B4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.50Å | 1.53Å | |
| O15 | S3 | doub | 1.42Å | 1.48Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| O14 | S3 | doub | 1.42Å | 1.48Å | |
| O12 | C27 | sing | 1.36Å | 1.36Å | |
| C27 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | S3 | sing | 1.76Å | 1.61Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| O9 | S2 | doub | 1.42Å | 1.48Å | |
| S3 | O13 | sing | 1.52Å | 1.48Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.50Å | 1.52Å | |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O11 | S2 | doub | 1.42Å | 1.48Å | |
| O8 | C26 | sing | 1.36Å | 1.36Å | |
| C26 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | S2 | sing | 1.76Å | 1.61Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| S2 | O10 | sing | 1.52Å | 1.48Å | |
| C33 | C30 | sing | 1.53Å | 1.53Å | |
| O | C | sing | 1.36Å | 1.36Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.50Å | 1.52Å | |
| C1 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | O30 | sing | 1.43Å | 1.43Å | |
| O30 | C29 | sing | 1.43Å | 1.43Å | |
| C | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| O4 | C28 | sing | 1.43Å | 1.44Å | |
| O4 | C25 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | sing | 1.50Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C25 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | S | sing | 1.76Å | 1.60Å | |
| O2 | S | doub | 1.42Å | 1.48Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.48Å | |
| S | O3 | sing | 1.52Å | 1.48Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | S1 | sing | 1.76Å | 1.60Å | |
| O7 | S1 | doub | 1.42Å | 1.48Å | |
| S1 | O5 | doub | 1.42Å | 1.48Å | |
| S1 | O6 | sing | 1.52Å | 1.47Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O12 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| O8 | H23 | sing | 0.97Å | 0.95Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| O34 | C31 | sing | 1.43Å | 30.42Å | |
| C31 | C32 | sing | 1.53Å | 0.00Å | |
| C32 | O16 | sing | 1.43Å | 0.00Å | |
| O16 | C35 | sing | 1.43Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C36 | O17 | sing | 1.43Å | 0.00Å | |
| O17 | C38 | sing | 1.43Å | 0.00Å | |
| C38 | C39 | sing | 1.53Å | 0.00Å | |
| C39 | O18 | sing | 1.43Å | 0.00Å | |
| O18 | C41 | sing | 1.43Å | 0.00Å | |
| C41 | C42 | sing | 1.53Å | 0.00Å | |
| C42 | O19 | sing | 1.43Å | 0.00Å | |
| O19 | C44 | sing | 1.43Å | 0.00Å | |
| C44 | C45 | sing | 1.53Å | 0.00Å | |
| C45 | O20 | sing | 1.43Å | 0.00Å | |
| O20 | C47 | sing | 1.43Å | 0.00Å | |
| C47 | C48 | sing | 1.53Å | 0.00Å | |
| C48 | O21 | sing | 1.43Å | 0.00Å | |
| O21 | C50 | sing | 1.43Å | 0.00Å | |
| C50 | C51 | sing | 1.53Å | 0.00Å | |
| C51 | O22 | sing | 1.43Å | 0.00Å | |
| O22 | C53 | sing | 1.43Å | 0.00Å | |
| C53 | C54 | sing | 1.53Å | 0.00Å | |
| C54 | O23 | sing | 1.43Å | 0.00Å | |
| O23 | C56 | sing | 1.43Å | 0.00Å | |
| C56 | C57 | sing | 1.53Å | 0.00Å | |
| C57 | O24 | sing | 1.43Å | 0.00Å | |
| O24 | C59 | sing | 1.43Å | 0.00Å | |
| C59 | C60 | sing | 1.53Å | 0.00Å | |
| C60 | O25 | sing | 1.43Å | 0.00Å | |
| O25 | C62 | sing | 1.43Å | 0.00Å | |
| C62 | C63 | sing | 1.53Å | 0.00Å | |
| C63 | O26 | sing | 1.43Å | 0.00Å | |
| O26 | C65 | sing | 1.43Å | 0.00Å | |
| C65 | C66 | sing | 1.53Å | 0.00Å | |
| C66 | O27 | sing | 1.43Å | 0.00Å | |
| O27 | C68 | sing | 1.43Å | 0.00Å | |
| C68 | C69 | sing | 1.53Å | 0.00Å | |
| C69 | O28 | sing | 1.43Å | 0.00Å | |
| O28 | C71 | sing | 1.43Å | 0.00Å | |
| C71 | C72 | sing | 1.53Å | 0.00Å | |
| C72 | O29 | sing | 1.43Å | 0.00Å | |
| O29 | C74 | sing | 1.43Å | 0.00Å | |
| C74 | C75 | sing | 1.53Å | 0.00Å | |
| C75 | O31 | sing | 1.43Å | 0.00Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| O10 | H30 | sing | 0.97Å | 0.95Å | |
| O13 | H31 | sing | 0.97Å | 0.95Å | |
| C31 | H32 | sing | 1.09Å | 0.00Å | |
| C31 | H33 | sing | 1.09Å | 0.00Å | |
| C32 | H34 | sing | 1.09Å | 0.00Å | |
| C32 | H35 | sing | 1.09Å | 0.00Å | |
| C35 | H36 | sing | 1.09Å | 0.00Å | |
| C35 | H37 | sing | 1.09Å | 0.00Å | |
| C36 | H38 | sing | 1.09Å | 0.00Å | |
| C36 | H39 | sing | 1.09Å | 0.00Å | |
| C38 | H40 | sing | 1.09Å | 0.00Å | |
| C38 | H41 | sing | 1.09Å | 0.00Å | |
| C39 | H42 | sing | 1.09Å | 0.00Å | |
| C39 | H43 | sing | 1.09Å | 0.00Å | |
| C41 | H44 | sing | 1.09Å | 0.00Å | |
| C41 | H45 | sing | 1.09Å | 0.00Å | |
| C42 | H46 | sing | 1.09Å | 0.00Å | |
| C42 | H47 | sing | 1.09Å | 0.00Å | |
| C44 | H48 | sing | 1.09Å | 0.00Å | |
| C44 | H49 | sing | 1.09Å | 0.00Å | |
| C45 | H50 | sing | 1.09Å | 0.00Å | |
| C45 | H51 | sing | 1.09Å | 0.00Å | |
| C47 | H52 | sing | 1.09Å | 0.00Å | |
| C47 | H53 | sing | 1.09Å | 0.00Å | |
| C48 | H54 | sing | 1.09Å | 0.00Å | |
| C48 | H55 | sing | 1.09Å | 0.00Å | |
| C50 | H56 | sing | 1.09Å | 0.00Å | |
| C50 | H57 | sing | 1.09Å | 0.00Å | |
| C51 | H58 | sing | 1.09Å | 0.00Å | |
| C51 | H59 | sing | 1.09Å | 0.00Å | |
| C53 | H60 | sing | 1.09Å | 0.00Å | |
| C53 | H61 | sing | 1.09Å | 0.00Å | |
| C54 | H62 | sing | 1.09Å | 0.00Å | |
| C54 | H63 | sing | 1.09Å | 0.00Å | |
| C56 | H64 | sing | 1.09Å | 0.00Å | |
| C56 | H65 | sing | 1.09Å | 0.00Å | |
| C57 | H66 | sing | 1.09Å | 0.00Å | |
| C57 | H67 | sing | 1.09Å | 0.00Å | |
| C59 | H68 | sing | 1.09Å | 0.00Å | |
| C59 | H69 | sing | 1.09Å | 0.00Å | |
| C60 | H70 | sing | 1.09Å | 0.00Å | |
| C60 | H71 | sing | 1.09Å | 0.00Å | |
| C62 | H72 | sing | 1.09Å | 0.00Å | |
| C62 | H73 | sing | 1.09Å | 0.00Å | |
| C63 | H74 | sing | 1.09Å | 0.00Å | |
| C63 | H75 | sing | 1.09Å | 0.00Å | |
| C65 | H76 | sing | 1.09Å | 0.00Å | |
| C65 | H77 | sing | 1.09Å | 0.00Å | |
| C66 | H78 | sing | 1.09Å | 0.00Å | |
| C66 | H79 | sing | 1.09Å | 0.00Å | |
| C68 | H80 | sing | 1.09Å | 0.00Å | |
| C68 | H81 | sing | 1.09Å | 0.00Å | |
| C69 | H82 | sing | 1.09Å | 0.00Å | |
| C69 | H83 | sing | 1.09Å | 0.00Å | |
| C71 | H84 | sing | 1.09Å | 0.00Å | |
| C71 | H85 | sing | 1.09Å | 0.00Å | |
| C72 | H86 | sing | 1.09Å | 0.00Å | |
| C72 | H87 | sing | 1.09Å | 0.00Å | |
| C74 | H88 | sing | 1.09Å | 0.00Å | |
| C74 | H89 | sing | 1.09Å | 0.00Å | |
| C75 | H90 | sing | 1.09Å | 0.00Å | |
| C75 | H91 | sing | 1.09Å | 0.00Å | |
| C76 | O31 | sing | 1.43Å | 0.00Å | |
| C76 | H93 | sing | 1.09Å | 0.00Å | |
| C76 | H94 | sing | 1.09Å | 0.00Å | |
| C76 | H95 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 113.7° | 111.3° |
| C8 | C7 | C6 | 119.1° | 119.3° |
| C8 | C7 | C27 | 121.7° | 120.9° |
| C7 | C8 | H26 | 108.4° | 109.1° |
| C7 | C8 | H27 | 108.4° | 109.1° |
| C8 | C9 | C10 | 119.5° | 120.6° |
| C8 | C9 | C26 | 121.3° | 119.6° |
| C9 | C8 | H26 | 108.4° | 109.2° |
| C9 | C8 | H27 | 108.4° | 109.0° |
| O15 | S3 | O14 | 107.7° | 123.1° |
| O15 | S3 | C5 | 111.1° | 106.4° |
| O15 | S3 | O13 | 109.1° | 106.4° |
| C6 | C7 | C27 | 119.1° | 119.8° |
| C7 | C6 | C5 | 121.1° | 120.3° |
| C7 | C6 | H28 | 119.4° | 119.9° |
| C7 | C27 | O12 | 119.7° | 120.0° |
| C7 | C27 | C3 | 120.6° | 120.0° |
| C6 | C5 | S3 | 121.4° | 120.0° |
| C6 | C5 | C4 | 118.8° | 120.0° |
| C5 | C6 | H28 | 119.5° | 119.9° |
| O14 | S3 | C5 | 108.5° | 106.4° |
| O14 | S3 | O13 | 108.6° | 106.4° |
| O12 | C27 | C3 | 119.7° | 120.0° |
| C27 | O12 | H5 | 109.5° | 114.0° |
| C27 | C3 | C4 | 119.6° | 119.7° |
| C27 | C3 | C2 | 121.5° | 120.7° |
| S3 | C5 | C4 | 119.9° | 120.0° |
| C5 | S3 | O13 | 111.7° | 107.3° |
| C5 | C4 | C3 | 120.8° | 120.2° |
| C5 | C4 | H6 | 119.6° | 119.9° |
| C10 | C9 | C26 | 119.2° | 119.8° |
| C9 | C10 | C11 | 120.7° | 120.1° |
| C9 | C10 | H25 | 119.7° | 120.0° |
| C9 | C26 | O8 | 120.1° | 120.0° |
| C9 | C26 | C13 | 120.5° | 120.1° |
| C10 | C11 | S2 | 120.6° | 119.9° |
| C10 | C11 | C12 | 119.1° | 120.2° |
| C11 | C10 | H25 | 119.7° | 119.9° |
| O9 | S2 | O11 | 108.5° | 123.2° |
| O9 | S2 | C11 | 109.5° | 106.4° |
| O9 | S2 | O10 | 109.1° | 106.4° |
| S3 | O13 | H31 | 109.5° | 114.0° |
| C4 | C3 | C2 | 118.9° | 119.6° |
| C3 | C4 | H6 | 119.6° | 119.9° |
| C3 | C2 | C1 | 111.3° | 110.9° |
| C3 | C2 | H3 | 109.0° | 109.2° |
| C3 | C2 | H4 | 109.0° | 109.1° |
| O34 | C33 | C30 | 110.2° | 109.5° |
| O34 | C33 | H16 | 109.3° | 109.5° |
| O34 | C33 | H17 | 109.3° | 109.4° |
| C33 | O34 | C31 | 103.3° | 114.0° |
| C2 | C1 | C | 121.3° | 120.2° |
| C2 | C1 | C24 | 119.0° | 120.0° |
| C1 | C2 | H3 | 109.0° | 109.2° |
| C1 | C2 | H4 | 109.0° | 109.2° |
| O11 | S2 | C11 | 110.3° | 106.4° |
| O11 | S2 | O10 | 108.6° | 106.4° |
| O8 | C26 | C13 | 119.4° | 119.9° |
| C26 | O8 | H23 | 109.5° | 114.0° |
| C26 | C13 | C12 | 119.7° | 119.9° |
| C26 | C13 | C14 | 121.2° | 120.7° |
| S2 | C11 | C12 | 120.3° | 119.9° |
| C11 | S2 | O10 | 110.9° | 107.2° |
| C11 | C12 | C13 | 120.8° | 119.9° |
| C11 | C12 | H24 | 119.6° | 120.0° |
| S2 | O10 | H30 | 109.5° | 114.0° |
| C33 | C30 | O30 | 109.3° | 109.5° |
| C33 | C30 | H14 | 109.5° | 109.5° |
| C33 | C30 | H15 | 109.5° | 109.5° |
| C30 | C33 | H16 | 109.3° | 109.5° |
| C30 | C33 | H17 | 109.3° | 109.5° |
| O | C | C1 | 119.9° | 120.1° |
| O | C | C21 | 119.8° | 120.0° |
| C | O | H2 | 109.5° | 114.0° |
| C12 | C13 | C14 | 119.1° | 119.4° |
| C13 | C12 | H24 | 119.6° | 120.0° |
| C13 | C14 | C15 | 109.1° | 110.4° |
| C13 | C14 | H21 | 109.6° | 109.3° |
| C13 | C14 | H22 | 109.5° | 109.1° |
| C | C1 | C24 | 119.7° | 119.8° |
| C1 | C | C21 | 120.3° | 119.9° |
| C1 | C24 | C23 | 120.4° | 120.2° |
| C1 | C24 | H1 | 119.8° | 119.9° |
| C30 | O30 | C29 | 115.7° | 114.0° |
| O30 | C30 | H14 | 109.5° | 109.4° |
| O30 | C30 | H15 | 109.5° | 109.5° |
| O30 | C29 | C28 | 109.1° | 109.4° |
| O30 | C29 | H12 | 109.5° | 109.4° |
| O30 | C29 | H13 | 109.6° | 109.5° |
| C | C21 | C20 | 121.6° | 120.1° |
| C | C21 | C22 | 119.7° | 120.0° |
| C24 | C23 | C22 | 119.5° | 120.1° |
| C24 | C23 | S | 120.1° | 119.9° |
| C23 | C24 | H1 | 119.8° | 119.9° |
| C28 | O4 | C25 | 119.9° | 117.0° |
| O4 | C28 | C29 | 114.2° | 109.5° |
| O4 | C28 | H10 | 108.3° | 109.5° |
| O4 | C28 | H11 | 108.2° | 109.5° |
| O4 | C25 | C15 | 119.5° | 120.0° |
| O4 | C25 | C19 | 120.8° | 120.0° |
| C14 | C15 | C25 | 122.0° | 120.6° |
| C14 | C15 | C16 | 117.8° | 119.7° |
| C15 | C14 | H21 | 109.6° | 109.3° |
| C15 | C14 | H22 | 109.6° | 109.4° |
| C29 | C28 | H10 | 108.2° | 109.5° |
| C29 | C28 | H11 | 108.3° | 109.4° |
| C28 | C29 | H12 | 109.6° | 109.5° |
| C28 | C29 | H13 | 109.6° | 109.5° |
| C15 | C25 | C19 | 119.7° | 120.0° |
| C25 | C15 | C16 | 120.2° | 119.7° |
| C25 | C19 | C20 | 122.7° | 120.1° |
| C25 | C19 | C18 | 119.6° | 120.1° |
| C15 | C16 | C17 | 120.6° | 120.2° |
| C15 | C16 | H20 | 119.7° | 119.9° |
| C20 | C21 | C22 | 118.8° | 119.9° |
| C21 | C20 | C19 | 107.3° | 109.2° |
| C21 | C20 | H8 | 110.0° | 109.5° |
| C21 | C20 | H9 | 110.0° | 109.6° |
| C21 | C22 | C23 | 120.6° | 120.0° |
| C21 | C22 | H7 | 119.7° | 120.0° |
| C22 | C23 | S | 120.4° | 120.0° |
| C23 | C22 | H7 | 119.7° | 120.0° |
| C23 | S | O2 | 109.4° | 106.4° |
| C23 | S | O1 | 109.5° | 106.4° |
| C23 | S | O3 | 111.0° | 107.2° |
| O2 | S | O1 | 109.6° | 123.2° |
| O2 | S | O3 | 107.9° | 106.4° |
| C20 | C19 | C18 | 117.6° | 119.8° |
| C19 | C20 | H8 | 110.0° | 109.5° |
| C19 | C20 | H9 | 110.0° | 109.5° |
| C19 | C18 | C17 | 120.8° | 120.0° |
| C19 | C18 | H19 | 119.6° | 120.0° |
| C16 | C17 | C18 | 119.0° | 120.1° |
| C16 | C17 | S1 | 121.2° | 119.9° |
| C17 | C16 | H20 | 119.7° | 119.9° |
| O1 | S | O3 | 109.4° | 106.4° |
| S | O3 | H29 | 109.5° | 114.0° |
| C18 | C17 | S1 | 119.8° | 119.9° |
| C17 | C18 | H19 | 119.6° | 120.0° |
| C17 | S1 | O7 | 112.4° | 106.4° |
| C17 | S1 | O5 | 111.6° | 106.4° |
| C17 | S1 | O6 | 107.4° | 107.3° |
| O7 | S1 | O5 | 108.8° | 123.1° |
| O7 | S1 | O6 | 109.1° | 106.4° |
| O5 | S1 | O6 | 107.5° | 106.4° |
| S1 | O6 | H18 | 109.5° | 114.0° |
| H3 | C2 | H4 | 109.5° | 109.2° |
| H8 | C20 | H9 | 109.4° | 109.6° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H16 | C33 | H17 | 109.4° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.3° |
| H26 | C8 | H27 | 109.5° | 109.1° |
| O34 | C31 | C32 | 90.0° | 109.5° |
| O34 | C31 | H32 | 90.0° | 109.5° |
| O34 | C31 | H33 | 90.0° | 109.5° |
| C31 | C32 | O16 | 90.0° | 109.5° |
| C32 | C31 | H32 | 90.0° | 109.5° |
| C32 | C31 | H33 | 90.0° | 109.5° |
| C31 | C32 | H34 | 90.0° | 109.5° |
| C31 | C32 | H35 | 90.0° | 109.5° |
| C32 | O16 | C35 | 90.0° | 114.0° |
| O16 | C32 | H34 | 90.0° | 109.5° |
| O16 | C32 | H35 | 90.0° | 109.5° |
| O16 | C35 | C36 | 90.0° | 109.5° |
| O16 | C35 | H36 | 90.0° | 109.4° |
| O16 | C35 | H37 | 90.0° | 109.5° |
| C35 | C36 | O17 | 90.0° | 109.5° |
| C36 | C35 | H36 | 90.0° | 109.4° |
| C36 | C35 | H37 | 90.0° | 109.5° |
| C35 | C36 | H38 | 90.0° | 109.5° |
| C35 | C36 | H39 | 90.0° | 109.4° |
| C36 | O17 | C38 | 90.0° | 114.0° |
| O17 | C36 | H38 | 90.0° | 109.5° |
| O17 | C36 | H39 | 90.0° | 109.5° |
| O17 | C38 | C39 | 90.0° | 109.5° |
| O17 | C38 | H40 | 90.0° | 109.5° |
| O17 | C38 | H41 | 90.0° | 109.5° |
| C38 | C39 | O18 | 90.0° | 109.5° |
| C39 | C38 | H40 | 90.0° | 109.5° |
| C39 | C38 | H41 | 90.0° | 109.4° |
| C38 | C39 | H42 | 90.0° | 109.5° |
| C38 | C39 | H43 | 90.0° | 109.5° |
| C39 | O18 | C41 | 90.0° | 114.0° |
| O18 | C39 | H42 | 90.0° | 109.5° |
| O18 | C39 | H43 | 90.0° | 109.4° |
| O18 | C41 | C42 | 90.0° | 109.5° |
| O18 | C41 | H44 | 90.0° | 109.4° |
| O18 | C41 | H45 | 90.0° | 109.4° |
| C41 | C42 | O19 | 90.0° | 109.4° |
| C42 | C41 | H44 | 90.0° | 109.5° |
| C42 | C41 | H45 | 90.0° | 109.5° |
| C41 | C42 | H46 | 90.0° | 109.4° |
| C41 | C42 | H47 | 90.0° | 109.5° |
| C42 | O19 | C44 | 90.0° | 114.0° |
| O19 | C42 | H46 | 90.0° | 109.5° |
| O19 | C42 | H47 | 90.0° | 109.5° |
| O19 | C44 | C45 | 90.0° | 109.5° |
| O19 | C44 | H48 | 90.0° | 109.5° |
| O19 | C44 | H49 | 90.0° | 109.5° |
| C44 | C45 | O20 | 90.0° | 109.5° |
| C45 | C44 | H48 | 90.0° | 109.5° |
| C45 | C44 | H49 | 90.0° | 109.5° |
| C44 | C45 | H50 | 90.0° | 109.5° |
| C44 | C45 | H51 | 90.0° | 109.4° |
| C45 | O20 | C47 | 90.0° | 114.0° |
| O20 | C45 | H50 | 90.0° | 109.5° |
| O20 | C45 | H51 | 90.0° | 109.5° |
| O20 | C47 | C48 | 90.0° | 109.5° |
| O20 | C47 | H52 | 90.0° | 109.5° |
| O20 | C47 | H53 | 90.0° | 109.5° |
| C47 | C48 | O21 | 90.0° | 109.5° |
| C48 | C47 | H52 | 90.0° | 109.5° |
| C48 | C47 | H53 | 90.0° | 109.5° |
| C47 | C48 | H54 | 90.0° | 109.5° |
| C47 | C48 | H55 | 90.0° | 109.5° |
| C48 | O21 | C50 | 90.0° | 114.0° |
| O21 | C48 | H54 | 90.0° | 109.5° |
| O21 | C48 | H55 | 90.0° | 109.4° |
| O21 | C50 | C51 | 90.0° | 109.5° |
| O21 | C50 | H56 | 90.0° | 109.5° |
| O21 | C50 | H57 | 90.0° | 109.5° |
| C50 | C51 | O22 | 90.0° | 109.5° |
| C51 | C50 | H56 | 90.0° | 109.4° |
| C51 | C50 | H57 | 90.0° | 109.5° |
| C50 | C51 | H58 | 90.0° | 109.5° |
| C50 | C51 | H59 | 90.0° | 109.4° |
| C51 | O22 | C53 | 90.0° | 114.0° |
| O22 | C51 | H58 | 90.0° | 109.5° |
| O22 | C51 | H59 | 90.0° | 109.5° |
| O22 | C53 | C54 | 90.0° | 109.5° |
| O22 | C53 | H60 | 90.0° | 109.5° |
| O22 | C53 | H61 | 90.0° | 109.5° |
| C53 | C54 | O23 | 90.0° | 109.5° |
| C54 | C53 | H60 | 90.0° | 109.4° |
| C54 | C53 | H61 | 90.0° | 109.5° |
| C53 | C54 | H62 | 90.0° | 109.5° |
| C53 | C54 | H63 | 90.0° | 109.5° |
| C54 | O23 | C56 | 90.0° | 114.0° |
| O23 | C54 | H62 | 90.0° | 109.4° |
| O23 | C54 | H63 | 90.0° | 109.5° |
| O23 | C56 | C57 | 90.0° | 109.5° |
| O23 | C56 | H64 | 90.0° | 109.5° |
| O23 | C56 | H65 | 90.0° | 109.5° |
| C56 | C57 | O24 | 90.0° | 109.5° |
| C57 | C56 | H64 | 90.0° | 109.5° |
| C57 | C56 | H65 | 90.0° | 109.5° |
| C56 | C57 | H66 | 90.0° | 109.5° |
| C56 | C57 | H67 | 90.0° | 109.5° |
| C57 | O24 | C59 | 90.0° | 114.0° |
| O24 | C57 | H66 | 90.0° | 109.4° |
| O24 | C57 | H67 | 90.0° | 109.5° |
| O24 | C59 | C60 | 90.0° | 109.5° |
| O24 | C59 | H68 | 90.0° | 109.5° |
| O24 | C59 | H69 | 90.0° | 109.5° |
| C59 | C60 | O25 | 90.0° | 109.5° |
| C60 | C59 | H68 | 90.0° | 109.5° |
| C60 | C59 | H69 | 90.0° | 109.5° |
| C59 | C60 | H70 | 90.0° | 109.4° |
| C59 | C60 | H71 | 90.0° | 109.5° |
| C60 | O25 | C62 | 90.0° | 114.0° |
| O25 | C60 | H70 | 90.0° | 109.4° |
| O25 | C60 | H71 | 90.0° | 109.5° |
| O25 | C62 | C63 | 90.0° | 109.4° |
| O25 | C62 | H72 | 90.0° | 109.4° |
| O25 | C62 | H73 | 90.0° | 109.5° |
| C62 | C63 | O26 | 90.0° | 109.5° |
| C63 | C62 | H72 | 90.0° | 109.5° |
| C63 | C62 | H73 | 90.0° | 109.5° |
| C62 | C63 | H74 | 90.0° | 109.4° |
| C62 | C63 | H75 | 90.0° | 109.4° |
| C63 | O26 | C65 | 90.0° | 114.0° |
| O26 | C63 | H74 | 90.0° | 109.5° |
| O26 | C63 | H75 | 90.0° | 109.5° |
| O26 | C65 | C66 | 90.0° | 109.4° |
| O26 | C65 | H76 | 90.0° | 109.4° |
| O26 | C65 | H77 | 90.0° | 109.5° |
| C65 | C66 | O27 | 90.0° | 109.5° |
| C66 | C65 | H76 | 90.0° | 109.5° |
| C66 | C65 | H77 | 90.0° | 109.5° |
| C65 | C66 | H78 | 90.0° | 109.5° |
| C65 | C66 | H79 | 90.0° | 109.5° |
| C66 | O27 | C68 | 90.0° | 114.0° |
| O27 | C66 | H78 | 90.0° | 109.4° |
| O27 | C66 | H79 | 90.0° | 109.5° |
| O27 | C68 | C69 | 90.0° | 109.5° |
| O27 | C68 | H80 | 90.0° | 109.4° |
| O27 | C68 | H81 | 90.0° | 109.5° |
| C68 | C69 | O28 | 90.0° | 109.5° |
| C69 | C68 | H80 | 90.0° | 109.5° |
| C69 | C68 | H81 | 90.0° | 109.5° |
| C68 | C69 | H82 | 90.0° | 109.5° |
| C68 | C69 | H83 | 90.0° | 109.4° |
| C69 | O28 | C71 | 90.0° | 114.0° |
| O28 | C69 | H82 | 90.0° | 109.5° |
| O28 | C69 | H83 | 90.0° | 109.5° |
| O28 | C71 | C72 | 90.0° | 109.5° |
| O28 | C71 | H84 | 90.0° | 109.5° |
| O28 | C71 | H85 | 90.0° | 109.4° |
| C71 | C72 | O29 | 90.0° | 109.4° |
| C72 | C71 | H84 | 90.0° | 109.5° |
| C72 | C71 | H85 | 90.0° | 109.5° |
| C71 | C72 | H86 | 90.0° | 109.4° |
| C71 | C72 | H87 | 90.0° | 109.5° |
| C72 | O29 | C74 | 90.0° | 114.0° |
| O29 | C72 | H86 | 90.0° | 109.5° |
| O29 | C72 | H87 | 90.0° | 109.5° |
| O29 | C74 | C75 | 90.0° | 109.5° |
| O29 | C74 | H88 | 90.0° | 109.5° |
| O29 | C74 | H89 | 90.0° | 109.5° |
| C74 | C75 | O31 | 90.0° | 109.4° |
| C75 | C74 | H88 | 90.0° | 109.5° |
| C75 | C74 | H89 | 90.0° | 109.4° |
| C74 | C75 | H90 | 90.0° | 109.5° |
| C74 | C75 | H91 | 90.0° | 109.5° |
| O31 | C75 | H90 | 90.0° | 109.4° |
| O31 | C75 | H91 | 90.0° | 109.5° |
| C75 | O31 | C76 | 90.0° | 114.0° |
| H32 | C31 | H33 | 90.0° | 109.4° |
| H34 | C32 | H35 | 90.0° | 109.4° |
| H36 | C35 | H37 | 90.0° | 109.5° |
| H38 | C36 | H39 | 90.0° | 109.5° |
| H40 | C38 | H41 | 90.0° | 109.5° |
| H42 | C39 | H43 | 90.0° | 109.5° |
| H44 | C41 | H45 | 90.0° | 109.5° |
| H46 | C42 | H47 | 90.0° | 109.5° |
| H48 | C44 | H49 | 90.0° | 109.5° |
| H50 | C45 | H51 | 90.0° | 109.4° |
| H52 | C47 | H53 | 90.0° | 109.5° |
| H54 | C48 | H55 | 90.0° | 109.4° |
| H56 | C50 | H57 | 90.0° | 109.4° |
| H58 | C51 | H59 | 90.0° | 109.5° |
| H60 | C53 | H61 | 90.0° | 109.5° |
| H62 | C54 | H63 | 90.0° | 109.5° |
| H64 | C56 | H65 | 90.0° | 109.4° |
| H66 | C57 | H67 | 90.0° | 109.5° |
| H68 | C59 | H69 | 90.0° | 109.5° |
| H70 | C60 | H71 | 90.0° | 109.5° |
| H72 | C62 | H73 | 90.0° | 109.5° |
| H74 | C63 | H75 | 90.0° | 109.4° |
| H76 | C65 | H77 | 90.0° | 109.5° |
| H78 | C66 | H79 | 90.0° | 109.4° |
| H80 | C68 | H81 | 90.0° | 109.5° |
| H82 | C69 | H83 | 90.0° | 109.5° |
| H84 | C71 | H85 | 90.0° | 109.4° |
| H86 | C72 | H87 | 90.0° | 109.5° |
| H88 | C74 | H89 | 90.0° | 109.5° |
| H90 | C75 | H91 | 90.0° | 109.5° |
| O31 | C76 | H93 | 90.0° | 109.4° |
| O31 | C76 | H94 | 90.0° | 109.5° |
| O31 | C76 | H95 | 90.0° | 109.5° |
| H93 | C76 | H94 | 90.0° | 109.5° |
| H93 | C76 | H95 | 90.0° | 109.5° |
| H94 | C76 | H95 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H26 | 120.6° | 120.5° |
| C7 | C8 | C9 | H27 | 120.6° | 120.4° |
| C8 | C7 | C6 | C27 | 179.0° | 179.5° |
| C8 | C7 | C6 | C5 | 179.6° | 179.6° |
| C8 | C7 | C27 | O12 | 0.7° | 0.5° |
| C8 | C7 | C27 | C3 | 179.8° | 179.4° |
| C7 | C8 | C9 | C10 | 109.1° | 75.9° |
| C7 | C8 | C9 | C26 | 71.7° | 105.7° |
| C7 | C8 | H26 | H27 | 118.1° | 119.1° |
| C8 | C7 | C6 | H28 | 0.4° | 0.3° |
| C9 | C8 | C7 | C6 | 86.9° | 119.3° |
| C9 | C8 | C7 | C27 | 94.1° | 61.2° |
| C8 | C9 | C10 | C26 | 179.2° | 178.4° |
| C8 | C9 | C10 | C11 | 179.8° | 177.4° |
| C8 | C9 | C26 | O8 | 0.2° | 2.8° |
| C8 | C9 | C26 | C13 | 179.9° | 177.1° |
| C8 | C9 | C10 | H25 | 0.2° | 2.6° |
| C9 | C8 | H26 | H27 | 118.1° | 119.0° |
| O15 | S3 | C5 | C6 | 20.3° | 156.4° |
| O15 | S3 | O14 | C5 | 120.4° | 122.9° |
| O15 | S3 | O14 | O13 | 118.0° | 122.9° |
| O15 | S3 | C5 | O13 | 122.1° | 113.6° |
| O15 | S3 | C5 | C4 | 159.5° | 23.7° |
| O15 | S3 | O13 | H31 | 117.1° | 66.4° |
| C7 | C6 | C5 | H28 | 180.0° | 179.9° |
| C6 | C7 | C27 | O12 | 179.7° | 179.9° |
| C6 | C7 | C27 | C3 | 0.8° | 0.0° |
| C7 | C6 | C5 | S3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C8 | H26 | 152.5° | 120.1° |
| C6 | C7 | C8 | H27 | 33.7° | 1.0° |
| C27 | C7 | C6 | C5 | 0.5° | 0.1° |
| C7 | C27 | O12 | C3 | 179.5° | 179.9° |
| C7 | C27 | C3 | C4 | 0.7° | 0.3° |
| C7 | C27 | C3 | C2 | 179.8° | 180.0° |
| C7 | C27 | O12 | H5 | 180.0° | 84.2° |
| C27 | C7 | C8 | H26 | 26.5° | 59.3° |
| C27 | C7 | C8 | H27 | 145.3° | 178.4° |
| C27 | C7 | C6 | H28 | 179.5° | 179.7° |
| C6 | C5 | S3 | O14 | 138.5° | 23.5° |
| C6 | C5 | S3 | C4 | 179.8° | 179.9° |
| C6 | C5 | S3 | O13 | 101.8° | 90.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H6 | 179.8° | 179.8° |
| O14 | S3 | C5 | O13 | 119.7° | 113.5° |
| O14 | S3 | C5 | C4 | 41.3° | 156.6° |
| O14 | S3 | O13 | H31 | 0.0° | 66.5° |
| O12 | C27 | C3 | C4 | 179.8° | 179.8° |
| O12 | C27 | C3 | C2 | 0.2° | 0.1° |
| C27 | C3 | C4 | C5 | 0.4° | 0.4° |
| C27 | C3 | C4 | C2 | 179.6° | 179.7° |
| C27 | C3 | C2 | C1 | 95.5° | 36.0° |
| C27 | C3 | C2 | H3 | 144.2° | 84.3° |
| C27 | C3 | C2 | H4 | 24.7° | 156.4° |
| C3 | C27 | O12 | H5 | 0.5° | 95.9° |
| C27 | C3 | C4 | H6 | 179.6° | 179.6° |
| S3 | C5 | C4 | C3 | 180.0° | 179.9° |
| S3 | C5 | C4 | H6 | 0.0° | 0.1° |
| S3 | C5 | C6 | H28 | 0.0° | 0.3° |
| C5 | S3 | O13 | H31 | 119.7° | 180.0° |
| C4 | C5 | S3 | O13 | 78.4° | 89.9° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.9° | 179.8° |
| C4 | C5 | C6 | H28 | 179.8° | 179.9° |
| C9 | C10 | C11 | H25 | 180.0° | 180.0° |
| C10 | C9 | C26 | O8 | 179.4° | 178.8° |
| C10 | C9 | C26 | C13 | 0.8° | 1.3° |
| C9 | C10 | C11 | S2 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.4° | 0.2° |
| C10 | C9 | C8 | H26 | 130.2° | 163.6° |
| C10 | C9 | C8 | H27 | 11.5° | 44.5° |
| C26 | C9 | C10 | C11 | 0.7° | 1.0° |
| C9 | C26 | O8 | C13 | 179.8° | 180.0° |
| C9 | C26 | C13 | C12 | 0.6° | 0.8° |
| C9 | C26 | C13 | C14 | 179.6° | 178.8° |
| C9 | C26 | O8 | H23 | 180.0° | 89.9° |
| C26 | C9 | C10 | H25 | 179.3° | 179.0° |
| C26 | C9 | C8 | H26 | 48.9° | 14.8° |
| C26 | C9 | C8 | H27 | 167.7° | 133.9° |
| C10 | C11 | S2 | O9 | 77.8° | 29.0° |
| C10 | C11 | S2 | O11 | 41.4° | 162.0° |
| C10 | C11 | S2 | C12 | 179.7° | 180.0° |
| C10 | C11 | S2 | O10 | 161.8° | 84.5° |
| C10 | C11 | C12 | C13 | 0.2° | 0.3° |
| C10 | C11 | C12 | H24 | 179.8° | 179.7° |
| O9 | S2 | O11 | C11 | 119.9° | 123.0° |
| O9 | S2 | O11 | O10 | 118.5° | 122.9° |
| O9 | S2 | C11 | O10 | 120.4° | 113.5° |
| O9 | S2 | C11 | C12 | 101.9° | 150.9° |
| O9 | S2 | O10 | H30 | 118.0° | 66.5° |
| C4 | C3 | C2 | C1 | 84.9° | 144.2° |
| C4 | C3 | C2 | H3 | 35.4° | 95.4° |
| C4 | C3 | C2 | H4 | 154.8° | 23.9° |
| C3 | C2 | C1 | H3 | 120.3° | 120.4° |
| C3 | C2 | C1 | H4 | 120.3° | 120.3° |
| C3 | C2 | C1 | C | 77.6° | 93.8° |
| C3 | C2 | C1 | C24 | 102.7° | 87.3° |
| C3 | C2 | H3 | H4 | 119.2° | 119.2° |
| C2 | C3 | C4 | H6 | 0.1° | 0.1° |
| O34 | C33 | C30 | H16 | 120.1° | 120.0° |
| O34 | C33 | C30 | H17 | 120.1° | 120.0° |
| O34 | C33 | C30 | O30 | 138.7° | 66.0° |
| O34 | C33 | C30 | H14 | 18.7° | 54.0° |
| O34 | C33 | C30 | H15 | 101.4° | 174.0° |
| O34 | C33 | H16 | H17 | 119.7° | 120.0° |
| C33 | O34 | C31 | C32 | 90.0° | 174.9° |
| C33 | O34 | C31 | H32 | 90.0° | 54.9° |
| C33 | O34 | C31 | H33 | 90.0° | 65.0° |
| C2 | C1 | C | O | 0.1° | 2.0° |
| C2 | C1 | C | C24 | 179.7° | 178.9° |
| C2 | C1 | C | C21 | 179.8° | 178.1° |
| C2 | C1 | C24 | C23 | 179.9° | 178.6° |
| C2 | C1 | C24 | H1 | 0.1° | 1.4° |
| C1 | C2 | H3 | H4 | 119.1° | 119.3° |
| O11 | S2 | C11 | O10 | 120.3° | 113.5° |
| O11 | S2 | C11 | C12 | 138.9° | 18.0° |
| O11 | S2 | O10 | H30 | 0.0° | 66.4° |
| O8 | C26 | C13 | C12 | 179.6° | 179.3° |
| O8 | C26 | C13 | C14 | 0.3° | 1.2° |
| C26 | C13 | C12 | C11 | 0.3° | 0.0° |
| C26 | C13 | C12 | C14 | 179.8° | 179.5° |
| C26 | C13 | C14 | C15 | 70.7° | 19.9° |
| C26 | C13 | C14 | H21 | 49.3° | 100.4° |
| C26 | C13 | C14 | H22 | 169.4° | 140.1° |
| C13 | C26 | O8 | H23 | 0.2° | 90.0° |
| C26 | C13 | C12 | H24 | 179.7° | 180.0° |
| S2 | C11 | C12 | C13 | 179.8° | 179.7° |
| S2 | C11 | C12 | H24 | 0.1° | 0.2° |
| S2 | C11 | C10 | H25 | 0.1° | 0.2° |
| C11 | S2 | O10 | H30 | 121.4° | 179.9° |
| C12 | C11 | S2 | O10 | 18.6° | 95.6° |
| C11 | C12 | C13 | H24 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.9° | 179.6° |
| C12 | C11 | C10 | H25 | 179.6° | 179.8° |
| C33 | C30 | O30 | H14 | 120.0° | 120.0° |
| C33 | C30 | O30 | H15 | 120.0° | 120.0° |
| C33 | C30 | O30 | C29 | 116.9° | 174.4° |
| C33 | C30 | H14 | H15 | 120.1° | 120.0° |
| C30 | C33 | H16 | H17 | 119.6° | 120.0° |
| C30 | C33 | O34 | C31 | 140.4° | 175.5° |
| O | C | C1 | C21 | 179.9° | 179.9° |
| O | C | C1 | C24 | 179.7° | 179.1° |
| O | C | C21 | C20 | 0.8° | 0.9° |
| O | C | C21 | C22 | 179.9° | 179.2° |
| C12 | C13 | C14 | C15 | 109.5° | 160.6° |
| C12 | C13 | C14 | H21 | 130.5° | 79.1° |
| C12 | C13 | C14 | H22 | 10.5° | 40.3° |
| C13 | C14 | C15 | H21 | 120.0° | 120.3° |
| C13 | C14 | C15 | H22 | 119.9° | 120.1° |
| C13 | C14 | C15 | C25 | 104.5° | 74.3° |
| C13 | C14 | C15 | C16 | 74.2° | 106.7° |
| C13 | C14 | H21 | H22 | 120.1° | 119.4° |
| C14 | C13 | C12 | H24 | 0.1° | 0.5° |
| C | C1 | C24 | C23 | 0.2° | 0.3° |
| C1 | C | C21 | C20 | 179.3° | 179.2° |
| C1 | C | C21 | C22 | 0.2° | 0.8° |
| C | C1 | C24 | H1 | 179.8° | 179.7° |
| C1 | C | O | H2 | 180.0° | 94.8° |
| C | C1 | C2 | H3 | 162.1° | 26.6° |
| C | C1 | C2 | H4 | 42.7° | 145.9° |
| C24 | C1 | C | C21 | 0.1° | 0.8° |
| C1 | C24 | C23 | H1 | 180.0° | 180.0° |
| C1 | C24 | C23 | C22 | 0.0° | 0.2° |
| C1 | C24 | C23 | S | 180.0° | 179.5° |
| C24 | C1 | C2 | H3 | 17.5° | 152.3° |
| C24 | C1 | C2 | H4 | 137.0° | 33.0° |
| C30 | O30 | C29 | C28 | 164.1° | 175.1° |
| C30 | O30 | C29 | H12 | 76.0° | 65.0° |
| C30 | O30 | C29 | H13 | 44.1° | 55.0° |
| O30 | C30 | H14 | H15 | 120.0° | 120.0° |
| O30 | C30 | C33 | H16 | 101.2° | 174.0° |
| O30 | C30 | C33 | H17 | 18.6° | 54.0° |
| O30 | C29 | C28 | O4 | 80.5° | 66.9° |
| O30 | C29 | C28 | H12 | 119.9° | 119.9° |
| O30 | C29 | C28 | H13 | 119.9° | 120.0° |
| O30 | C29 | C28 | H10 | 158.8° | 53.1° |
| O30 | C29 | C28 | H11 | 40.2° | 173.1° |
| O30 | C29 | H12 | H13 | 120.2° | 120.1° |
| C29 | O30 | C30 | H14 | 123.1° | 54.4° |
| C29 | O30 | C30 | H15 | 3.1° | 65.6° |
| C | C21 | C20 | C22 | 179.1° | 180.0° |
| C | C21 | C22 | C23 | 0.5° | 0.3° |
| C | C21 | C20 | C19 | 73.4° | 86.7° |
| C21 | C | O | H2 | 0.1° | 85.3° |
| C | C21 | C22 | H7 | 179.5° | 179.5° |
| C | C21 | C20 | H8 | 166.9° | 153.5° |
| C | C21 | C20 | H9 | 46.3° | 33.3° |
| C24 | C23 | C22 | C21 | 0.4° | 0.2° |
| C24 | C23 | C22 | S | 180.0° | 179.7° |
| C24 | C23 | S | O2 | 39.8° | 23.9° |
| C24 | C23 | S | O1 | 80.3° | 156.8° |
| C24 | C23 | S | O3 | 158.8° | 89.7° |
| C24 | C23 | C22 | H7 | 179.6° | 179.9° |
| O4 | C28 | C29 | H10 | 120.7° | 120.0° |
| O4 | C28 | C29 | H11 | 120.7° | 120.0° |
| C28 | O4 | C25 | C15 | 102.7° | 95.8° |
| C28 | O4 | C25 | C19 | 76.8° | 84.3° |
| O4 | C28 | H10 | H11 | 117.8° | 120.0° |
| O4 | C28 | C29 | H12 | 159.6° | 173.2° |
| O4 | C28 | C29 | H13 | 39.5° | 53.1° |
| O4 | C25 | C15 | C14 | 1.4° | 1.5° |
| C25 | O4 | C28 | C29 | 79.4° | 174.3° |
| O4 | C25 | C15 | C19 | 179.5° | 180.0° |
| O4 | C25 | C15 | C16 | 180.0° | 179.5° |
| O4 | C25 | C19 | C20 | 1.7° | 0.3° |
| O4 | C25 | C19 | C18 | 180.0° | 179.7° |
| C25 | O4 | C28 | H10 | 41.3° | 65.6° |
| C25 | O4 | C28 | H11 | 159.9° | 54.4° |
| C14 | C15 | C25 | C16 | 178.6° | 179.0° |
| C14 | C15 | C25 | C19 | 179.1° | 178.5° |
| C14 | C15 | C16 | C17 | 178.8° | 178.1° |
| C14 | C15 | C16 | H20 | 1.2° | 1.9° |
| C15 | C14 | H21 | H22 | 120.2° | 119.6° |
| C29 | C28 | H10 | H11 | 117.9° | 120.0° |
| C28 | C29 | H12 | H13 | 120.2° | 120.0° |
| C15 | C25 | C19 | C20 | 178.8° | 179.6° |
| C15 | C25 | C19 | C18 | 0.5° | 0.3° |
| C25 | C15 | C16 | C17 | 0.1° | 0.9° |
| C25 | C15 | C16 | H20 | 179.9° | 179.1° |
| C25 | C15 | C14 | H21 | 15.5° | 165.4° |
| C25 | C15 | C14 | H22 | 135.6° | 45.8° |
| C19 | C25 | C15 | C16 | 0.5° | 0.5° |
| C25 | C19 | C20 | C21 | 103.1° | 94.0° |
| C25 | C19 | C20 | C18 | 178.3° | 179.9° |
| C25 | C19 | C18 | C17 | 0.3° | 0.7° |
| C25 | C19 | C20 | H8 | 137.2° | 146.1° |
| C25 | C19 | C20 | H9 | 16.5° | 26.0° |
| C25 | C19 | C18 | H19 | 179.7° | 179.3° |
| C15 | C16 | C17 | H20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.5° |
| C15 | C16 | C17 | S1 | 178.9° | 179.5° |
| C16 | C15 | C14 | H21 | 165.8° | 13.6° |
| C16 | C15 | C14 | H22 | 45.7° | 133.2° |
| C20 | C21 | C22 | C23 | 179.6° | 179.7° |
| C21 | C20 | C19 | H8 | 119.7° | 119.9° |
| C21 | C20 | C19 | H9 | 119.7° | 120.0° |
| C21 | C20 | C19 | C18 | 75.2° | 86.0° |
| C20 | C21 | C22 | H7 | 0.4° | 0.5° |
| C21 | C20 | H8 | H9 | 121.0° | 120.2° |
| C21 | C22 | C23 | H7 | 180.0° | 179.8° |
| C21 | C22 | C23 | S | 179.7° | 179.5° |
| C22 | C21 | C20 | C19 | 105.7° | 93.4° |
| C22 | C21 | C20 | H8 | 14.0° | 26.5° |
| C22 | C21 | C20 | H9 | 134.6° | 146.7° |
| C22 | C23 | S | O2 | 140.2° | 156.5° |
| C22 | C23 | S | O1 | 99.6° | 23.6° |
| C22 | C23 | S | O3 | 21.2° | 89.9° |
| C22 | C23 | C24 | H1 | 180.0° | 179.8° |
| C23 | S | O2 | O1 | 120.1° | 122.9° |
| C23 | S | O2 | O3 | 120.9° | 114.1° |
| C23 | S | O1 | O3 | 121.9° | 114.1° |
| S | C23 | C24 | H1 | 0.0° | 0.5° |
| S | C23 | C22 | H7 | 0.3° | 0.3° |
| C23 | S | O3 | H29 | 119.8° | 180.0° |
| O2 | S | O1 | O3 | 118.2° | 123.0° |
| O2 | S | O3 | H29 | 0.0° | 66.5° |
| C20 | C19 | C18 | C17 | 178.6° | 179.2° |
| C19 | C20 | H8 | H9 | 121.0° | 120.1° |
| C20 | C19 | C18 | H19 | 1.3° | 0.8° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | S1 | 178.9° | 179.7° |
| C18 | C19 | C20 | H8 | 44.5° | 33.9° |
| C18 | C19 | C20 | H9 | 165.1° | 154.1° |
| C16 | C17 | C18 | S1 | 178.8° | 179.9° |
| C16 | C17 | S1 | O7 | 16.3° | 156.5° |
| C16 | C17 | S1 | O5 | 138.8° | 23.6° |
| C16 | C17 | S1 | O6 | 103.7° | 90.0° |
| C16 | C17 | C18 | H19 | 179.9° | 179.6° |
| O1 | S | O3 | H29 | 119.2° | 66.5° |
| C18 | C17 | S1 | O7 | 164.9° | 23.6° |
| C18 | C17 | S1 | O5 | 42.4° | 156.5° |
| C18 | C17 | S1 | O6 | 75.1° | 90.0° |
| C18 | C17 | C16 | H20 | 179.8° | 179.5° |
| C17 | S1 | O7 | O5 | 124.1° | 123.0° |
| C17 | S1 | O7 | O6 | 118.9° | 114.1° |
| C17 | S1 | O5 | O6 | 117.4° | 114.1° |
| S1 | C17 | C18 | H19 | 1.2° | 0.3° |
| S1 | C17 | C16 | H20 | 1.1° | 0.5° |
| C17 | S1 | O6 | H18 | 120.2° | 180.0° |
| O7 | S1 | O5 | O6 | 118.0° | 122.9° |
| O7 | S1 | O6 | H18 | 117.8° | 66.4° |
| O5 | S1 | O6 | H18 | 0.0° | 66.4° |
| H10 | C28 | C29 | H12 | 38.9° | 66.8° |
| H10 | C28 | C29 | H13 | 81.2° | 173.2° |
| H11 | C28 | C29 | H12 | 79.7° | 53.2° |
| H11 | C28 | C29 | H13 | 160.1° | 66.9° |
| H14 | C30 | C33 | H16 | 138.8° | 66.0° |
| H14 | C30 | C33 | H17 | 101.4° | 174.0° |
| H15 | C30 | C33 | H16 | 18.8° | 54.0° |
| H15 | C30 | C33 | H17 | 138.5° | 66.0° |
| H16 | C33 | O34 | C31 | 20.3° | 64.5° |
| H17 | C33 | O34 | C31 | 99.4° | 55.5° |
| O34 | C31 | C32 | H32 | 90.0° | 120.0° |
| O34 | C31 | C32 | H33 | 90.0° | 120.0° |
| O34 | C31 | C32 | O16 | 90.0° | 65.0° |
| O34 | C31 | H32 | H33 | 90.0° | 120.0° |
| O34 | C31 | C32 | H34 | 90.0° | 175.0° |
| O34 | C31 | C32 | H35 | 90.0° | 55.0° |
| C31 | C32 | O16 | H34 | 90.0° | 120.0° |
| C31 | C32 | O16 | H35 | 90.0° | 120.0° |
| C31 | C32 | O16 | C35 | 90.0° | 180.0° |
| C32 | C31 | H32 | H33 | 90.0° | 120.0° |
| C31 | C32 | H34 | H35 | 90.0° | 119.9° |
| C32 | O16 | C35 | C36 | 90.0° | 179.9° |
| O16 | C32 | C31 | H32 | 90.0° | 55.1° |
| O16 | C32 | C31 | H33 | 90.0° | 175.0° |
| O16 | C32 | H34 | H35 | 90.0° | 120.0° |
| C32 | O16 | C35 | H36 | 90.0° | 60.0° |
| C32 | O16 | C35 | H37 | 90.0° | 60.0° |
| O16 | C35 | C36 | H36 | 90.0° | 120.0° |
| O16 | C35 | C36 | H37 | 90.0° | 120.0° |
| O16 | C35 | C36 | O17 | 90.0° | 65.0° |
| C35 | O16 | C32 | H34 | 90.0° | 60.0° |
| C35 | O16 | C32 | H35 | 90.0° | 60.0° |
| O16 | C35 | H36 | H37 | 90.0° | 120.0° |
| O16 | C35 | C36 | H38 | 90.0° | 175.0° |
| O16 | C35 | C36 | H39 | 90.0° | 55.0° |
| C35 | C36 | O17 | H38 | 90.0° | 120.0° |
| C35 | C36 | O17 | H39 | 90.0° | 120.0° |
| C35 | C36 | O17 | C38 | 90.0° | 180.0° |
| C36 | C35 | H36 | H37 | 90.0° | 120.0° |
| C35 | C36 | H38 | H39 | 90.0° | 119.9° |
| C36 | O17 | C38 | C39 | 90.0° | 180.0° |
| O17 | C36 | C35 | H36 | 90.0° | 55.0° |
| O17 | C36 | C35 | H37 | 90.0° | 175.0° |
| O17 | C36 | H38 | H39 | 90.0° | 120.0° |
| C36 | O17 | C38 | H40 | 90.0° | 60.0° |
| C36 | O17 | C38 | H41 | 90.0° | 60.1° |
| O17 | C38 | C39 | H40 | 90.0° | 120.0° |
| O17 | C38 | C39 | H41 | 90.0° | 120.0° |
| O17 | C38 | C39 | O18 | 90.0° | 65.0° |
| C38 | O17 | C36 | H38 | 90.0° | 60.0° |
| C38 | O17 | C36 | H39 | 90.0° | 60.0° |
| O17 | C38 | H40 | H41 | 90.0° | 120.0° |
| O17 | C38 | C39 | H42 | 90.0° | 175.0° |
| O17 | C38 | C39 | H43 | 90.0° | 55.0° |
| C38 | C39 | O18 | H42 | 90.0° | 120.0° |
| C38 | C39 | O18 | H43 | 90.0° | 120.0° |
| C38 | C39 | O18 | C41 | 90.0° | 180.0° |
| C39 | C38 | H40 | H41 | 90.0° | 120.0° |
| C38 | C39 | H42 | H43 | 90.0° | 120.0° |
| C39 | O18 | C41 | C42 | 90.0° | 180.0° |
| O18 | C39 | C38 | H40 | 90.0° | 55.0° |
| O18 | C39 | C38 | H41 | 90.0° | 175.0° |
| O18 | C39 | H42 | H43 | 90.0° | 120.0° |
| C39 | O18 | C41 | H44 | 90.0° | 60.0° |
| C39 | O18 | C41 | H45 | 90.0° | 60.0° |
| O18 | C41 | C42 | H44 | 90.0° | 120.0° |
| O18 | C41 | C42 | H45 | 90.0° | 120.0° |
| O18 | C41 | C42 | O19 | 90.0° | 65.0° |
| C41 | O18 | C39 | H42 | 90.0° | 60.0° |
| C41 | O18 | C39 | H43 | 90.0° | 60.0° |
| O18 | C41 | H44 | H45 | 90.0° | 119.9° |
| O18 | C41 | C42 | H46 | 90.0° | 175.0° |
| O18 | C41 | C42 | H47 | 90.0° | 55.0° |
| C41 | C42 | O19 | H46 | 90.0° | 120.0° |
| C41 | C42 | O19 | H47 | 90.0° | 120.0° |
| C41 | C42 | O19 | C44 | 90.0° | 180.0° |
| C42 | C41 | H44 | H45 | 90.0° | 120.0° |
| C41 | C42 | H46 | H47 | 90.0° | 120.0° |
| C42 | O19 | C44 | C45 | 90.0° | 180.0° |
| O19 | C42 | C41 | H44 | 90.0° | 55.0° |
| O19 | C42 | C41 | H45 | 90.0° | 175.0° |
| O19 | C42 | H46 | H47 | 90.0° | 120.1° |
| C42 | O19 | C44 | H48 | 90.0° | 60.0° |
| C42 | O19 | C44 | H49 | 90.0° | 60.0° |
| O19 | C44 | C45 | H48 | 90.0° | 120.0° |
| O19 | C44 | C45 | H49 | 90.0° | 120.0° |
| O19 | C44 | C45 | O20 | 90.0° | 65.0° |
| C44 | O19 | C42 | H46 | 90.0° | 60.0° |
| C44 | O19 | C42 | H47 | 90.0° | 60.0° |
| O19 | C44 | H48 | H49 | 90.0° | 120.0° |
| O19 | C44 | C45 | H50 | 90.0° | 175.0° |
| O19 | C44 | C45 | H51 | 90.0° | 55.0° |
| C44 | C45 | O20 | H50 | 90.0° | 120.0° |
| C44 | C45 | O20 | H51 | 90.0° | 120.0° |
| C44 | C45 | O20 | C47 | 90.0° | 180.0° |
| C45 | C44 | H48 | H49 | 90.0° | 120.0° |
| C44 | C45 | H50 | H51 | 90.0° | 119.9° |
| C45 | O20 | C47 | C48 | 90.0° | 180.0° |
| O20 | C45 | C44 | H48 | 90.0° | 55.0° |
| O20 | C45 | C44 | H49 | 90.0° | 175.0° |
| O20 | C45 | H50 | H51 | 90.0° | 120.0° |
| C45 | O20 | C47 | H52 | 90.0° | 60.0° |
| C45 | O20 | C47 | H53 | 90.0° | 60.1° |
| O20 | C47 | C48 | H52 | 90.0° | 120.0° |
| O20 | C47 | C48 | H53 | 90.0° | 120.0° |
| O20 | C47 | C48 | O21 | 90.0° | 65.0° |
| C47 | O20 | C45 | H50 | 90.0° | 60.0° |
| C47 | O20 | C45 | H51 | 90.0° | 60.0° |
| O20 | C47 | H52 | H53 | 90.0° | 120.0° |
| O20 | C47 | C48 | H54 | 90.0° | 174.9° |
| O20 | C47 | C48 | H55 | 90.0° | 55.0° |
| C47 | C48 | O21 | H54 | 90.0° | 120.0° |
| C47 | C48 | O21 | H55 | 90.0° | 120.0° |
| C47 | C48 | O21 | C50 | 90.0° | 180.0° |
| C48 | C47 | H52 | H53 | 90.0° | 120.0° |
| C47 | C48 | H54 | H55 | 90.0° | 120.0° |
| C48 | O21 | C50 | C51 | 90.0° | 179.9° |
| O21 | C48 | C47 | H52 | 90.0° | 55.0° |
| O21 | C48 | C47 | H53 | 90.0° | 175.1° |
| O21 | C48 | H54 | H55 | 90.0° | 120.0° |
| C48 | O21 | C50 | H56 | 90.0° | 60.0° |
| C48 | O21 | C50 | H57 | 90.0° | 60.0° |
| O21 | C50 | C51 | H56 | 90.0° | 120.0° |
| O21 | C50 | C51 | H57 | 90.0° | 120.0° |
| O21 | C50 | C51 | O22 | 90.0° | 65.0° |
| C50 | O21 | C48 | H54 | 90.0° | 60.0° |
| C50 | O21 | C48 | H55 | 90.0° | 60.0° |
| O21 | C50 | H56 | H57 | 90.0° | 120.0° |
| O21 | C50 | C51 | H58 | 90.0° | 175.0° |
| O21 | C50 | C51 | H59 | 90.0° | 55.0° |
| C50 | C51 | O22 | H58 | 90.0° | 120.0° |
| C50 | C51 | O22 | H59 | 90.0° | 119.9° |
| C50 | C51 | O22 | C53 | 90.0° | 180.0° |
| C51 | C50 | H56 | H57 | 90.0° | 120.0° |
| C50 | C51 | H58 | H59 | 90.0° | 120.0° |
| C51 | O22 | C53 | C54 | 90.0° | 180.0° |
| O22 | C51 | C50 | H56 | 90.0° | 55.0° |
| O22 | C51 | C50 | H57 | 90.0° | 175.0° |
| O22 | C51 | H58 | H59 | 90.0° | 120.0° |
| C51 | O22 | C53 | H60 | 90.0° | 60.0° |
| C51 | O22 | C53 | H61 | 90.0° | 60.1° |
| O22 | C53 | C54 | H60 | 90.0° | 120.0° |
| O22 | C53 | C54 | H61 | 90.0° | 120.0° |
| O22 | C53 | C54 | O23 | 90.0° | 65.0° |
| C53 | O22 | C51 | H58 | 90.0° | 59.9° |
| C53 | O22 | C51 | H59 | 90.0° | 60.1° |
| O22 | C53 | H60 | H61 | 90.0° | 120.0° |
| O22 | C53 | C54 | H62 | 90.0° | 175.0° |
| O22 | C53 | C54 | H63 | 90.0° | 55.0° |
| C53 | C54 | O23 | H62 | 90.0° | 120.0° |
| C53 | C54 | O23 | H63 | 90.0° | 120.0° |
| C53 | C54 | O23 | C56 | 90.0° | 180.0° |
| C54 | C53 | H60 | H61 | 90.0° | 120.0° |
| C53 | C54 | H62 | H63 | 90.0° | 120.0° |
| C54 | O23 | C56 | C57 | 90.0° | 180.0° |
| O23 | C54 | C53 | H60 | 90.0° | 55.0° |
| O23 | C54 | C53 | H61 | 90.0° | 175.0° |
| O23 | C54 | H62 | H63 | 90.0° | 120.0° |
| C54 | O23 | C56 | H64 | 90.0° | 60.0° |
| C54 | O23 | C56 | H65 | 90.0° | 60.0° |
| O23 | C56 | C57 | H64 | 90.0° | 120.0° |
| O23 | C56 | C57 | H65 | 90.0° | 120.0° |
| O23 | C56 | C57 | O24 | 90.0° | 65.0° |
| C56 | O23 | C54 | H62 | 90.0° | 60.0° |
| C56 | O23 | C54 | H63 | 90.0° | 60.0° |
| O23 | C56 | H64 | H65 | 90.0° | 120.0° |
| O23 | C56 | C57 | H66 | 90.0° | 175.1° |
| O23 | C56 | C57 | H67 | 90.0° | 55.0° |
| C56 | C57 | O24 | H66 | 90.0° | 120.0° |
| C56 | C57 | O24 | H67 | 90.0° | 120.0° |
| C56 | C57 | O24 | C59 | 90.0° | 180.0° |
| C57 | C56 | H64 | H65 | 90.0° | 120.0° |
| C56 | C57 | H66 | H67 | 90.0° | 120.0° |
| C57 | O24 | C59 | C60 | 90.0° | 180.0° |
| O24 | C57 | C56 | H64 | 90.0° | 55.0° |
| O24 | C57 | C56 | H65 | 90.0° | 175.0° |
| O24 | C57 | H66 | H67 | 90.0° | 120.0° |
| C57 | O24 | C59 | H68 | 90.0° | 60.0° |
| C57 | O24 | C59 | H69 | 90.0° | 60.0° |
| O24 | C59 | C60 | H68 | 90.0° | 120.0° |
| O24 | C59 | C60 | H69 | 90.0° | 120.0° |
| O24 | C59 | C60 | O25 | 90.0° | 65.0° |
| C59 | O24 | C57 | H66 | 90.0° | 60.0° |
| C59 | O24 | C57 | H67 | 90.0° | 60.0° |
| O24 | C59 | H68 | H69 | 90.0° | 120.0° |
| O24 | C59 | C60 | H70 | 90.0° | 175.1° |
| O24 | C59 | C60 | H71 | 90.0° | 55.0° |
| C59 | C60 | O25 | H70 | 90.0° | 119.9° |
| C59 | C60 | O25 | H71 | 90.0° | 120.0° |
| C59 | C60 | O25 | C62 | 90.0° | 180.0° |
| C60 | C59 | H68 | H69 | 90.0° | 120.0° |
| C59 | C60 | H70 | H71 | 90.0° | 120.0° |
| C60 | O25 | C62 | C63 | 90.0° | 180.0° |
| O25 | C60 | C59 | H68 | 90.0° | 55.0° |
| O25 | C60 | C59 | H69 | 90.0° | 175.0° |
| O25 | C60 | H70 | H71 | 90.0° | 120.0° |
| C60 | O25 | C62 | H72 | 90.0° | 60.0° |
| C60 | O25 | C62 | H73 | 90.0° | 60.0° |
| O25 | C62 | C63 | H72 | 90.0° | 119.9° |
| O25 | C62 | C63 | H73 | 90.0° | 120.0° |
| O25 | C62 | C63 | O26 | 90.0° | 65.0° |
| C62 | O25 | C60 | H70 | 90.0° | 60.0° |
| C62 | O25 | C60 | H71 | 90.0° | 60.0° |
| O25 | C62 | H72 | H73 | 90.0° | 120.0° |
| O25 | C62 | C63 | H74 | 90.0° | 175.0° |
| O25 | C62 | C63 | H75 | 90.0° | 55.1° |
| C62 | C63 | O26 | H74 | 90.0° | 120.0° |
| C62 | C63 | O26 | H75 | 90.0° | 120.0° |
| C62 | C63 | O26 | C65 | 90.0° | 180.0° |
| C63 | C62 | H72 | H73 | 90.0° | 120.1° |
| C62 | C63 | H74 | H75 | 90.0° | 119.9° |
| C63 | O26 | C65 | C66 | 90.0° | 180.0° |
| O26 | C63 | C62 | H72 | 90.0° | 54.9° |
| O26 | C63 | C62 | H73 | 90.0° | 175.0° |
| O26 | C63 | H74 | H75 | 90.0° | 120.0° |
| C63 | O26 | C65 | H76 | 90.0° | 60.0° |
| C63 | O26 | C65 | H77 | 90.0° | 60.0° |
| O26 | C65 | C66 | H76 | 90.0° | 119.9° |
| O26 | C65 | C66 | H77 | 90.0° | 120.0° |
| O26 | C65 | C66 | O27 | 90.0° | 65.0° |
| C65 | O26 | C63 | H74 | 90.0° | 60.0° |
| C65 | O26 | C63 | H75 | 90.0° | 60.0° |
| O26 | C65 | H76 | H77 | 90.0° | 120.0° |
| O26 | C65 | C66 | H78 | 90.0° | 175.0° |
| O26 | C65 | C66 | H79 | 90.0° | 55.0° |
| C65 | C66 | O27 | H78 | 90.0° | 120.0° |
| C65 | C66 | O27 | H79 | 90.0° | 120.1° |
| C65 | C66 | O27 | C68 | 90.0° | 180.0° |
| C66 | C65 | H76 | H77 | 90.0° | 120.1° |
| C65 | C66 | H78 | H79 | 90.0° | 120.0° |
| C66 | O27 | C68 | C69 | 90.0° | 180.0° |
| O27 | C66 | C65 | H76 | 90.0° | 54.9° |
| O27 | C66 | C65 | H77 | 90.0° | 175.0° |
| O27 | C66 | H78 | H79 | 90.0° | 120.0° |
| C66 | O27 | C68 | H80 | 90.0° | 60.0° |
| C66 | O27 | C68 | H81 | 90.0° | 60.0° |
| O27 | C68 | C69 | H80 | 90.0° | 120.0° |
| O27 | C68 | C69 | H81 | 90.0° | 120.0° |
| O27 | C68 | C69 | O28 | 90.0° | 65.0° |
| C68 | O27 | C66 | H78 | 90.0° | 60.0° |
| C68 | O27 | C66 | H79 | 90.0° | 60.0° |
| O27 | C68 | H80 | H81 | 90.0° | 120.0° |
| O27 | C68 | C69 | H82 | 90.0° | 175.0° |
| O27 | C68 | C69 | H83 | 90.0° | 55.0° |
| C68 | C69 | O28 | H82 | 90.0° | 120.0° |
| C68 | C69 | O28 | H83 | 90.0° | 119.9° |
| C68 | C69 | O28 | C71 | 90.0° | 180.0° |
| C69 | C68 | H80 | H81 | 90.0° | 120.0° |
| C68 | C69 | H82 | H83 | 90.0° | 119.9° |
| C69 | O28 | C71 | C72 | 90.0° | 180.0° |
| O28 | C69 | C68 | H80 | 90.0° | 55.0° |
| O28 | C69 | C68 | H81 | 90.0° | 175.0° |
| O28 | C69 | H82 | H83 | 90.0° | 120.1° |
| C69 | O28 | C71 | H84 | 90.0° | 59.9° |
| C69 | O28 | C71 | H85 | 90.0° | 60.0° |
| O28 | C71 | C72 | H84 | 90.0° | 120.0° |
| O28 | C71 | C72 | H85 | 90.0° | 120.0° |
| O28 | C71 | C72 | O29 | 90.0° | 65.0° |
| C71 | O28 | C69 | H82 | 90.0° | 60.0° |
| C71 | O28 | C69 | H83 | 90.0° | 60.1° |
| O28 | C71 | H84 | H85 | 90.0° | 119.9° |
| O28 | C71 | C72 | H86 | 90.0° | 175.0° |
| O28 | C71 | C72 | H87 | 90.0° | 55.0° |
| C71 | C72 | O29 | H86 | 90.0° | 120.0° |
| C71 | C72 | O29 | H87 | 90.0° | 120.0° |
| C71 | C72 | O29 | C74 | 90.0° | 180.0° |
| C72 | C71 | H84 | H85 | 90.0° | 120.0° |
| C71 | C72 | H86 | H87 | 90.0° | 120.0° |
| C72 | O29 | C74 | C75 | 90.0° | 180.0° |
| O29 | C72 | C71 | H84 | 90.0° | 55.0° |
| O29 | C72 | C71 | H85 | 90.0° | 175.0° |
| O29 | C72 | H86 | H87 | 90.0° | 120.1° |
| C72 | O29 | C74 | H88 | 90.0° | 60.0° |
| C72 | O29 | C74 | H89 | 90.0° | 60.0° |
| O29 | C74 | C75 | H88 | 90.0° | 120.0° |
| O29 | C74 | C75 | H89 | 90.0° | 120.0° |
| O29 | C74 | C75 | O31 | 90.0° | 65.0° |
| C74 | O29 | C72 | H86 | 90.0° | 60.0° |
| C74 | O29 | C72 | H87 | 90.0° | 60.0° |
| O29 | C74 | H88 | H89 | 90.0° | 120.0° |
| O29 | C74 | C75 | H90 | 90.0° | 175.0° |
| O29 | C74 | C75 | H91 | 90.0° | 55.0° |
| C74 | C75 | O31 | H90 | 90.0° | 120.0° |
| C74 | C75 | O31 | H91 | 90.0° | 120.0° |
| C75 | C74 | H88 | H89 | 90.0° | 120.0° |
| C74 | C75 | H90 | H91 | 90.0° | 120.1° |
| C74 | C75 | O31 | C76 | 90.0° | 180.0° |
| O31 | C75 | C74 | H88 | 90.0° | 55.0° |
| O31 | C75 | C74 | H89 | 90.0° | 175.0° |
| O31 | C75 | H90 | H91 | 90.0° | 120.0° |
| C75 | O31 | C76 | H93 | 90.0° | 180.0° |
| C75 | O31 | C76 | H94 | 90.0° | 60.0° |
| C75 | O31 | C76 | H95 | 90.0° | 60.0° |
| H32 | C31 | C32 | H34 | 90.0° | 65.0° |
| H32 | C31 | C32 | H35 | 90.0° | 175.1° |
| H33 | C31 | C32 | H34 | 90.0° | 54.9° |
| H33 | C31 | C32 | H35 | 90.0° | 65.0° |
| H36 | C35 | C36 | H38 | 90.0° | 65.1° |
| H36 | C35 | C36 | H39 | 90.0° | 175.0° |
| H37 | C35 | C36 | H38 | 90.0° | 54.9° |
| H37 | C35 | C36 | H39 | 90.0° | 65.0° |
| H40 | C38 | C39 | H42 | 90.0° | 65.0° |
| H40 | C38 | C39 | H43 | 90.0° | 174.9° |
| H41 | C38 | C39 | H42 | 90.0° | 55.0° |
| H41 | C38 | C39 | H43 | 90.0° | 65.0° |
| H44 | C41 | C42 | H46 | 90.0° | 65.0° |
| H44 | C41 | C42 | H47 | 90.0° | 175.0° |
| H45 | C41 | C42 | H46 | 90.0° | 55.0° |
| H45 | C41 | C42 | H47 | 90.0° | 65.0° |
| H48 | C44 | C45 | H50 | 90.0° | 65.0° |
| H48 | C44 | C45 | H51 | 90.0° | 175.0° |
| H49 | C44 | C45 | H50 | 90.0° | 55.0° |
| H49 | C44 | C45 | H51 | 90.0° | 65.0° |
| H52 | C47 | C48 | H54 | 90.0° | 65.1° |
| H52 | C47 | C48 | H55 | 90.0° | 175.0° |
| H53 | C47 | C48 | H54 | 90.0° | 55.0° |
| H53 | C47 | C48 | H55 | 90.0° | 65.0° |
| H56 | C50 | C51 | H58 | 90.0° | 65.0° |
| H56 | C50 | C51 | H59 | 90.0° | 175.0° |
| H57 | C50 | C51 | H58 | 90.0° | 55.0° |
| H57 | C50 | C51 | H59 | 90.0° | 65.0° |
| H60 | C53 | C54 | H62 | 90.0° | 65.0° |
| H60 | C53 | C54 | H63 | 90.0° | 175.0° |
| H61 | C53 | C54 | H62 | 90.0° | 55.0° |
| H61 | C53 | C54 | H63 | 90.0° | 65.0° |
| H64 | C56 | C57 | H66 | 90.0° | 64.9° |
| H64 | C56 | C57 | H67 | 90.0° | 175.0° |
| H65 | C56 | C57 | H66 | 90.0° | 55.0° |
| H65 | C56 | C57 | H67 | 90.0° | 65.0° |
| H68 | C59 | C60 | H70 | 90.0° | 64.9° |
| H68 | C59 | C60 | H71 | 90.0° | 175.0° |
| H69 | C59 | C60 | H70 | 90.0° | 55.1° |
| H69 | C59 | C60 | H71 | 90.0° | 65.0° |
| H72 | C62 | C63 | H74 | 90.0° | 65.1° |
| H72 | C62 | C63 | H75 | 90.0° | 175.0° |
| H73 | C62 | C63 | H74 | 90.0° | 55.0° |
| H73 | C62 | C63 | H75 | 90.0° | 64.9° |
| H76 | C65 | C66 | H78 | 90.0° | 65.1° |
| H76 | C65 | C66 | H79 | 90.0° | 175.0° |
| H77 | C65 | C66 | H78 | 90.0° | 55.0° |
| H77 | C65 | C66 | H79 | 90.0° | 65.0° |
| H80 | C68 | C69 | H82 | 90.0° | 65.1° |
| H80 | C68 | C69 | H83 | 90.0° | 175.0° |
| H81 | C68 | C69 | H82 | 90.0° | 54.9° |
| H81 | C68 | C69 | H83 | 90.0° | 65.0° |
| H84 | C71 | C72 | H86 | 90.0° | 65.0° |
| H84 | C71 | C72 | H87 | 90.0° | 175.0° |
| H85 | C71 | C72 | H86 | 90.0° | 55.0° |
| H85 | C71 | C72 | H87 | 90.0° | 65.0° |
| H88 | C74 | C75 | H90 | 90.0° | 64.9° |
| H88 | C74 | C75 | H91 | 90.0° | 175.0° |
| H89 | C74 | C75 | H90 | 90.0° | 55.1° |
| H89 | C74 | C75 | H91 | 90.0° | 65.0° |
| H90 | C75 | O31 | C76 | 90.0° | 60.0° |
| H91 | C75 | O31 | C76 | 90.0° | 60.0° |
| O31 | C76 | H93 | H94 | 90.0° | 120.0° |
| O31 | C76 | H93 | H95 | 90.0° | 120.0° |
| O31 | C76 | H94 | H95 | 90.0° | 120.1° |
| H93 | C76 | H94 | H95 | 90.0° | 120.0° |
