 116.6° | 120.0° |
| C51 | C52 | H55 | 107.6° | 109.5° |
| C51 | C52 | H56 | 107.5° | 109.4° |
| C47 | C46 | C45 | 119.5° | 109.5° |
| C47 | C46 | H45 | 106.9° | 109.4° |
| C47 | C46 | H46 | 106.9° | 109.5° |
| C46 | C47 | H47 | 107.4° | 109.5° |
| C46 | C47 | H48 | 107.3° | 109.5° |
| C46 | C45 | C44 | 117.4° | 109.5° |
| C46 | C45 | H43 | 107.5° | 109.4° |
| C46 | C45 | H44 | 107.4° | 109.5° |
| C45 | C46 | H45 | 106.9° | 109.5° |
| C45 | C46 | H46 | 106.9° | 109.5° |
| C57 | C56 | C55 | 115.0° | 109.5° |
| C57 | C56 | H61 | 108.1° | 109.5° |
| C57 | C56 | H62 | 108.1° | 109.5° |
| C56 | C57 | H63 | 109.5° | 109.5° |
| C56 | C57 | H64 | 109.5° | 109.5° |
| C56 | C57 | H65 | 109.5° | 109.5° |
| C56 | C55 | C54 | 116.2° | 109.5° |
| C56 | C55 | H60 | 107.8° | 109.5° |
| C55 | C56 | H61 | 108.1° | 109.4° |
| C55 | C56 | H62 | 108.1° | 109.5° |
| C56 | C55 | H81 | 107.8° | 109.5° |
| O20 | C21 | C22 | 112.5° | 109.5° |
| O20 | C21 | H28 | 108.7° | 109.5° |
| O20 | C21 | H29 | 108.7° | 109.5° |
| C55 | C54 | C53 | 116.6° | 109.5° |
| C55 | C54 | H59 | 107.7° | 109.5° |
| C54 | C55 | H60 | 107.7° | 109.5° |
| C55 | C54 | H80 | 107.7° | 109.5° |
| C54 | C55 | H81 | 107.7° | 109.5° |
| C54 | C53 | C52 | 114.6° | 109.4° |
| C54 | C53 | H57 | 108.2° | 109.5° |
| C54 | C53 | H58 | 108.2° | 109.5° |
| C53 | C54 | H59 | 107.7° | 109.5° |
| C53 | C54 | H80 | 107.7° | 109.5° |
| C53 | C52 | H55 | 107.5° | 109.5° |
| C53 | C52 | H56 | 107.5° | 109.4° |
| C52 | C53 | H57 | 108.2° | 109.5° |
| C52 | C53 | H58 | 108.2° | 109.4° |
| C45 | C44 | C43 | 119.7° | 109.5° |
| C45 | C44 | H41 | 106.9° | 109.4° |
| C45 | C44 | H42 | 106.8° | 109.5° |
| C44 | C45 | H43 | 107.5° | 109.5° |
| C44 | C45 | H44 | 107.5° | 109.5° |
| C21 | C22 | C23 | 108.6° | 109.5° |
| C21 | C22 | O40 | 107.5° | 109.5° |
| C22 | C21 | H28 | 108.7° | 109.5° |
| C22 | C21 | H29 | 108.7° | 109.5° |
| C21 | C22 | H30 | 108.5° | 109.5° |
| C23 | C22 | O40 | 113.3° | 109.4° |
| C22 | C23 | O24 | 113.7° | 109.4° |
| C23 | C22 | H30 | 108.6° | 109.4° |
| C22 | C23 | H31 | 108.4° | 109.5° |
| C22 | C23 | H32 | 108.4° | 109.5° |
| C22 | O40 | C41 | 120.2° | 117.0° |
| O40 | C22 | H30 | 110.3° | 109.5° |
| C44 | C43 | C41 | 115.4° | 109.5° |
| C44 | C43 | H39 | 108.0° | 109.5° |
| C44 | C43 | H40 | 108.0° | 109.4° |
| C43 | C44 | H41 | 106.9° | 109.5° |
| C43 | C44 | H42 | 106.9° | 109.5° |
| C23 | O24 | P25 | 127.0° | 123.0° |
| O24 | C23 | H31 | 108.4° | 109.4° |
| O24 | C23 | H32 | 108.4° | 109.4° |
| C43 | C41 | O40 | 121.3° | 120.0° |
| C43 | C41 | O42 | 119.6° | 120.0° |
| C41 | C43 | H39 | 108.0° | 109.5° |
| C41 | C43 | H40 | 108.0° | 109.5° |
| O40 | C41 | O42 | 119.1° | 120.0° |
| O24 | P25 | O26 | 106.8° | 109.5° |
| O24 | P25 | O27 | 103.3° | 109.4° |
| O24 | P25 | O28 | 107.1° | 109.5° |
| O26 | P25 | O27 | 122.3° | 109.4° |
| O26 | P25 | O28 | 112.8° | 109.5° |
| O27 | P25 | O28 | 103.3° | 109.5° |
| P25 | O27 | H66 | 109.5° | 114.0° |
| P25 | O28 | C29 | 123.5° | 123.0° |
| O35 | C34 | C29 | 102.9° | 109.5° |
| O35 | C34 | C33 | 105.3° | 109.5° |
| O35 | C34 | H38 | 112.1° | 109.5° |
| C34 | O35 | H67 | 109.5° | 114.0° |
| O28 | C29 | C34 | 110.8° | 109.5° |
| O28 | C29 | C30 | 111.9° | 109.5° |
| O28 | C29 | H33 | 108.8° | 109.5° |
| C34 | C29 | C30 | 112.3° | 109.5° |
| C29 | C34 | C33 | 117.0° | 109.5° |
| C34 | C29 | H33 | 106.4° | 109.5° |
| C29 | C34 | H38 | 109.7° | 109.5° |
| C29 | C30 | C31 | 113.9° | 109.4° |
| C29 | C30 | O39 | 108.0° | 109.5° |
| C30 | C29 | H33 | 106.3° | 109.5° |
| C29 | C30 | H34 | 108.8° | 109.5° |
| O37 | C32 | C33 | 109.8° | 109.5° |
| O37 | C32 | C31 | 110.6° | 109.5° |
| O37 | C32 | H36 | 110.5° | 109.5° |
| C32 | O37 | H69 | 109.5° | 113.9° |
| C34 | C33 | C32 | 113.6° | 109.4° |
| C34 | C33 | O36 | 109.1° | 109.5° |
| C34 | C33 | H37 | 107.9° | 109.5° |
| C33 | C34 | H38 | 109.6° | 109.4° |
| C32 | C33 | O36 | 108.2° | 109.5° |
| C33 | C32 | C31 | 109.3° | 109.5° |
| C33 | C32 | H36 | 108.3° | 109.5° |
| C32 | C33 | H37 | 107.9° | 109.5° |
| O36 | C33 | H37 | 110.1° | 109.5° |
| C33 | O36 | H68 | 109.5° | 114.0° |
| C32 | C31 | C30 | 114.0° | 109.5° |
| C32 | C31 | O38 | 107.7° | 109.5° |
| C32 | C31 | H35 | 107.9° | 109.5° |
| C31 | C32 | H36 | 108.3° | 109.5° |
| C31 | C30 | O39 | 106.1° | 109.4° |
| C30 | C31 | O38 | 109.7° | 109.4° |
| C31 | C30 | H34 | 108.7° | 109.5° |
| C30 | C31 | H35 | 107.6° | 109.5° |
| O39 | C30 | H34 | 111.3° | 109.5° |
| C30 | O39 | H71 | 109.5° | 114.0° |
| O38 | C31 | H35 | 109.9° | 109.5° |
| C31 | O38 | H70 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C08 | H72 | 109.5° | 109.5° |
| H17 | C09 | H73 | 109.5° | 109.5° |
| H18 | C10 | H74 | 109.4° | 109.5° |
| H19 | C11 | H75 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C13 | H76 | 109.5° | 109.5° |
| H23 | C14 | H77 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C16 | H78 | 109.5° | 109.5° |
| H27 | C17 | H79 | 109.4° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.4° | 109.5° |
| H39 | C43 | H40 | 109.5° | 109.5° |
| H41 | C44 | H42 | 109.5° | 109.4° |
| H43 | C45 | H44 | 109.5° | 109.5° |
| H45 | C46 | H46 | 109.5° | 109.4° |
| H47 | C47 | H48 | 109.5° | 109.5° |
| H49 | C48 | H50 | 109.5° | 109.4° |
| H51 | C49 | H52 | 109.4° | 109.5° |
| H55 | C52 | H56 | 109.5° | 109.5° |
| H57 | C53 | H58 | 109.4° | 109.5° |
| H59 | C54 | H80 | 109.5° | 109.4° |
| H60 | C55 | H81 | 109.5° | 109.4° |
| H61 | C56 | H62 | 109.4° | 109.5° |
| H63 | C57 | H64 | 109.5° | 109.5° |
| H63 | C57 | H65 | 109.5° | 109.4° |
| H64 | C57 | H65 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.8° | 120.0° |
| C01 | C02 | C03 | H5 | 120.8° | 120.0° |
| C01 | C02 | C03 | C04 | 122.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.5° | 120.1° |
| C01 | C02 | C03 | H6 | 1.6° | 60.0° |
| C01 | C02 | C03 | H7 | 116.4° | 60.0° |
| C02 | C03 | C04 | H6 | 121.0° | 120.0° |
| C02 | C03 | C04 | H7 | 121.0° | 120.0° |
| C02 | C03 | C04 | C05 | 157.2° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 117.5° | 119.9° |
| C02 | C03 | H6 | H7 | 116.9° | 120.0° |
| C02 | C03 | C04 | H8 | 36.1° | 60.0° |
| C02 | C03 | C04 | H9 | 81.6° | 60.0° |
| C03 | C04 | C05 | H8 | 121.2° | 119.9° |
| C03 | C04 | C05 | H9 | 121.2° | 120.0° |
| C03 | C04 | C05 | C06 | 117.0° | 180.0° |
| C04 | C03 | C02 | H4 | 116.6° | 60.0° |
| C04 | C03 | C02 | H5 | 1.8° | 60.0° |
| C04 | C03 | H6 | H7 | 116.9° | 120.0° |
| C03 | C04 | H8 | H9 | 116.3° | 120.0° |
| C03 | C04 | C05 | H10 | 4.3° | 60.0° |
| C03 | C04 | C05 | H11 | 121.9° | 60.0° |
| C04 | C05 | C06 | H10 | 121.2° | 120.0° |
| C04 | C05 | C06 | H11 | 121.2° | 120.0° |
| C04 | C05 | C06 | C07 | 133.1° | 180.0° |
| C05 | C04 | C03 | H6 | 81.8° | 60.0° |
| C05 | C04 | C03 | H7 | 36.3° | 60.0° |
| C05 | C04 | H8 | H9 | 116.3° | 120.0° |
| C04 | C05 | H10 | H11 | 116.2° | 120.0° |
| C04 | C05 | C06 | H12 | 11.8° | 60.0° |
| C04 | C05 | C06 | H13 | 105.6° | 60.0° |
| C05 | C06 | C07 | H12 | 121.3° | 119.9° |
| C05 | C06 | C07 | H13 | 121.3° | 120.0° |
| C05 | C06 | C07 | C08 | 135.7° | NaN° |
| C06 | C05 | C04 | H8 | 121.9° | 60.1° |
| C06 | C05 | C04 | H9 | 4.2° | 60.0° |
| C06 | C05 | H10 | H11 | 116.2° | 120.0° |
| C05 | C06 | H12 | H13 | 115.9° | 120.0° |
| C05 | C06 | C07 | H14 | 14.6° | 60.0° |
| C05 | C06 | C07 | H15 | 103.1° | 60.0° |
| C06 | C07 | C08 | H14 | 121.1° | 120.0° |
| C06 | C07 | C08 | H15 | 121.2° | 120.0° |
| C06 | C07 | C08 | C09 | 172.0° | 180.0° |
| C07 | C06 | C05 | H10 | 105.7° | 60.0° |
| C07 | C06 | C05 | H11 | 11.9° | 60.0° |
| C07 | C06 | H12 | H13 | 115.9° | 120.0° |
| C06 | C07 | H14 | H15 | 116.4° | 119.9° |
| C06 | C07 | C08 | H16 | 66.8° | 60.0° |
| C06 | C07 | C08 | H72 | 50.8° | 60.0° |
| C07 | C08 | C09 | H16 | 121.2° | 120.0° |
| C07 | C08 | C09 | H72 | 121.2° | 120.0° |
| C07 | C08 | C09 | C10 | 161.8° | NaN° |
| C08 | C07 | C06 | H12 | 103.0° | 60.1° |
| C08 | C07 | C06 | H13 | 14.4° | 60.0° |
| C08 | C07 | H14 | H15 | 116.4° | 120.1° |
| C07 | C08 | H16 | H72 | 116.3° | 120.0° |
| C07 | C08 | C09 | H17 | 40.4° | 60.0° |
| C07 | C08 | C09 | H73 | 76.9° | 60.0° |
| C08 | C09 | C10 | H17 | 121.4° | 119.9° |
| C08 | C09 | C10 | H73 | 121.4° | 120.0° |
| C08 | C09 | C10 | C11 | 33.2° | NaN° |
| C09 | C08 | C07 | H14 | 50.8° | 60.0° |
| C09 | C08 | C07 | H15 | 66.8° | 60.0° |
| C09 | C08 | H16 | H72 | 116.3° | 120.0° |
| C08 | C09 | H17 | H73 | 115.6° | 120.0° |
| C08 | C09 | C10 | H18 | 88.1° | 60.0° |
| C08 | C09 | C10 | H74 | 154.5° | 60.0° |
| C09 | C10 | C11 | H18 | 121.3° | 120.0° |
| C09 | C10 | C11 | H74 | 121.3° | 120.0° |
| C09 | C10 | C11 | C12 | 163.6° | 180.0° |
| C10 | C09 | C08 | H16 | 77.1° | 60.0° |
| C10 | C09 | H17 | H73 | 115.6° | 120.0° |
| C09 | C10 | H18 | H74 | 116.0° | 120.0° |
| C09 | C10 | C11 | H19 | 75.1° | 60.1° |
| C10 | C09 | C08 | H72 | 40.6° | 60.0° |
| C09 | C10 | C11 | H75 | 42.3° | 60.0° |
| C10 | C11 | C12 | H19 | 121.3° | 119.9° |
| C10 | C11 | C12 | H75 | 121.3° | 120.0° |
| C10 | C11 | C12 | C13 | 127.5° | 180.0° |
| C11 | C10 | C09 | H17 | 154.6° | 60.1° |
| C11 | C10 | H18 | H74 | 116.0° | 120.0° |
| C10 | C11 | H19 | H75 | 115.8° | 120.1° |
| C10 | C11 | C12 | H20 | 111.1° | 60.1° |
| C10 | C11 | C12 | H21 | 6.1° | 60.0° |
| C11 | C10 | C09 | H73 | 88.2° | 60.0° |
| C11 | C12 | C13 | H20 | 121.4° | 120.0° |
| C11 | C12 | C13 | H21 | 121.4° | 120.0° |
| C11 | C12 | C13 | C14 | 135.7° | 180.0° |
| C12 | C11 | C10 | H18 | 42.4° | 60.0° |
| C12 | C11 | H19 | H75 | 115.8° | 120.0° |
| C11 | C12 | H20 | H21 | 115.5° | 120.1° |
| C11 | C12 | C13 | H22 | 102.9° | 60.0° |
| C12 | C11 | C10 | H74 | 75.1° | 60.0° |
| C11 | C12 | C13 | H76 | 14.2° | 60.0° |
| C12 | C13 | C14 | H22 | 121.4° | 120.0° |
| C12 | C13 | C14 | H76 | 121.4° | 120.0° |
| C12 | C13 | C14 | C15 | 174.1° | 180.0° |
| C13 | C12 | C11 | H19 | 6.2° | 60.1° |
| C13 | C12 | H20 | H21 | 115.5° | 120.0° |
| C12 | C13 | H22 | H76 | 115.5° | 120.0° |
| C12 | C13 | C14 | H23 | 64.6° | 60.0° |
| C13 | C12 | C11 | H75 | 111.2° | 60.0° |
| C12 | C13 | C14 | H77 | 52.9° | 60.0° |
| C13 | C14 | C15 | H23 | 121.2° | 119.9° |
| C13 | C14 | C15 | H77 | 121.2° | 120.0° |
| C13 | C14 | C15 | C16 | 89.7° | 180.0° |
| C14 | C13 | C12 | H20 | 14.3° | 60.0° |
| C14 | C13 | C12 | H21 | 103.0° | 60.0° |
| C14 | C13 | H22 | H76 | 115.5° | 120.0° |
| C13 | C14 | H23 | H77 | 116.2° | 120.0° |
| C13 | C14 | C15 | H24 | 31.5° | 60.0° |
| C13 | C14 | C15 | H25 | 149.1° | 60.0° |
| C14 | C15 | C16 | H24 | 121.2° | 120.0° |
| C14 | C15 | C16 | H25 | 121.2° | 120.0° |
| C14 | C15 | C16 | C17 | 19.6° | NaN° |
| C15 | C14 | C13 | H22 | 52.7° | 60.0° |
| C15 | C14 | H23 | H77 | 116.2° | 120.1° |
| C14 | C15 | H24 | H25 | 116.1° | 120.0° |
| C14 | C15 | C16 | H26 | 140.8° | 60.0° |
| C15 | C14 | C13 | H76 | 64.5° | 60.0° |
| C14 | C15 | C16 | H78 | 101.6° | 60.0° |
| C15 | C16 | C17 | H26 | 121.2° | 119.9° |
| C15 | C16 | C17 | H78 | 121.2° | 120.0° |
| C15 | C16 | C17 | C18 | 164.9° | 180.0° |
| C16 | C15 | C14 | H23 | 149.1° | 60.1° |
| C16 | C15 | H24 | H25 | 116.1° | 120.0° |
| C15 | C16 | H26 | H78 | 116.2° | 120.0° |
| C15 | C16 | C17 | H27 | 43.8° | 60.0° |
| C16 | C15 | C14 | H77 | 31.5° | 60.0° |
| C15 | C16 | C17 | H79 | 74.0° | 60.0° |
| C16 | C17 | C18 | H27 | 121.1° | 120.0° |
| C16 | C17 | C18 | H79 | 121.1° | 120.0° |
| C16 | C17 | C18 | O20 | 47.7° | 180.0° |
| C16 | C17 | C18 | O19 | 132.6° | 0.0° |
| C17 | C16 | C15 | H24 | 101.6° | 60.0° |
| C17 | C16 | C15 | H25 | 140.8° | 60.0° |
| C17 | C16 | H26 | H78 | 116.3° | 120.0° |
| C16 | C17 | H27 | H79 | 116.6° | 120.0° |
| C17 | C18 | O20 | O19 | 179.7° | 180.0° |
| C17 | C18 | O20 | C21 | 146.8° | 180.0° |
| C18 | C17 | C16 | H26 | 73.9° | 60.1° |
| C18 | C17 | H27 | H79 | 116.6° | 120.0° |
| C18 | C17 | C16 | H78 | 43.7° | 60.0° |
| C47 | C48 | C49 | H49 | 121.0° | 120.0° |
| C47 | C48 | C49 | H50 | 121.1° | 120.0° |
| C47 | C48 | C49 | C50 | 157.0° | 180.0° |
| C48 | C47 | C46 | H47 | 121.2° | 120.0° |
| C48 | C47 | C46 | H48 | 121.2° | 120.0° |
| C48 | C47 | C46 | C45 | 123.1° | 180.0° |
| C48 | C47 | C46 | H45 | 1.6° | 60.0° |
| C48 | C47 | C46 | H46 | 115.5° | 60.0° |
| C48 | C47 | H47 | H48 | 116.2° | 120.0° |
| C47 | C48 | H49 | H50 | 116.7° | 120.0° |
| C47 | C48 | C49 | H51 | 82.2° | 60.0° |
| C47 | C48 | C49 | H52 | 36.2° | 60.0° |
| C48 | C49 | C50 | C51 | 117.3° | 127.6° |
| C48 | C49 | C50 | H51 | 120.8° | 120.0° |
| C48 | C49 | C50 | H52 | 120.8° | 119.9° |
| C49 | C48 | C47 | C46 | 114.7° | 180.0° |
| C49 | C48 | C47 | H47 | 124.1° | 60.0° |
| C49 | C48 | C47 | H48 | 6.4° | 60.0° |
| C49 | C48 | H49 | H50 | 116.6° | 119.9° |
| C48 | C49 | H51 | H52 | 117.6° | 120.0° |
| C48 | C49 | C50 | H53 | 62.7° | 52.4° |
| C51 | C50 | C49 | H53 | 180.0° | 180.0° |
| C50 | C51 | C52 | H54 | 180.0° | 180.0° |
| C50 | C51 | C52 | C53 | 149.9° | 126.3° |
| C51 | C50 | C49 | H51 | 3.5° | 7.6° |
| C51 | C50 | C49 | H52 | 121.9° | 112.4° |
| C50 | C51 | C52 | H55 | 89.0° | 113.6° |
| C50 | C51 | C52 | H56 | 28.8° | 6.4° |
| C49 | C50 | C51 | C52 | 0.2° | 7.5° |
| C50 | C49 | C48 | H49 | 35.9° | 60.0° |
| C50 | C49 | C48 | H50 | 82.0° | 60.0° |
| C50 | C49 | H51 | H52 | 117.6° | 120.0° |
| C49 | C50 | C51 | H54 | 179.8° | 172.5° |
| C18 | O20 | C21 | C22 | 138.0° | 180.0° |
| O20 | C18 | C17 | H27 | 73.3° | 60.0° |
| C18 | O20 | C21 | H28 | 17.6° | 60.0° |
| C18 | O20 | C21 | H29 | 101.5° | 60.0° |
| O20 | C18 | C17 | H79 | 168.8° | 60.0° |
| O19 | C18 | O20 | C21 | 32.9° | 0.0° |
| O19 | C18 | C17 | H27 | 106.4° | 120.0° |
| O19 | C18 | C17 | H79 | 11.5° | 120.0° |
| C51 | C52 | C53 | C54 | 44.4° | 180.0° |
| C51 | C52 | C53 | H55 | 121.1° | 120.0° |
| C51 | C52 | C53 | H56 | 121.1° | 119.9° |
| C52 | C51 | C50 | H53 | 179.8° | 172.5° |
| C51 | C52 | H55 | H56 | 116.6° | 120.0° |
| C51 | C52 | C53 | H57 | 76.4° | 60.0° |
| C51 | C52 | C53 | H58 | 165.2° | 60.1° |
| C47 | C46 | C45 | H45 | 121.4° | 120.0° |
| C47 | C46 | C45 | H46 | 121.4° | 120.0° |
| C47 | C46 | C45 | C44 | 109.8° | 180.0° |
| C47 | C46 | C45 | H43 | 11.3° | 60.0° |
| C47 | C46 | C45 | H44 | 129.1° | 60.0° |
| C47 | C46 | H45 | H46 | 115.4° | 119.9° |
| C46 | C47 | H47 | H48 | 116.2° | 120.0° |
| C46 | C47 | C48 | H49 | 124.2° | 60.0° |
| C46 | C47 | C48 | H50 | 6.3° | 60.0° |
| C46 | C45 | C44 | H43 | 121.1° | 120.0° |
| C46 | C45 | C44 | H44 | 121.1° | 120.0° |
| C46 | C45 | C44 | C43 | 123.0° | 180.0° |
| C46 | C45 | C44 | H41 | 1.6° | 60.0° |
| C46 | C45 | C44 | H42 | 115.6° | 59.9° |
| C46 | C45 | H43 | H44 | 116.4° | 120.0° |
| C45 | C46 | H45 | H46 | 115.5° | 120.1° |
| C45 | C46 | C47 | H47 | 115.7° | 60.0° |
| C45 | C46 | C47 | H48 | 1.9° | 60.0° |
| C57 | C56 | C55 | H61 | 120.8° | 120.0° |
| C57 | C56 | C55 | H62 | 120.8° | 120.0° |
| C57 | C56 | C55 | C54 | 154.3° | 180.0° |
| C57 | C56 | C55 | H60 | 33.4° | 60.0° |
| C57 | C56 | H61 | H62 | 117.5° | 120.0° |
| C56 | C57 | H63 | H64 | 120.0° | 120.0° |
| C56 | C57 | H63 | H65 | 120.0° | 120.0° |
| C56 | C57 | H64 | H65 | 120.0° | 120.0° |
| C57 | C56 | C55 | H81 | 84.7° | 60.0° |
| C56 | C55 | C54 | H60 | 121.0° | 120.0° |
| C56 | C55 | C54 | H81 | 121.0° | 120.0° |
| C56 | C55 | C54 | C53 | 166.1° | 180.0° |
| C56 | C55 | C54 | H59 | 45.1° | 59.9° |
| C56 | C55 | H60 | H81 | 116.9° | 120.0° |
| C55 | C56 | H61 | H62 | 117.5° | 120.0° |
| C55 | C56 | C57 | H63 | 180.0° | 180.0° |
| C55 | C56 | C57 | H64 | 60.0° | 60.0° |
| C55 | C56 | C57 | H65 | 60.0° | 60.0° |
| C56 | C55 | C54 | H80 | 72.9° | 60.0° |
| O20 | C21 | C22 | H28 | 120.5° | 120.0° |
| O20 | C21 | C22 | H29 | 120.5° | 120.0° |
| O20 | C21 | C22 | C23 | 74.5° | 55.0° |
| O20 | C21 | C22 | O40 | 162.6° | 65.0° |
| O20 | C21 | H28 | H29 | 118.7° | 120.0° |
| O20 | C21 | C22 | H30 | 43.3° | 175.0° |
| C55 | C54 | C53 | H59 | 121.0° | 120.0° |
| C55 | C54 | C53 | H80 | 121.0° | 120.0° |
| C55 | C54 | C53 | C52 | 155.0° | 180.0° |
| C55 | C54 | C53 | H57 | 34.2° | 60.0° |
| C55 | C54 | C53 | H58 | 84.3° | 60.1° |
| C55 | C54 | H59 | H80 | 116.8° | 120.0° |
| C54 | C55 | H60 | H81 | 116.9° | 120.0° |
| C54 | C55 | C56 | H61 | 84.8° | 60.0° |
| C54 | C55 | C56 | H62 | 33.5° | 60.0° |
| C54 | C53 | C52 | H57 | 120.8° | 120.0° |
| C54 | C53 | C52 | H58 | 120.8° | 119.9° |
| C54 | C53 | C52 | H55 | 76.7° | 60.0° |
| C54 | C53 | C52 | H56 | 165.5° | 60.0° |
| C54 | C53 | H57 | H58 | 117.6° | 120.0° |
| C53 | C54 | H59 | H80 | 116.8° | 120.0° |
| C53 | C54 | C55 | H60 | 72.9° | 60.0° |
| C53 | C54 | C55 | H81 | 45.1° | 60.0° |
| C53 | C52 | C51 | H54 | 30.1° | 53.7° |
| C53 | C52 | H55 | H56 | 116.5° | 120.0° |
| C52 | C53 | H57 | H58 | 117.7° | 120.0° |
| C52 | C53 | C54 | H59 | 84.0° | 60.0° |
| C52 | C53 | C54 | H80 | 33.9° | 60.0° |
| C45 | C44 | C43 | H41 | 121.4° | 120.0° |
| C45 | C44 | C43 | H42 | 121.4° | 120.0° |
| C45 | C44 | C43 | C41 | 150.6° | 180.0° |
| C45 | C44 | C43 | H39 | 29.7° | 60.0° |
| C45 | C44 | C43 | H40 | 88.6° | 60.0° |
| C45 | C44 | H41 | H42 | 115.4° | 119.9° |
| C44 | C45 | H43 | H44 | 116.4° | 120.0° |
| C44 | C45 | C46 | H45 | 128.8° | 60.1° |
| C44 | C45 | C46 | H46 | 11.6° | 60.0° |
| C21 | C22 | C23 | O40 | 119.3° | 120.0° |
| C21 | C22 | C23 | H30 | 117.8° | 120.0° |
| C21 | C22 | O40 | H30 | 118.2° | 120.0° |
| C21 | C22 | C23 | O24 | 42.4° | 55.0° |
| C21 | C22 | O40 | C41 | 35.6° | 150.0° |
| C22 | C21 | H28 | H29 | 118.6° | 120.0° |
| C21 | C22 | C23 | H31 | 78.2° | 65.0° |
| C21 | C22 | C23 | H32 | 163.0° | 175.0° |
| C23 | C22 | O40 | H30 | 121.9° | 119.9° |
| C22 | C23 | O24 | H31 | 120.7° | 120.0° |
| C22 | C23 | O24 | H32 | 120.6° | 120.0° |
| C23 | C22 | O40 | C41 | 155.5° | 89.9° |
| C22 | C23 | O24 | P25 | 147.8° | 180.0° |
| C23 | C22 | C21 | H28 | 165.0° | 175.0° |
| C23 | C22 | C21 | H29 | 45.9° | 65.0° |
| C22 | C23 | H31 | H32 | 118.1° | 120.1° |
| O40 | C22 | C23 | O24 | 76.9° | 65.0° |
| C22 | O40 | C41 | C43 | 85.0° | 180.0° |
| C22 | O40 | C41 | O42 | 95.6° | 0.0° |
| O40 | C22 | C21 | H28 | 42.2° | 55.0° |
| O40 | C22 | C21 | H29 | 76.9° | 175.0° |
| O40 | C22 | C23 | H31 | 162.4° | 175.0° |
| O40 | C22 | C23 | H32 | 43.7° | 54.9° |
| C44 | C43 | C41 | H39 | 120.8° | 120.0° |
| C44 | C43 | C41 | H40 | 120.8° | 120.0° |
| C44 | C43 | C41 | O40 | 35.7° | 180.0° |
| C44 | C43 | C41 | O42 | 143.7° | 0.0° |
| C44 | C43 | H39 | H40 | 117.3° | 120.0° |
| C43 | C44 | H41 | H42 | 115.4° | 120.0° |
| C43 | C44 | C45 | H43 | 115.9° | 60.0° |
| C43 | C44 | C45 | H44 | 1.9° | 60.0° |
| C23 | O24 | P25 | O26 | 11.2° | 55.0° |
| C23 | O24 | P25 | O27 | 141.4° | 65.0° |
| C23 | O24 | P25 | O28 | 109.9° | 175.0° |
| O24 | C23 | C22 | H30 | 160.2° | 175.0° |
| O24 | C23 | H31 | H32 | 118.1° | 119.9° |
| C43 | C41 | O40 | O42 | 179.4° | 180.0° |
| C41 | C43 | H39 | H40 | 117.3° | 120.0° |
| C41 | C43 | C44 | H41 | 88.0° | 60.0° |
| C41 | C43 | C44 | H42 | 29.2° | 60.0° |
| C41 | O40 | C22 | H30 | 82.6° | 30.0° |
| O40 | C41 | C43 | H39 | 156.5° | 60.0° |
| O40 | C41 | C43 | H40 | 85.2° | 60.0° |
| O24 | P25 | O26 | O27 | 118.4° | 119.9° |
| O24 | P25 | O26 | O28 | 117.4° | 120.0° |
| O24 | P25 | O27 | O28 | 111.5° | 120.0° |
| O24 | P25 | O28 | C29 | 0.9° | 175.0° |
| P25 | O24 | C23 | H31 | 91.5° | 60.0° |
| P25 | O24 | C23 | H32 | 27.2° | 60.0° |
| O24 | P25 | O27 | H66 | 120.1° | 60.1° |
| O42 | C41 | C43 | H39 | 22.9° | 120.0° |
| O42 | C41 | C43 | H40 | 95.4° | 120.0° |
| O26 | P25 | O27 | O28 | 128.4° | 120.0° |
| O26 | P25 | O28 | C29 | 118.2° | 55.0° |
| O26 | P25 | O27 | H66 | 0.0° | 180.0° |
| O27 | P25 | O28 | C29 | 107.8° | 65.0° |
| P25 | O28 | C29 | C34 | 99.8° | 120.0° |
| P25 | O28 | C29 | C30 | 134.0° | 120.0° |
| P25 | O28 | C29 | H33 | 16.8° | 0.0° |
| O28 | P25 | O27 | H66 | 128.4° | 59.9° |
| O35 | C34 | C29 | O28 | 69.8° | 60.0° |
| O35 | C34 | C29 | C33 | 114.9° | 120.0° |
| O35 | C34 | C29 | H38 | 119.4° | 120.0° |
| O35 | C34 | C29 | C30 | 164.3° | 180.0° |
| O35 | C34 | C33 | H38 | 120.8° | 120.0° |
| O35 | C34 | C33 | C32 | 127.6° | 180.0° |
| O35 | C34 | C33 | O36 | 111.7° | 60.0° |
| O35 | C34 | C29 | H33 | 48.3° | 60.0° |
| O35 | C34 | C33 | H37 | 7.9° | 60.0° |
| O28 | C29 | C34 | C30 | 126.0° | 120.0° |
| O28 | C29 | C34 | H33 | 118.1° | 120.0° |
| O28 | C29 | C30 | H33 | 118.7° | 120.0° |
| O28 | C29 | C34 | C33 | 175.4° | 180.0° |
| O28 | C29 | C30 | C31 | 152.6° | 180.0° |
| O28 | C29 | C30 | O39 | 35.0° | 60.0° |
| O28 | C29 | C30 | H34 | 85.9° | 60.0° |
| O28 | C29 | C34 | H38 | 49.7° | 60.0° |
| C34 | C29 | C30 | H33 | 116.0° | 120.0° |
| C29 | C34 | C33 | H38 | 125.7° | 120.0° |
| C29 | C34 | C33 | C32 | 14.1° | 60.0° |
| C29 | C34 | C33 | O36 | 134.9° | 180.0° |
| C34 | C29 | C30 | C31 | 27.3° | 60.0° |
| C34 | C29 | C30 | O39 | 90.3° | 60.0° |
| C34 | C29 | C30 | H34 | 148.8° | 180.0° |
| C29 | C34 | C33 | H37 | 105.6° | 60.0° |
| C29 | C34 | O35 | H67 | 180.0° | 180.0° |
| C30 | C29 | C34 | C33 | 49.4° | 60.0° |
| C29 | C30 | C31 | C32 | 26.8° | 60.0° |
| C29 | C30 | C31 | O39 | 118.7° | 120.0° |
| C29 | C30 | C31 | H34 | 121.5° | 120.0° |
| C29 | C30 | O39 | H34 | 119.4° | 120.0° |
| C29 | C30 | C31 | O38 | 147.6° | 60.0° |
| C29 | C30 | C31 | H35 | 92.8° | 180.0° |
| C30 | C29 | C34 | H38 | 76.3° | 60.0° |
| C29 | C30 | O39 | H71 | 180.0° | 180.0° |
| O37 | C32 | C33 | C34 | 81.6° | 180.0° |
| O37 | C32 | C33 | C31 | 121.5° | 120.0° |
| O37 | C32 | C33 | H36 | 120.7° | 120.0° |
| O37 | C32 | C33 | O36 | 157.1° | 60.0° |
| O37 | C32 | C31 | H36 | 121.2° | 120.0° |
| O37 | C32 | C31 | C30 | 58.9° | 180.0° |
| O37 | C32 | C31 | O38 | 63.0° | 60.0° |
| O37 | C32 | C31 | H35 | 178.4° | 60.0° |
| O37 | C32 | C33 | H37 | 38.0° | 60.0° |
| C34 | C33 | C32 | O36 | 121.3° | 120.0° |
| C34 | C33 | C32 | H37 | 119.6° | 120.0° |
| C34 | C33 | O36 | H37 | 118.2° | 120.0° |
| C34 | C33 | C32 | C31 | 39.9° | 60.0° |
| C33 | C34 | C29 | H33 | 66.5° | 60.0° |
| C34 | C33 | C32 | H36 | 157.7° | 60.0° |
| C33 | C34 | O35 | H67 | 56.9° | 60.0° |
| C34 | C33 | O36 | H68 | 180.0° | 180.0° |
| C32 | C33 | O36 | H37 | 117.7° | 120.0° |
| C33 | C32 | C31 | H36 | 117.8° | 120.0° |
| C33 | C32 | C31 | C30 | 62.0° | 60.0° |
| C33 | C32 | C31 | O38 | 176.0° | 60.0° |
| C33 | C32 | C31 | H35 | 57.4° | 180.0° |
| C32 | C33 | C34 | H38 | 111.7° | 60.0° |
| C32 | C33 | O36 | H68 | 55.9° | 60.1° |
| C33 | C32 | O37 | H69 | 28.7° | 60.0° |
| O36 | C33 | C32 | C31 | 81.4° | 180.0° |
| O36 | C33 | C32 | H36 | 36.4° | 60.0° |
| O36 | C33 | C34 | H38 | 9.1° | 60.0° |
| C32 | C31 | C30 | O38 | 120.8° | 120.0° |
| C32 | C31 | C30 | H35 | 119.6° | 120.0° |
| C32 | C31 | C30 | O39 | 145.5° | 60.0° |
| C32 | C31 | O38 | H35 | 117.3° | 120.0° |
| C32 | C31 | C30 | H34 | 94.7° | 180.0° |
| C31 | C32 | C33 | H37 | 159.5° | 60.0° |
| C31 | C32 | O37 | H69 | 149.4° | 180.0° |
| C32 | C31 | O38 | H70 | 180.0° | 60.0° |
| C31 | C30 | O39 | H34 | 118.1° | 120.0° |
| C30 | C31 | O38 | H35 | 118.2° | 120.0° |
| C31 | C30 | C29 | H33 | 88.7° | 60.0° |
| C30 | C31 | C32 | H36 | 179.8° | 60.0° |
| C30 | C31 | O38 | H70 | 55.4° | 180.0° |
| C31 | C30 | O39 | H71 | 57.5° | 60.0° |
| O39 | C30 | C31 | O38 | 93.7° | 180.0° |
| O39 | C30 | C29 | H33 | 153.7° | 180.0° |
| O39 | C30 | C31 | H35 | 25.9° | 60.0° |
| O38 | C31 | C30 | H34 | 26.1° | 60.0° |
| O38 | C31 | C32 | H36 | 58.2° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 59.2° | 180.0° |
| H1 | C01 | C02 | H5 | 59.2° | 59.9° |
| H2 | C01 | C02 | H4 | 60.8° | 60.1° |
| H2 | C01 | C02 | H5 | 179.2° | 60.0° |
| H3 | C01 | C02 | H4 | 179.2° | 59.9° |
| H3 | C01 | C02 | H5 | 60.8° | 180.0° |
| H4 | C02 | C03 | H6 | 122.4° | 179.9° |
| H4 | C02 | C03 | H7 | 4.4° | 60.0° |
| H5 | C02 | C03 | H6 | 119.2° | 60.1° |
| H5 | C02 | C03 | H7 | 122.8° | 180.0° |
| H6 | C03 | C04 | H8 | 157.1° | 179.9° |
| H6 | C03 | C04 | H9 | 39.4° | 60.0° |
| H7 | C03 | C04 | H8 | 84.9° | 60.0° |
| H7 | C03 | C04 | H9 | 157.4° | 180.0° |
| H8 | C04 | C05 | H10 | 116.9° | 180.0° |
| H8 | C04 | C05 | H11 | 0.7° | 59.9° |
| H9 | C04 | C05 | H10 | 125.4° | 60.0° |
| H9 | C04 | C05 | H11 | 117.0° | 180.0° |
| H10 | C05 | C06 | H12 | 133.0° | 180.0° |
| H10 | C05 | C06 | H13 | 15.6° | 60.0° |
| H11 | C05 | C06 | H12 | 109.4° | 60.0° |
| H11 | C05 | C06 | H13 | 133.2° | 180.0° |
| H12 | C06 | C07 | H14 | 135.9° | 179.9° |
| H12 | C06 | C07 | H15 | 18.2° | 60.0° |
| H13 | C06 | C07 | H14 | 106.7° | 60.0° |
| H13 | C06 | C07 | H15 | 135.6° | 180.0° |
| H14 | C07 | C08 | H16 | 172.0° | 180.0° |
| H14 | C07 | C08 | H72 | 70.3° | 60.0° |
| H15 | C07 | C08 | H16 | 54.3° | 60.0° |
| H15 | C07 | C08 | H72 | 172.0° | 179.9° |
| H16 | C08 | C09 | H17 | 161.6° | 180.0° |
| H16 | C08 | C09 | H73 | 44.3° | 60.0° |
| H17 | C09 | C10 | H18 | 33.3° | 179.9° |
| H17 | C09 | C08 | H72 | 80.7° | 60.0° |
| H17 | C09 | C10 | H74 | 84.1° | 60.0° |
| H18 | C10 | C11 | H19 | 163.6° | 180.0° |
| H18 | C10 | C09 | H73 | 150.5° | 60.0° |
| H18 | C10 | C11 | H75 | 79.0° | 60.0° |
| H19 | C11 | C12 | H20 | 127.6° | 180.0° |
| H19 | C11 | C12 | H21 | 115.2° | 60.0° |
| H19 | C11 | C10 | H74 | 46.2° | 60.0° |
| H20 | C12 | C13 | H22 | 135.7° | 180.0° |
| H20 | C12 | C11 | H75 | 10.2° | 59.9° |
| H20 | C12 | C13 | H76 | 107.1° | 60.0° |
| H21 | C12 | C13 | H22 | 18.5° | 60.0° |
| H21 | C12 | C11 | H75 | 127.4° | 180.0° |
| H21 | C12 | C13 | H76 | 135.6° | 180.0° |
| H22 | C13 | C14 | H23 | 173.9° | 180.0° |
| H22 | C13 | C14 | H77 | 68.5° | 60.0° |
| H23 | C14 | C15 | H24 | 89.7° | 180.0° |
| H23 | C14 | C15 | H25 | 27.9° | 59.9° |
| H23 | C14 | C13 | H76 | 56.7° | 60.0° |
| H24 | C15 | C16 | H26 | 19.5° | 180.0° |
| H24 | C15 | C14 | H77 | 152.7° | 60.0° |
| H24 | C15 | C16 | H78 | 137.2° | 60.0° |
| H25 | C15 | C16 | H26 | 98.0° | 60.0° |
| H25 | C15 | C14 | H77 | 89.7° | 180.0° |
| H25 | C15 | C16 | H78 | 19.6° | 180.0° |
| H26 | C16 | C17 | H27 | 165.0° | 180.0° |
| H26 | C16 | C17 | H79 | 47.2° | 60.0° |
| H27 | C17 | C16 | H78 | 77.4° | 60.0° |
| H28 | C21 | C22 | H30 | 77.2° | 65.0° |
| H29 | C21 | C22 | H30 | 163.7° | 54.9° |
| H30 | C22 | C23 | H31 | 39.5° | 55.0° |
| H30 | C22 | C23 | H32 | 79.2° | 65.0° |
| H33 | C29 | C30 | H34 | 32.8° | 60.0° |
| H33 | C29 | C34 | H38 | 167.8° | 179.9° |
| H34 | C30 | C31 | H35 | 145.7° | 60.0° |
| H34 | C30 | O39 | H71 | 60.6° | 60.0° |
| H35 | C31 | C32 | H36 | 60.4° | 60.0° |
| H35 | C31 | O38 | H70 | 62.7° | 60.0° |
| H36 | C32 | C33 | H37 | 82.7° | 180.0° |
| H36 | C32 | O37 | H69 | 90.6° | 60.0° |
| H37 | C33 | C34 | H38 | 128.7° | 180.0° |
| H37 | C33 | O36 | H68 | 61.8° | 59.9° |
| H38 | C34 | O35 | H67 | 62.2° | 60.0° |
| H39 | C43 | C44 | H41 | 151.2° | 180.0° |
| H39 | C43 | C44 | H42 | 91.7° | 60.0° |
| H40 | C43 | C44 | H41 | 32.9° | 60.0° |
| H40 | C43 | C44 | H42 | 150.0° | 180.0° |
| H41 | C44 | C45 | H43 | 122.7° | 180.0° |
| H41 | C44 | C45 | H44 | 119.6° | 60.0° |
| H42 | C44 | C45 | H43 | 5.6° | 60.0° |
| H42 | C44 | C45 | H44 | 123.3° | 180.0° |
| H43 | C45 | C46 | H45 | 110.1° | 180.0° |
| H43 | C45 | C46 | H46 | 132.8° | 60.0° |
| H44 | C45 | C46 | H45 | 7.7° | 60.0° |
| H44 | C45 | C46 | H46 | 109.5° | 180.0° |
| H45 | C46 | C47 | H47 | 122.8° | 180.0° |
| H45 | C46 | C47 | H48 | 119.6° | 60.0° |
| H46 | C46 | C47 | H47 | 5.7° | 60.0° |
| H46 | C46 | C47 | H48 | 123.3° | 180.0° |
| H47 | C47 | C48 | H49 | 3.0° | 180.0° |
| H47 | C47 | C48 | H50 | 114.9° | 60.0° |
| H48 | C47 | C48 | H49 | 114.6° | 60.0° |
| H48 | C47 | C48 | H50 | 127.5° | 180.0° |
| H49 | C48 | C49 | H51 | 156.7° | 180.0° |
| H49 | C48 | C49 | H52 | 84.8° | 60.0° |
| H50 | C48 | C49 | H51 | 38.8° | 60.0° |
| H50 | C48 | C49 | H52 | 157.3° | 179.9° |
| H51 | C49 | C50 | H53 | 176.5° | 172.4° |
| H52 | C49 | C50 | H53 | 58.1° | 67.6° |
| H53 | C50 | C51 | H54 | 0.2° | 7.5° |
| H54 | C51 | C52 | H55 | 91.0° | 66.4° |
| H54 | C51 | C52 | H56 | 151.2° | 173.6° |
| H55 | C52 | C53 | H57 | 162.5° | 180.0° |
| H55 | C52 | C53 | H58 | 44.1° | 60.0° |
| H56 | C52 | C53 | H57 | 44.7° | 60.0° |
| H56 | C52 | C53 | H58 | 73.7° | 180.0° |
| H57 | C53 | C54 | H59 | 155.2° | 179.9° |
| H57 | C53 | C54 | H80 | 86.9° | 60.0° |
| H58 | C53 | C54 | H59 | 36.7° | 60.0° |
| H58 | C53 | C54 | H80 | 154.7° | 179.9° |
| H59 | C54 | C55 | H60 | 166.1° | 180.0° |
| H59 | C54 | C55 | H81 | 75.9° | 60.1° |
| H60 | C55 | C56 | H61 | 154.2° | 179.9° |
| H60 | C55 | C56 | H62 | 87.5° | 60.0° |
| H60 | C55 | C54 | H80 | 48.1° | 60.0° |
| H61 | C56 | C57 | H63 | 59.1° | 60.0° |
| H61 | C56 | C57 | H64 | 60.8° | 179.9° |
| H61 | C56 | C57 | H65 | 179.2° | 60.0° |
| H61 | C56 | C55 | H81 | 36.1° | 60.0° |
| H62 | C56 | C57 | H63 | 59.2° | 60.0° |
| H62 | C56 | C57 | H64 | 179.2° | 60.0° |
| H62 | C56 | C57 | H65 | 60.8° | 180.0° |
| H62 | C56 | C55 | H81 | 154.5° | 180.0° |
| H63 | C57 | H64 | H65 | 120.0° | 119.9° |
| H72 | C08 | C09 | H73 | 162.0° | 180.0° |
| H73 | C09 | C10 | H74 | 33.1° | 180.0° |
| H74 | C10 | C11 | H75 | 163.6° | 180.0° |
| H76 | C13 | C14 | H77 | 174.3° | 180.0° |
| H78 | C16 | C17 | H79 | 164.8° | NaN° |
| H80 | C54 | C55 | H81 | 166.1° | 180.0° |
