A1JL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C3 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | O6 | sing | 1.43Å | 1.42Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| O7 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | O8 | sing | 1.43Å | 1.42Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O9 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | O10 | sing | 1.43Å | 1.44Å | |
| O10 | C13 | sing | 1.43Å | 1.39Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O11 | sing | 1.43Å | 1.42Å | |
| C13 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O13 | sing | 1.43Å | 1.42Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O14 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O15 | sing | 1.43Å | 1.43Å | |
| C5 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O16 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | O17 | sing | 1.43Å | 1.44Å | |
| O17 | C21 | sing | 1.43Å | 1.39Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | O18 | sing | 1.43Å | 1.45Å | |
| O18 | C23 | sing | 1.43Å | 1.39Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O19 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | O20 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | O21 | sing | 1.43Å | 1.42Å | |
| C26 | O22 | sing | 1.43Å | 1.43Å | |
| C25 | O23 | sing | 1.43Å | 1.43Å | |
| C22 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | O24 | sing | 1.43Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | O25 | sing | 1.43Å | 1.42Å | |
| C30 | O26 | sing | 1.43Å | 1.43Å | |
| C29 | O27 | sing | 1.43Å | 1.43Å | |
| C2 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | O28 | sing | 1.43Å | 1.42Å | |
| C33 | O29 | sing | 1.43Å | 1.44Å | |
| O29 | C35 | sing | 1.43Å | 1.42Å | |
| C35 | O30 | sing | 1.43Å | 1.41Å | |
| O30 | C36 | sing | 1.43Å | 1.44Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C38 | O31 | sing | 1.43Å | 1.42Å | |
| C37 | O32 | sing | 1.43Å | 1.44Å | |
| O32 | C39 | sing | 1.43Å | 1.41Å | |
| C39 | O33 | sing | 1.43Å | 1.40Å | |
| O33 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O34 | sing | 1.61Å | 1.60Å | |
| O34 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O35 | sing | 1.61Å | 1.48Å | |
| P2 | O36 | sing | 1.61Å | 1.59Å | |
| O36 | C40 | sing | 1.43Å | 1.38Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.51Å | 1.50Å | |
| C46 | C47 | doub | 1.31Å | 1.33Å | |
| C47 | C48 | sing | 1.51Å | 1.51Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C50 | C51 | doub | 1.31Å | 1.33Å | |
| C51 | C52 | sing | 1.51Å | 1.51Å | |
| C51 | C53 | sing | 1.51Å | 1.51Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C54 | C55 | sing | 1.51Å | 1.50Å | |
| C55 | C56 | doub | 1.31Å | 1.34Å | |
| C56 | C57 | sing | 1.51Å | 1.51Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C58 | C59 | sing | 1.51Å | 1.50Å | |
| C59 | C60 | doub | 1.31Å | 1.33Å | |
| C60 | C61 | sing | 1.51Å | 1.50Å | |
| C60 | C62 | sing | 1.51Å | 1.50Å | |
| C56 | C63 | sing | 1.51Å | 1.51Å | |
| C47 | C64 | sing | 1.51Å | 1.51Å | |
| P2 | O37 | doub | 1.48Å | 1.49Å | |
| P1 | O38 | sing | 1.61Å | 1.48Å | |
| P1 | O39 | doub | 1.48Å | 1.48Å | |
| C39 | C65 | sing | 1.53Å | 1.53Å | |
| C65 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C66 | sing | 1.35Å | 1.33Å | |
| C66 | C67 | sing | 1.51Å | 1.50Å | |
| C66 | O40 | doub | 1.21Å | 1.22Å | |
| C36 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | O41 | sing | 1.43Å | 1.42Å | |
| C35 | C69 | sing | 1.53Å | 1.52Å | |
| C69 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C70 | sing | 1.35Å | 1.33Å | |
| C70 | C71 | sing | 1.51Å | 1.50Å | |
| C70 | O42 | doub | 1.21Å | 1.22Å | |
| C1 | C69 | sing | 1.53Å | 1.53Å | |
| C4 | C20 | sing | 1.53Å | 1.53Å | |
| C8 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C18 | sing | 1.53Å | 1.52Å | |
| C21 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | O20 | sing | 1.43Å | 1.43Å | |
| C65 | C68 | sing | 1.53Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| N1 | H110 | sing | 0.97Å | 1.00Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H117 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | H77 | sing | 1.09Å | 1.10Å | |
| C46 | H78 | sing | 1.08Å | 1.08Å | |
| C48 | H79 | sing | 1.09Å | 1.10Å | |
| C48 | H80 | sing | 1.09Å | 1.10Å | |
| C49 | H81 | sing | 1.09Å | 1.10Å | |
| C49 | H82 | sing | 1.09Å | 1.10Å | |
| C50 | H83 | sing | 1.08Å | 1.08Å | |
| C52 | H84 | sing | 1.09Å | 1.10Å | |
| C52 | H85 | sing | 1.09Å | 1.10Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| C53 | H87 | sing | 1.09Å | 1.10Å | |
| C53 | H88 | sing | 1.09Å | 1.10Å | |
| C54 | H89 | sing | 1.09Å | 1.10Å | |
| C54 | H90 | sing | 1.09Å | 1.10Å | |
| C55 | H91 | sing | 1.08Å | 1.08Å | |
| C57 | H92 | sing | 1.09Å | 1.10Å | |
| C57 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | H94 | sing | 1.09Å | 1.10Å | |
| C58 | H95 | sing | 1.09Å | 1.10Å | |
| C59 | H96 | sing | 1.08Å | 1.08Å | |
| C61 | H97 | sing | 1.09Å | 1.10Å | |
| C61 | H98 | sing | 1.09Å | 1.10Å | |
| C61 | H99 | sing | 1.09Å | 1.10Å | |
| C62 | H100 | sing | 1.09Å | 1.10Å | |
| C62 | H101 | sing | 1.09Å | 1.10Å | |
| C62 | H102 | sing | 1.09Å | 1.10Å | |
| C63 | H103 | sing | 1.09Å | 1.10Å | |
| C63 | H104 | sing | 1.09Å | 1.10Å | |
| C63 | H105 | sing | 1.09Å | 1.10Å | |
| C64 | H106 | sing | 1.09Å | 1.10Å | |
| C64 | H107 | sing | 1.09Å | 1.10Å | |
| C64 | H108 | sing | 1.09Å | 1.10Å | |
| C65 | H109 | sing | 1.09Å | 1.10Å | |
| C67 | H111 | sing | 1.09Å | 1.10Å | |
| C67 | H112 | sing | 1.09Å | 1.10Å | |
| C67 | H113 | sing | 1.09Å | 1.10Å | |
| C68 | H114 | sing | 1.09Å | 1.10Å | |
| C69 | H116 | sing | 1.09Å | 1.10Å | |
| C71 | H118 | sing | 1.09Å | 1.10Å | |
| C71 | H119 | sing | 1.09Å | 1.10Å | |
| C71 | H120 | sing | 1.09Å | 1.10Å | |
| O11 | H22 | sing | 0.97Å | 0.95Å | |
| O13 | H26 | sing | 0.97Å | 0.95Å | |
| O14 | H28 | sing | 0.97Å | 0.95Å | |
| O15 | H30 | sing | 0.97Å | 0.95Å | |
| O16 | H32 | sing | 0.97Å | 0.95Å | |
| O19 | H38 | sing | 0.97Å | 0.95Å | |
| O21 | H44 | sing | 0.97Å | 0.95Å | |
| O22 | H45 | sing | 0.97Å | 0.95Å | |
| O23 | H46 | sing | 0.97Å | 0.95Å | |
| O25 | H52 | sing | 0.97Å | 0.95Å | |
| O26 | H53 | sing | 0.97Å | 0.95Å | |
| O27 | H54 | sing | 0.97Å | 0.95Å | |
| O28 | H58 | sing | 0.97Å | 0.95Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O31 | H64 | sing | 0.97Å | 0.95Å | |
| O35 | H121 | sing | 0.97Å | 0.95Å | |
| O38 | H122 | sing | 0.97Å | 0.95Å | |
| O41 | H115 | sing | 0.97Å | 0.95Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 112.1° | 109.6° |
| O1 | C1 | C69 | 107.6° | 109.5° |
| O1 | C1 | H2 | 109.9° | 109.6° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | O2 | 108.7° | 109.5° |
| C1 | C2 | C33 | 107.4° | 109.2° |
| C2 | C1 | C69 | 110.3° | 109.0° |
| C2 | C1 | H2 | 108.5° | 109.6° |
| C1 | C2 | H3 | 110.3° | 109.6° |
| C2 | O2 | C3 | 121.5° | 114.0° |
| O2 | C2 | C33 | 108.4° | 109.5° |
| O2 | C2 | H3 | 111.6° | 109.5° |
| O2 | C3 | C4 | 107.7° | 109.4° |
| O2 | C3 | O4 | 111.1° | 109.5° |
| O2 | C3 | H4 | 110.2° | 109.5° |
| C3 | C4 | O3 | 109.7° | 109.5° |
| C4 | C3 | O4 | 109.7° | 109.4° |
| C3 | C4 | C20 | 110.6° | 109.2° |
| C4 | C3 | H4 | 108.4° | 109.5° |
| C3 | C4 | H5 | 108.5° | 109.5° |
| O3 | C4 | C20 | 109.8° | 109.5° |
| O3 | C4 | H5 | 109.8° | 109.5° |
| C4 | O3 | H6 | 109.5° | 114.0° |
| C3 | O4 | C5 | 113.7° | 114.1° |
| O4 | C3 | H4 | 109.7° | 109.5° |
| O4 | C5 | C6 | 107.5° | 109.5° |
| O4 | C5 | C19 | 109.8° | 109.4° |
| O4 | C5 | H7 | 109.9° | 109.4° |
| C5 | C6 | O5 | 108.3° | 109.5° |
| C6 | C5 | C19 | 112.1° | 109.5° |
| C6 | C5 | H7 | 108.9° | 109.5° |
| C5 | C6 | H8 | 109.7° | 109.4° |
| C5 | C6 | H9 | 109.8° | 109.5° |
| C6 | O5 | C7 | 115.4° | 114.0° |
| O5 | C6 | H8 | 109.8° | 109.4° |
| O5 | C6 | H9 | 109.8° | 109.5° |
| O5 | C7 | C8 | 108.4° | 109.5° |
| O5 | C7 | O7 | 104.9° | 109.5° |
| O5 | C7 | H10 | 111.9° | 109.4° |
| C7 | C8 | O6 | 110.0° | 109.5° |
| C8 | C7 | O7 | 109.8° | 109.5° |
| C7 | C8 | C12 | 111.8° | 109.2° |
| C8 | C7 | H10 | 110.0° | 109.5° |
| C7 | C8 | H11 | 107.9° | 109.6° |
| O6 | C8 | C12 | 109.8° | 109.5° |
| O6 | C8 | H11 | 109.3° | 109.5° |
| C8 | O6 | H12 | 109.5° | 114.0° |
| C7 | O7 | C9 | 111.4° | 114.1° |
| O7 | C7 | H10 | 111.7° | 109.5° |
| O7 | C9 | C10 | 106.2° | 109.5° |
| O7 | C9 | C11 | 108.7° | 109.4° |
| O7 | C9 | H13 | 110.1° | 109.4° |
| C9 | C10 | O8 | 110.2° | 109.5° |
| C10 | C9 | C11 | 113.8° | 109.5° |
| C10 | C9 | H13 | 109.1° | 109.5° |
| C9 | C10 | H14 | 109.3° | 109.4° |
| C9 | C10 | H15 | 109.3° | 109.5° |
| O8 | C10 | H14 | 109.3° | 109.5° |
| O8 | C10 | H15 | 109.3° | 109.5° |
| C10 | O8 | H16 | 109.5° | 114.0° |
| C9 | C11 | O9 | 107.6° | 109.5° |
| C9 | C11 | C12 | 110.8° | 109.2° |
| C11 | C9 | H13 | 108.9° | 109.5° |
| C9 | C11 | H17 | 108.8° | 109.6° |
| O9 | C11 | C12 | 110.6° | 109.5° |
| O9 | C11 | H17 | 110.2° | 109.5° |
| C11 | O9 | H18 | 109.5° | 114.0° |
| C11 | C12 | O10 | 107.9° | 109.5° |
| C11 | C12 | C8 | 113.0° | 109.0° |
| C12 | C11 | H17 | 108.8° | 109.6° |
| C11 | C12 | H19 | 109.4° | 109.6° |
| C12 | O10 | C13 | 115.8° | 114.0° |
| O10 | C12 | C8 | 106.3° | 109.5° |
| O10 | C12 | H19 | 110.7° | 109.5° |
| O10 | C13 | C14 | 110.1° | 109.4° |
| O10 | C13 | O12 | 108.4° | 109.5° |
| O10 | C13 | H20 | 110.3° | 109.5° |
| C13 | C14 | O11 | 109.6° | 109.5° |
| C14 | C13 | O12 | 109.7° | 109.4° |
| C13 | C14 | C18 | 110.8° | 109.2° |
| C13 | C14 | H21 | 108.2° | 109.6° |
| C14 | C13 | H20 | 108.5° | 109.5° |
| O11 | C14 | C18 | 110.6° | 109.5° |
| O11 | C14 | H21 | 109.5° | 109.5° |
| C14 | O11 | H22 | 109.5° | 114.0° |
| C13 | O12 | C15 | 111.9° | 114.1° |
| O12 | C13 | H20 | 109.8° | 109.5° |
| O12 | C15 | C16 | 107.2° | 109.4° |
| O12 | C15 | C17 | 110.4° | 109.4° |
| O12 | C15 | H23 | 109.7° | 109.5° |
| C15 | C16 | O13 | 110.7° | 109.5° |
| C16 | C15 | C17 | 112.3° | 109.5° |
| C16 | C15 | H23 | 108.7° | 109.5° |
| C15 | C16 | H24 | 109.2° | 109.4° |
| C15 | C16 | H25 | 109.2° | 109.4° |
| O13 | C16 | H24 | 109.2° | 109.5° |
| O13 | C16 | H25 | 109.2° | 109.5° |
| C16 | O13 | H26 | 109.5° | 114.0° |
| C15 | C17 | O14 | 108.9° | 109.5° |
| C15 | C17 | C18 | 111.9° | 109.1° |
| C17 | C15 | H23 | 108.5° | 109.5° |
| C15 | C17 | H27 | 108.3° | 109.5° |
| O14 | C17 | C18 | 109.6° | 109.5° |
| O14 | C17 | H27 | 109.7° | 109.6° |
| C17 | O14 | H28 | 109.5° | 114.0° |
| C17 | C18 | O15 | 110.1° | 109.5° |
| C17 | C18 | C14 | 112.2° | 109.0° |
| C17 | C18 | H29 | 108.1° | 109.7° |
| C18 | C17 | H27 | 108.5° | 109.6° |
| O15 | C18 | C14 | 109.1° | 109.5° |
| O15 | C18 | H29 | 109.3° | 109.5° |
| C18 | O15 | H30 | 109.5° | 114.0° |
| C5 | C19 | O16 | 109.5° | 109.5° |
| C5 | C19 | C20 | 111.1° | 109.2° |
| C5 | C19 | H31 | 108.5° | 109.5° |
| C19 | C5 | H7 | 108.7° | 109.5° |
| O16 | C19 | C20 | 109.3° | 109.5° |
| O16 | C19 | H31 | 109.9° | 109.5° |
| C19 | O16 | H32 | 109.5° | 114.0° |
| C19 | C20 | O17 | 107.1° | 109.6° |
| C19 | C20 | C4 | 109.6° | 109.0° |
| C20 | C19 | H31 | 108.6° | 109.6° |
| C19 | C20 | H33 | 109.9° | 109.6° |
| C20 | O17 | C21 | 120.8° | 114.0° |
| O17 | C20 | C4 | 109.0° | 109.5° |
| O17 | C20 | H33 | 111.2° | 109.6° |
| O17 | C21 | C22 | 105.6° | 109.5° |
| O17 | C21 | O24 | 117.0° | 109.5° |
| O17 | C21 | H34 | 108.1° | 109.5° |
| C21 | C22 | O18 | 104.8° | 109.5° |
| C21 | C22 | C29 | 109.2° | 109.2° |
| C22 | C21 | O24 | 111.6° | 109.4° |
| C22 | C21 | H34 | 106.3° | 109.5° |
| C21 | C22 | H35 | 109.3° | 109.5° |
| C22 | O18 | C23 | 117.2° | 114.0° |
| O18 | C22 | C29 | 113.4° | 109.5° |
| O18 | C22 | H35 | 110.5° | 109.6° |
| O18 | C23 | C24 | 110.4° | 109.5° |
| O18 | C23 | O20 | 111.2° | 109.5° |
| O18 | C23 | H36 | 109.1° | 109.5° |
| C23 | C24 | O19 | 109.7° | 109.5° |
| C23 | C24 | C25 | 111.3° | 109.2° |
| C24 | C23 | O20 | 110.0° | 109.4° |
| C24 | C23 | H36 | 107.4° | 109.5° |
| C23 | C24 | H37 | 107.9° | 109.5° |
| O19 | C24 | C25 | 110.6° | 109.6° |
| O19 | C24 | H37 | 109.2° | 109.5° |
| C24 | O19 | H38 | 109.5° | 114.1° |
| C24 | C25 | C26 | 112.6° | 109.0° |
| C24 | C25 | O23 | 109.1° | 109.5° |
| C25 | C24 | H37 | 108.0° | 109.6° |
| C24 | C25 | H39 | 107.9° | 109.6° |
| C25 | C26 | C27 | 111.3° | 109.2° |
| C25 | C26 | O22 | 109.8° | 109.5° |
| C26 | C25 | O23 | 109.9° | 109.6° |
| C26 | C25 | H39 | 107.9° | 109.5° |
| C25 | C26 | H40 | 108.5° | 109.5° |
| C26 | C27 | O20 | 109.8° | 109.4° |
| C26 | C27 | C28 | 113.3° | 109.4° |
| C27 | C26 | O22 | 109.1° | 109.5° |
| C27 | C26 | H40 | 108.4° | 109.6° |
| C26 | C27 | H41 | 108.5° | 109.5° |
| O20 | C27 | C28 | 107.0° | 109.5° |
| C27 | O20 | C23 | 113.3° | 114.1° |
| O20 | C27 | H41 | 109.6° | 109.5° |
| C27 | C28 | O21 | 111.2° | 109.4° |
| C28 | C27 | H41 | 108.6° | 109.5° |
| C27 | C28 | H42 | 109.1° | 109.5° |
| C27 | C28 | H43 | 109.0° | 109.5° |
| O21 | C28 | H42 | 109.1° | 109.5° |
| O21 | C28 | H43 | 109.1° | 109.4° |
| C28 | O21 | H44 | 109.5° | 114.0° |
| O22 | C26 | H40 | 109.8° | 109.6° |
| C26 | O22 | H45 | 109.5° | 114.0° |
| O23 | C25 | H39 | 109.2° | 109.6° |
| C25 | O23 | H46 | 109.5° | 114.0° |
| C22 | C29 | C30 | 111.1° | 109.0° |
| C22 | C29 | O27 | 113.0° | 109.5° |
| C29 | C22 | H35 | 109.4° | 109.6° |
| C22 | C29 | H47 | 106.7° | 109.5° |
| C29 | C30 | C31 | 110.2° | 109.2° |
| C29 | C30 | O26 | 110.1° | 109.5° |
| C30 | C29 | O27 | 111.2° | 109.6° |
| C30 | C29 | H47 | 106.7° | 109.6° |
| C29 | C30 | H48 | 108.6° | 109.5° |
| C30 | C31 | O24 | 111.4° | 109.4° |
| C30 | C31 | C32 | 112.6° | 109.5° |
| C31 | C30 | O26 | 109.4° | 109.5° |
| C31 | C30 | H48 | 108.5° | 109.5° |
| C30 | C31 | H49 | 108.3° | 109.5° |
| O24 | C31 | C32 | 106.6° | 109.5° |
| C31 | O24 | C21 | 115.4° | 114.1° |
| O24 | C31 | H49 | 109.5° | 109.5° |
| C31 | C32 | O25 | 111.3° | 109.5° |
| C32 | C31 | H49 | 108.5° | 109.5° |
| C31 | C32 | H50 | 109.0° | 109.5° |
| C31 | C32 | H51 | 109.0° | 109.5° |
| O25 | C32 | H50 | 109.0° | 109.5° |
| O25 | C32 | H51 | 109.0° | 109.5° |
| C32 | O25 | H52 | 109.5° | 114.0° |
| O26 | C30 | H48 | 109.9° | 109.6° |
| C30 | O26 | H53 | 109.5° | 114.0° |
| O27 | C29 | H47 | 107.8° | 109.6° |
| C29 | O27 | H54 | 109.5° | 114.0° |
| C2 | C33 | C34 | 113.0° | 109.5° |
| C2 | C33 | O29 | 109.6° | 109.4° |
| C33 | C2 | H3 | 110.3° | 109.6° |
| C2 | C33 | H55 | 108.7° | 109.5° |
| C33 | C34 | O28 | 111.3° | 109.5° |
| C34 | C33 | O29 | 106.7° | 109.5° |
| C34 | C33 | H55 | 108.9° | 109.5° |
| C33 | C34 | H56 | 109.0° | 109.5° |
| C33 | C34 | H57 | 109.0° | 109.5° |
| O28 | C34 | H56 | 109.0° | 109.5° |
| O28 | C34 | H57 | 109.0° | 109.4° |
| C34 | O28 | H58 | 109.5° | 114.0° |
| C33 | O29 | C35 | 114.4° | 114.1° |
| O29 | C33 | H55 | 109.9° | 109.5° |
| O29 | C35 | O30 | 113.1° | 109.5° |
| O29 | C35 | C69 | 109.8° | 109.4° |
| O29 | C35 | H59 | 109.2° | 109.4° |
| C35 | O30 | C36 | 125.1° | 114.0° |
| O30 | C35 | C69 | 107.3° | 109.5° |
| O30 | C35 | H59 | 109.5° | 109.5° |
| O30 | C36 | C37 | 105.4° | 109.5° |
| O30 | C36 | C68 | 112.9° | 109.5° |
| O30 | C36 | H60 | 110.6° | 109.6° |
| C36 | C37 | C38 | 112.8° | 109.5° |
| C36 | C37 | O32 | 110.7° | 109.4° |
| C37 | C36 | C68 | 109.1° | 109.2° |
| C37 | C36 | H60 | 109.3° | 109.5° |
| C36 | C37 | H61 | 108.3° | 109.4° |
| C37 | C38 | O31 | 111.6° | 109.5° |
| C38 | C37 | O32 | 107.0° | 109.5° |
| C38 | C37 | H61 | 108.5° | 109.5° |
| C37 | C38 | H62 | 108.9° | 109.5° |
| C37 | C38 | H63 | 108.9° | 109.5° |
| O31 | C38 | H62 | 109.0° | 109.4° |
| O31 | C38 | H63 | 109.0° | 109.5° |
| C38 | O31 | H64 | 109.5° | 114.0° |
| C37 | O32 | C39 | 113.8° | 114.1° |
| O32 | C37 | H61 | 109.5° | 109.5° |
| O32 | C39 | O33 | 109.3° | 109.5° |
| O32 | C39 | C65 | 107.4° | 109.4° |
| O32 | C39 | H65 | 110.9° | 109.4° |
| C39 | O33 | P1 | 124.6° | 123.0° |
| O33 | C39 | C65 | 108.9° | 109.5° |
| O33 | C39 | H65 | 111.0° | 109.5° |
| O33 | P1 | O34 | 105.6° | 109.5° |
| O33 | P1 | O38 | 109.4° | 109.4° |
| O33 | P1 | O39 | 108.0° | 109.5° |
| P1 | O34 | P2 | 131.6° | 134.0° |
| O34 | P1 | O38 | 109.5° | 109.5° |
| O34 | P1 | O39 | 107.5° | 109.5° |
| O34 | P2 | O35 | 109.5° | 109.5° |
| O34 | P2 | O36 | 103.7° | 109.5° |
| O34 | P2 | O37 | 108.3° | 109.5° |
| O35 | P2 | O36 | 109.6° | 109.5° |
| O35 | P2 | O37 | 117.7° | 109.4° |
| P2 | O35 | H121 | 109.5° | 114.0° |
| P2 | O36 | C40 | 122.1° | 123.0° |
| O36 | P2 | O37 | 107.0° | 109.4° |
| O36 | C40 | C41 | 109.0° | 109.5° |
| O36 | C40 | H66 | 109.6° | 109.5° |
| O36 | C40 | H67 | 109.6° | 109.5° |
| C40 | C41 | C42 | 117.1° | 109.4° |
| C41 | C40 | H66 | 109.6° | 109.5° |
| C41 | C40 | H67 | 109.6° | 109.5° |
| C40 | C41 | H68 | 107.5° | 109.5° |
| C40 | C41 | H69 | 107.5° | 109.4° |
| C41 | C42 | C43 | 110.6° | 109.5° |
| C41 | C42 | C44 | 112.7° | 109.4° |
| C42 | C41 | H68 | 107.5° | 109.5° |
| C42 | C41 | H69 | 107.6° | 109.5° |
| C41 | C42 | H70 | 107.4° | 109.5° |
| C43 | C42 | C44 | 111.3° | 109.5° |
| C43 | C42 | H70 | 107.3° | 109.5° |
| C42 | C43 | H71 | 109.5° | 109.4° |
| C42 | C43 | H72 | 109.5° | 109.5° |
| C42 | C43 | H73 | 109.5° | 109.4° |
| C42 | C44 | C45 | 114.3° | 109.4° |
| C44 | C42 | H70 | 107.2° | 109.4° |
| C42 | C44 | H74 | 108.2° | 109.5° |
| C42 | C44 | H75 | 108.3° | 109.5° |
| C44 | C45 | C46 | 112.2° | 109.4° |
| C45 | C44 | H74 | 108.2° | 109.5° |
| C45 | C44 | H75 | 108.2° | 109.4° |
| C44 | C45 | H76 | 108.8° | 109.5° |
| C44 | C45 | H77 | 108.8° | 109.5° |
| C45 | C46 | C47 | 128.7° | 120.0° |
| C46 | C45 | H76 | 108.8° | 109.5° |
| C46 | C45 | H77 | 108.8° | 109.5° |
| C45 | C46 | H78 | 115.7° | 120.0° |
| C46 | C47 | C48 | 121.5° | 120.0° |
| C46 | C47 | C64 | 123.6° | 120.0° |
| C47 | C46 | H78 | 115.6° | 120.0° |
| C47 | C48 | C49 | 112.2° | 109.5° |
| C48 | C47 | C64 | 114.8° | 120.0° |
| C47 | C48 | H79 | 108.8° | 109.4° |
| C47 | C48 | H80 | 108.8° | 109.4° |
| C48 | C49 | C50 | 114.3° | 109.4° |
| C49 | C48 | H79 | 108.8° | 109.5° |
| C49 | C48 | H80 | 108.8° | 109.5° |
| C48 | C49 | H81 | 108.2° | 109.4° |
| C48 | C49 | H82 | 108.2° | 109.5° |
| C49 | C50 | C51 | 127.9° | 120.0° |
| C50 | C49 | H81 | 108.2° | 109.5° |
| C50 | C49 | H82 | 108.2° | 109.5° |
| C49 | C50 | H83 | 116.1° | 120.0° |
| C50 | C51 | C52 | 123.7° | 120.0° |
| C50 | C51 | C53 | 121.3° | 120.0° |
| C51 | C50 | H83 | 116.0° | 120.0° |
| C52 | C51 | C53 | 115.0° | 120.0° |
| C51 | C52 | H84 | 109.5° | 109.5° |
| C51 | C52 | H85 | 109.5° | 109.5° |
| C51 | C52 | H86 | 109.5° | 109.5° |
| C51 | C53 | C54 | 113.9° | 109.5° |
| C51 | C53 | H87 | 108.3° | 109.5° |
| C51 | C53 | H88 | 108.3° | 109.5° |
| C53 | C54 | C55 | 113.5° | 109.5° |
| C54 | C53 | H87 | 108.3° | 109.5° |
| C54 | C53 | H88 | 108.4° | 109.4° |
| C53 | C54 | H89 | 108.5° | 109.5° |
| C53 | C54 | H90 | 108.5° | 109.5° |
| C54 | C55 | C56 | 128.8° | 120.0° |
| C55 | C54 | H89 | 108.4° | 109.4° |
| C55 | C54 | H90 | 108.5° | 109.4° |
| C54 | C55 | H91 | 115.6° | 120.0° |
| C55 | C56 | C57 | 120.5° | 120.0° |
| C55 | C56 | C63 | 124.0° | 120.0° |
| C56 | C55 | H91 | 115.6° | 120.0° |
| C56 | C57 | C58 | 117.5° | 109.4° |
| C57 | C56 | C63 | 115.4° | 120.0° |
| C56 | C57 | H92 | 107.4° | 109.5° |
| C56 | C57 | H93 | 107.4° | 109.5° |
| C57 | C58 | C59 | 113.6° | 109.4° |
| C58 | C57 | H92 | 107.4° | 109.4° |
| C58 | C57 | H93 | 107.4° | 109.5° |
| C57 | C58 | H94 | 108.4° | 109.4° |
| C57 | C58 | H95 | 108.4° | 109.5° |
| C58 | C59 | C60 | 128.0° | 120.0° |
| C59 | C58 | H94 | 108.4° | 109.5° |
| C59 | C58 | H95 | 108.4° | 109.5° |
| C58 | C59 | H96 | 116.0° | 120.0° |
| C59 | C60 | C61 | 122.9° | 120.0° |
| C59 | C60 | C62 | 122.5° | 120.0° |
| C60 | C59 | H96 | 116.0° | 120.0° |
| C61 | C60 | C62 | 114.6° | 120.0° |
| C60 | C61 | H97 | 109.5° | 109.5° |
| C60 | C61 | H98 | 109.4° | 109.4° |
| C60 | C61 | H99 | 109.5° | 109.5° |
| C60 | C62 | H100 | 109.5° | 109.5° |
| C60 | C62 | H101 | 109.5° | 109.4° |
| C60 | C62 | H102 | 109.5° | 109.5° |
| C56 | C63 | H103 | 109.5° | 109.5° |
| C56 | C63 | H104 | 109.5° | 109.4° |
| C56 | C63 | H105 | 109.5° | 109.5° |
| C47 | C64 | H106 | 109.5° | 109.5° |
| C47 | C64 | H107 | 109.5° | 109.5° |
| C47 | C64 | H108 | 109.5° | 109.4° |
| O38 | P1 | O39 | 116.3° | 109.5° |
| P1 | O38 | H122 | 109.5° | 114.0° |
| C39 | C65 | N1 | 111.1° | 109.5° |
| C39 | C65 | C68 | 108.9° | 109.2° |
| C65 | C39 | H65 | 109.3° | 109.5° |
| C39 | C65 | H109 | 108.0° | 109.5° |
| C65 | N1 | C66 | 122.3° | 120.0° |
| N1 | C65 | C68 | 111.8° | 109.5° |
| C65 | N1 | H110 | 118.8° | 120.0° |
| N1 | C65 | H109 | 108.9° | 109.6° |
| N1 | C66 | C67 | 116.0° | 120.0° |
| N1 | C66 | O40 | 122.2° | 120.0° |
| C66 | N1 | H110 | 118.9° | 120.0° |
| C67 | C66 | O40 | 121.8° | 120.0° |
| C66 | C67 | H111 | 109.5° | 109.4° |
| C66 | C67 | H112 | 109.5° | 109.4° |
| C66 | C67 | H113 | 109.4° | 109.5° |
| C36 | C68 | O41 | 110.9° | 109.5° |
| C36 | C68 | C65 | 109.5° | 109.1° |
| C68 | C36 | H60 | 109.4° | 109.5° |
| C36 | C68 | H114 | 108.8° | 109.5° |
| O41 | C68 | C65 | 108.7° | 109.6° |
| O41 | C68 | H114 | 110.2° | 109.6° |
| C68 | O41 | H115 | 109.5° | 114.0° |
| C35 | C69 | N2 | 111.0° | 109.5° |
| C35 | C69 | C1 | 108.8° | 109.2° |
| C69 | C35 | H59 | 107.9° | 109.5° |
| C35 | C69 | H116 | 108.5° | 109.5° |
| C69 | N2 | C70 | 122.5° | 120.0° |
| N2 | C69 | C1 | 110.9° | 109.6° |
| C69 | N2 | H117 | 118.7° | 119.9° |
| N2 | C69 | H116 | 109.2° | 109.5° |
| N2 | C70 | C71 | 115.9° | 120.0° |
| N2 | C70 | O42 | 122.3° | 120.0° |
| C70 | N2 | H117 | 118.7° | 120.1° |
| C71 | C70 | O42 | 121.9° | 120.0° |
| C70 | C71 | H118 | 109.5° | 109.5° |
| C70 | C71 | H119 | 109.4° | 109.5° |
| C70 | C71 | H120 | 109.5° | 109.5° |
| C69 | C1 | H2 | 108.4° | 109.6° |
| C1 | C69 | H116 | 108.4° | 109.5° |
| C4 | C20 | H33 | 109.9° | 109.6° |
| C20 | C4 | H5 | 108.4° | 109.5° |
| C8 | C12 | H19 | 109.4° | 109.6° |
| C12 | C8 | H11 | 107.9° | 109.6° |
| C18 | C14 | H21 | 108.2° | 109.5° |
| C14 | C18 | H29 | 108.1° | 109.5° |
| O24 | C21 | H34 | 107.7° | 109.5° |
| O20 | C23 | H36 | 108.7° | 109.5° |
| C68 | C65 | H109 | 108.1° | 109.5° |
| C65 | C68 | H114 | 108.8° | 109.5° |
| H14 | C10 | H15 | 109.4° | 109.5° |
| H24 | C16 | H25 | 109.4° | 109.5° |
| H42 | C28 | H43 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H50 | C32 | H51 | 109.4° | 109.4° |
| H56 | C34 | H57 | 109.5° | 109.4° |
| H62 | C38 | H63 | 109.4° | 109.5° |
| H66 | C40 | H67 | 109.4° | 109.4° |
| H68 | C41 | H69 | 109.5° | 109.5° |
| H71 | C43 | H72 | 109.5° | 109.5° |
| H71 | C43 | H73 | 109.4° | 109.5° |
| H72 | C43 | H73 | 109.5° | 109.5° |
| H74 | C44 | H75 | 109.5° | 109.5° |
| H76 | C45 | H77 | 109.5° | 109.5° |
| H79 | C48 | H80 | 109.5° | 109.5° |
| H81 | C49 | H82 | 109.5° | 109.5° |
| H84 | C52 | H85 | 109.5° | 109.5° |
| H84 | C52 | H86 | 109.5° | 109.5° |
| H85 | C52 | H86 | 109.5° | 109.4° |
| H87 | C53 | H88 | 109.5° | 109.4° |
| H89 | C54 | H90 | 109.5° | 109.5° |
| H92 | C57 | H93 | 109.5° | 109.5° |
| H94 | C58 | H95 | 109.5° | 109.5° |
| H97 | C61 | H98 | 109.5° | 109.4° |
| H97 | C61 | H99 | 109.4° | 109.5° |
| H98 | C61 | H99 | 109.5° | 109.5° |
| H100 | C62 | H101 | 109.4° | 109.5° |
| H100 | C62 | H102 | 109.5° | 109.5° |
| H101 | C62 | H102 | 109.5° | 109.5° |
| H103 | C63 | H104 | 109.4° | 109.5° |
| H103 | C63 | H105 | 109.5° | 109.5° |
| H104 | C63 | H105 | 109.5° | 109.5° |
| H106 | C64 | H107 | 109.5° | 109.5° |
| H106 | C64 | H108 | 109.4° | 109.5° |
| H107 | C64 | H108 | 109.5° | 109.4° |
| H111 | C67 | H112 | 109.4° | 109.5° |
| H111 | C67 | H113 | 109.5° | 109.5° |
| H112 | C67 | H113 | 109.5° | 109.5° |
| H118 | C71 | H119 | 109.5° | 109.4° |
| H118 | C71 | H120 | 109.5° | 109.5° |
| H119 | C71 | H120 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C69 | 120.0° | 119.8° |
| O1 | C1 | C2 | H2 | 121.5° | 120.2° |
| O1 | C1 | C2 | O2 | 64.5° | 63.2° |
| O1 | C1 | C2 | C33 | 178.4° | 176.8° |
| O1 | C1 | C69 | C35 | 179.6° | 176.9° |
| O1 | C1 | C69 | N2 | 57.2° | 63.2° |
| O1 | C1 | C69 | H2 | 118.8° | 120.2° |
| O1 | C1 | C2 | H3 | 58.2° | 56.8° |
| O1 | C1 | C69 | H116 | 62.7° | 56.9° |
| C1 | C2 | O2 | C33 | 116.4° | 119.7° |
| C1 | C2 | O2 | H3 | 121.9° | 120.1° |
| C1 | C2 | O2 | C3 | 81.8° | 139.6° |
| C1 | C2 | C33 | H3 | 120.3° | 120.0° |
| C1 | C2 | C33 | C34 | 177.1° | 177.6° |
| C1 | C2 | C33 | O29 | 58.2° | 57.6° |
| C2 | C1 | C69 | C35 | 57.8° | 57.0° |
| C2 | C1 | C69 | N2 | 179.8° | 176.9° |
| C2 | C1 | C69 | H2 | 118.6° | 119.9° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| C1 | C2 | C33 | H55 | 61.9° | 62.4° |
| C2 | C1 | C69 | H116 | 60.0° | 62.9° |
| C2 | O2 | C3 | C4 | 74.8° | 167.7° |
| C2 | O2 | C3 | O4 | 165.0° | 72.4° |
| O2 | C2 | C33 | H3 | 122.4° | 120.1° |
| O2 | C2 | C33 | C34 | 65.6° | 62.5° |
| O2 | C2 | C33 | O29 | 175.5° | 177.5° |
| O2 | C2 | C1 | C69 | 175.6° | 176.9° |
| O2 | C2 | C1 | H2 | 57.0° | 57.0° |
| C2 | O2 | C3 | H4 | 43.2° | 47.7° |
| O2 | C2 | C33 | H55 | 55.4° | 57.6° |
| O2 | C3 | C4 | O4 | 121.0° | 120.0° |
| O2 | C3 | C4 | H4 | 119.2° | 120.0° |
| O2 | C3 | C4 | O3 | 56.8° | 57.7° |
| O2 | C3 | O4 | H4 | 122.1° | 120.1° |
| O2 | C3 | O4 | C5 | 179.8° | 178.9° |
| C3 | O2 | C2 | C33 | 161.8° | 100.6° |
| O2 | C3 | C4 | C20 | 178.1° | 177.6° |
| O2 | C3 | C4 | H5 | 63.1° | 62.5° |
| C3 | O2 | C2 | H3 | 40.2° | 19.5° |
| C3 | C4 | O3 | C20 | 121.8° | 119.7° |
| C3 | C4 | O3 | H5 | 119.1° | 120.1° |
| C4 | C3 | O4 | H4 | 119.0° | 120.0° |
| C4 | C3 | O4 | C5 | 61.3° | 61.1° |
| C3 | C4 | C20 | C19 | 53.7° | 57.0° |
| C3 | C4 | C20 | O17 | 170.6° | 176.9° |
| C3 | C4 | C20 | H5 | 118.8° | 119.9° |
| C3 | C4 | C20 | H33 | 67.2° | 62.9° |
| C3 | C4 | O3 | H6 | 180.0° | 60.0° |
| O3 | C4 | C3 | O4 | 64.2° | 62.3° |
| O3 | C4 | C20 | C19 | 67.5° | 62.9° |
| O3 | C4 | C20 | O17 | 49.4° | 56.9° |
| O3 | C4 | C20 | H5 | 120.0° | 120.2° |
| O3 | C4 | C20 | H33 | 171.6° | 177.2° |
| O3 | C4 | C3 | H4 | 176.0° | 177.7° |
| C3 | O4 | C5 | C6 | 177.6° | 178.8° |
| C3 | O4 | C5 | C19 | 60.2° | 61.1° |
| O4 | C3 | C4 | C20 | 57.1° | 57.6° |
| C3 | O4 | C5 | H7 | 59.3° | 58.9° |
| O4 | C3 | C4 | H5 | 175.9° | 177.6° |
| O4 | C5 | C6 | C19 | 120.8° | 120.0° |
| O4 | C5 | C6 | H7 | 119.0° | 120.0° |
| O4 | C5 | C6 | O5 | 66.0° | 65.1° |
| O4 | C5 | C19 | H7 | 120.2° | 120.0° |
| O4 | C5 | C19 | O16 | 175.9° | 177.5° |
| O4 | C5 | C19 | C20 | 55.0° | 57.6° |
| O4 | C5 | C19 | H31 | 64.2° | 62.4° |
| C5 | O4 | C3 | H4 | 57.7° | 58.9° |
| O4 | C5 | C6 | H8 | 53.8° | 175.0° |
| O4 | C5 | C6 | H9 | 174.2° | 55.0° |
| C5 | C6 | O5 | H8 | 119.8° | 119.9° |
| C5 | C6 | O5 | H9 | 119.8° | 120.1° |
| C5 | C6 | O5 | C7 | 121.0° | 180.0° |
| C6 | C5 | C19 | H7 | 120.4° | 120.0° |
| C6 | C5 | C19 | O16 | 64.7° | 62.5° |
| C6 | C5 | C19 | C20 | 174.5° | 177.6° |
| C6 | C5 | C19 | H31 | 55.2° | 57.6° |
| C5 | C6 | H8 | H9 | 120.6° | 120.0° |
| C6 | O5 | C7 | C8 | 90.6° | 170.0° |
| C6 | O5 | C7 | O7 | 152.2° | 70.0° |
| O5 | C6 | C5 | C19 | 54.8° | 175.0° |
| C6 | O5 | C7 | H10 | 31.0° | 50.0° |
| O5 | C6 | C5 | H7 | 175.0° | 54.9° |
| O5 | C6 | H8 | H9 | 120.5° | 120.0° |
| O5 | C7 | C8 | O7 | 114.0° | 120.0° |
| O5 | C7 | C8 | H10 | 122.7° | 120.0° |
| O5 | C7 | C8 | O6 | 175.9° | 177.7° |
| O5 | C7 | O7 | H10 | 121.4° | 120.0° |
| O5 | C7 | O7 | C9 | 50.4° | 58.9° |
| O5 | C7 | C8 | C12 | 61.8° | 62.4° |
| O5 | C7 | C8 | H11 | 56.8° | 57.6° |
| C7 | O5 | C6 | H8 | 119.2° | 60.1° |
| C7 | O5 | C6 | H9 | 1.1° | 59.9° |
| C7 | C8 | O6 | C12 | 123.5° | 119.7° |
| C7 | C8 | O6 | H11 | 118.3° | 120.2° |
| C8 | C7 | O7 | H10 | 122.3° | 120.0° |
| C8 | C7 | O7 | C9 | 65.9° | 61.1° |
| C7 | C8 | C12 | C11 | 43.5° | 57.0° |
| C7 | C8 | C12 | O10 | 161.7° | 176.8° |
| C7 | C8 | C12 | H11 | 118.5° | 120.0° |
| C7 | C8 | C12 | H19 | 78.7° | 63.0° |
| C7 | C8 | O6 | H12 | 180.0° | 60.0° |
| O6 | C8 | C7 | O7 | 70.1° | 62.3° |
| O6 | C8 | C12 | C11 | 78.9° | 62.9° |
| O6 | C8 | C12 | O10 | 39.3° | 56.9° |
| O6 | C8 | C12 | H11 | 119.1° | 120.1° |
| O6 | C8 | C7 | H10 | 53.2° | 57.8° |
| O6 | C8 | C12 | H19 | 158.9° | 177.1° |
| C7 | O7 | C9 | C10 | 169.3° | 178.9° |
| C7 | O7 | C9 | C11 | 67.9° | 61.1° |
| O7 | C7 | C8 | C12 | 52.2° | 57.6° |
| C7 | O7 | C9 | H13 | 51.3° | 58.8° |
| O7 | C7 | C8 | H11 | 170.8° | 177.6° |
| O7 | C9 | C10 | C11 | 119.5° | 119.9° |
| O7 | C9 | C10 | H13 | 118.6° | 120.0° |
| O7 | C9 | C10 | O8 | 54.5° | 65.1° |
| O7 | C9 | C11 | H13 | 120.0° | 119.9° |
| O7 | C9 | C11 | O9 | 176.9° | 177.5° |
| O7 | C9 | C11 | C12 | 55.9° | 57.6° |
| C9 | O7 | C7 | H10 | 171.8° | 178.8° |
| O7 | C9 | C10 | H14 | 65.7° | 175.0° |
| O7 | C9 | C10 | H15 | 174.6° | 55.0° |
| O7 | C9 | C11 | H17 | 63.7° | 62.4° |
| C9 | C10 | O8 | H14 | 120.1° | 119.9° |
| C9 | C10 | O8 | H15 | 120.1° | 120.0° |
| C10 | C9 | C11 | H13 | 121.9° | 120.1° |
| C10 | C9 | C11 | O9 | 65.0° | 62.5° |
| C10 | C9 | C11 | C12 | 174.0° | 177.6° |
| C9 | C10 | H14 | H15 | 119.6° | 119.9° |
| C10 | C9 | C11 | H17 | 54.4° | 57.6° |
| C9 | C10 | O8 | H16 | 180.0° | 180.0° |
| O8 | C10 | C9 | C11 | 65.0° | 175.0° |
| O8 | C10 | C9 | H13 | 173.1° | 54.9° |
| O8 | C10 | H14 | H15 | 119.7° | 120.1° |
| C9 | C11 | O9 | C12 | 121.1° | 119.7° |
| C9 | C11 | O9 | H17 | 118.5° | 120.1° |
| C9 | C11 | C12 | H17 | 119.6° | 120.0° |
| C9 | C11 | C12 | O10 | 162.7° | 176.9° |
| C9 | C11 | C12 | C8 | 45.5° | 57.0° |
| C11 | C9 | C10 | H14 | 174.8° | 55.0° |
| C11 | C9 | C10 | H15 | 55.1° | 64.9° |
| C9 | C11 | C12 | H19 | 76.7° | 63.0° |
| C9 | C11 | O9 | H18 | 180.0° | 59.9° |
| O9 | C11 | C12 | H17 | 121.2° | 120.1° |
| O9 | C11 | C12 | O10 | 78.0° | 63.2° |
| O9 | C11 | C12 | C8 | 164.7° | 176.9° |
| O9 | C11 | C9 | H13 | 56.9° | 57.6° |
| O9 | C11 | C12 | H19 | 42.5° | 56.9° |
| C11 | C12 | O10 | C8 | 121.5° | 119.5° |
| C11 | C12 | O10 | H19 | 119.7° | 120.2° |
| C11 | C12 | O10 | C13 | 86.6° | 150.0° |
| C11 | C12 | C8 | H19 | 122.2° | 120.0° |
| C12 | C11 | C9 | H13 | 64.1° | 62.3° |
| C11 | C12 | C8 | H11 | 162.1° | 176.9° |
| C12 | C11 | O9 | H18 | 58.8° | 179.6° |
| C12 | O10 | C13 | C14 | 148.7° | 170.0° |
| C12 | O10 | C13 | O12 | 91.3° | 70.1° |
| O10 | C12 | C8 | H19 | 119.6° | 120.2° |
| O10 | C12 | C11 | H17 | 43.1° | 56.9° |
| C12 | O10 | C13 | H20 | 28.9° | 50.0° |
| O10 | C12 | C8 | H11 | 79.8° | 63.2° |
| O10 | C13 | C14 | O12 | 119.2° | 120.0° |
| O10 | C13 | C14 | H20 | 120.8° | 120.0° |
| O10 | C13 | C14 | O11 | 175.2° | 177.7° |
| O10 | C13 | O12 | H20 | 120.6° | 120.0° |
| O10 | C13 | O12 | C15 | 55.5° | 58.8° |
| C13 | O10 | C12 | C8 | 151.9° | 90.4° |
| O10 | C13 | C14 | C18 | 62.5° | 62.4° |
| O10 | C13 | C14 | H21 | 56.0° | 57.6° |
| C13 | O10 | C12 | H19 | 33.1° | 29.8° |
| C13 | C14 | O11 | C18 | 122.5° | 119.7° |
| C13 | C14 | O11 | H21 | 118.5° | 120.2° |
| C14 | C13 | O12 | H20 | 119.1° | 120.0° |
| C14 | C13 | O12 | C15 | 64.8° | 61.1° |
| C13 | C14 | C18 | C17 | 48.5° | 57.0° |
| C13 | C14 | C18 | O15 | 170.7° | 176.8° |
| C13 | C14 | C18 | H21 | 118.4° | 120.0° |
| C13 | C14 | C18 | H29 | 70.6° | 63.0° |
| C13 | C14 | O11 | H22 | 180.0° | 60.4° |
| O11 | C14 | C13 | O12 | 65.5° | 62.3° |
| O11 | C14 | C18 | C17 | 73.3° | 62.9° |
| O11 | C14 | C18 | O15 | 48.9° | 56.9° |
| O11 | C14 | C18 | H21 | 119.9° | 120.1° |
| O11 | C14 | C18 | H29 | 167.7° | 177.1° |
| O11 | C14 | C13 | H20 | 54.4° | 57.7° |
| C13 | O12 | C15 | C16 | 175.1° | 178.9° |
| C13 | O12 | C15 | C17 | 62.3° | 61.2° |
| O12 | C13 | C14 | C18 | 56.8° | 57.6° |
| O12 | C13 | C14 | H21 | 175.2° | 177.6° |
| C13 | O12 | C15 | H23 | 57.2° | 58.9° |
| O12 | C15 | C16 | C17 | 121.4° | 119.9° |
| O12 | C15 | C16 | H23 | 118.5° | 120.0° |
| O12 | C15 | C16 | O13 | 179.8° | 65.1° |
| O12 | C15 | C17 | H23 | 120.2° | 120.0° |
| O12 | C15 | C17 | O14 | 173.3° | 177.5° |
| O12 | C15 | C17 | C18 | 52.0° | 57.7° |
| O12 | C15 | C17 | H27 | 67.5° | 62.3° |
| O12 | C15 | C16 | H24 | 60.0° | 174.9° |
| O12 | C15 | C16 | H25 | 59.6° | 55.0° |
| C15 | O12 | C13 | H20 | 176.1° | 178.9° |
| C15 | C16 | O13 | H24 | 120.2° | 120.0° |
| C15 | C16 | O13 | H25 | 120.2° | 120.0° |
| C16 | C15 | C17 | H23 | 120.2° | 120.0° |
| C16 | C15 | C17 | O14 | 67.1° | 62.6° |
| C16 | C15 | C17 | C18 | 171.6° | 177.6° |
| C16 | C15 | C17 | H27 | 52.1° | 57.7° |
| C15 | C16 | H24 | H25 | 119.5° | 119.9° |
| C15 | C16 | O13 | H26 | 180.0° | 180.0° |
| O13 | C16 | C15 | C17 | 58.8° | 175.0° |
| O13 | C16 | C15 | H23 | 61.3° | 54.9° |
| O13 | C16 | H24 | H25 | 119.4° | 120.0° |
| C15 | C17 | O14 | C18 | 122.7° | 119.6° |
| C15 | C17 | O14 | H27 | 118.4° | 120.2° |
| C15 | C17 | C18 | H27 | 119.4° | 119.9° |
| C15 | C17 | C18 | O15 | 168.1° | 176.9° |
| C15 | C17 | C18 | C14 | 46.4° | 57.0° |
| C15 | C17 | C18 | H29 | 72.7° | 62.9° |
| C17 | C15 | C16 | H24 | 61.4° | 55.0° |
| C17 | C15 | C16 | H25 | 179.0° | 64.9° |
| C15 | C17 | O14 | H28 | 180.0° | 180.0° |
| O14 | C17 | C18 | H27 | 119.7° | 120.2° |
| O14 | C17 | C18 | O15 | 71.1° | 63.3° |
| O14 | C17 | C18 | C14 | 167.2° | 176.9° |
| O14 | C17 | C15 | H23 | 53.1° | 57.5° |
| O14 | C17 | C18 | H29 | 48.2° | 57.0° |
| C17 | C18 | O15 | C14 | 123.5° | 119.5° |
| C17 | C18 | O15 | H29 | 118.5° | 120.3° |
| C17 | C18 | C14 | H29 | 119.0° | 120.0° |
| C17 | C18 | C14 | H21 | 166.9° | 177.0° |
| C18 | C17 | C15 | H23 | 68.2° | 62.4° |
| C18 | C17 | O14 | H28 | 57.3° | 60.4° |
| C17 | C18 | O15 | H30 | 180.0° | 179.5° |
| O15 | C18 | C14 | H29 | 118.7° | 120.2° |
| O15 | C18 | C14 | H21 | 70.9° | 63.2° |
| O15 | C18 | C17 | H27 | 48.6° | 56.9° |
| C5 | C19 | O16 | C20 | 121.9° | 119.7° |
| C5 | C19 | O16 | H31 | 119.1° | 120.1° |
| C5 | C19 | C20 | H31 | 119.2° | 120.0° |
| C5 | C19 | C20 | O17 | 171.0° | 176.8° |
| C5 | C19 | C20 | C4 | 52.9° | 57.0° |
| C5 | C19 | C20 | H33 | 68.0° | 62.9° |
| C19 | C5 | C6 | H8 | 174.6° | 55.0° |
| C19 | C5 | C6 | H9 | 65.0° | 65.0° |
| C5 | C19 | O16 | H32 | 180.0° | 60.2° |
| O16 | C19 | C20 | H31 | 119.9° | 120.1° |
| O16 | C19 | C20 | O17 | 68.1° | 63.3° |
| O16 | C19 | C20 | C4 | 173.8° | 176.9° |
| O16 | C19 | C20 | H33 | 52.9° | 57.0° |
| O16 | C19 | C5 | H7 | 55.7° | 57.6° |
| C19 | C20 | O17 | C4 | 118.5° | 119.5° |
| C19 | C20 | O17 | H33 | 120.1° | 120.2° |
| C19 | C20 | O17 | C21 | 155.8° | 150.0° |
| C19 | C20 | C4 | H33 | 120.9° | 119.9° |
| C20 | C19 | C5 | H7 | 65.1° | 62.4° |
| C19 | C20 | C4 | H5 | 172.5° | 176.9° |
| C20 | C19 | O16 | H32 | 58.1° | 180.0° |
| C20 | O17 | C21 | C22 | 169.5° | 170.0° |
| O17 | C20 | C4 | H33 | 122.2° | 120.2° |
| C20 | O17 | C21 | O24 | 65.6° | 70.1° |
| O17 | C20 | C19 | H31 | 51.8° | 56.8° |
| C20 | O17 | C21 | H34 | 56.0° | 49.9° |
| O17 | C20 | C4 | H5 | 70.6° | 63.2° |
| O17 | C21 | C22 | O24 | 128.1° | 120.0° |
| O17 | C21 | C22 | H34 | 114.7° | 120.1° |
| O17 | C21 | C22 | O18 | 164.4° | 177.8° |
| O17 | C21 | C22 | C29 | 73.8° | 62.4° |
| O17 | C21 | O24 | C31 | 65.7° | 58.8° |
| C21 | O17 | C20 | C4 | 85.7° | 90.5° |
| O17 | C21 | O24 | H34 | 121.8° | 120.1° |
| C21 | O17 | C20 | H33 | 35.7° | 29.8° |
| O17 | C21 | C22 | H35 | 45.9° | 57.6° |
| C21 | C22 | O18 | C29 | 119.1° | 119.6° |
| C21 | C22 | O18 | H35 | 117.7° | 120.2° |
| C21 | C22 | O18 | C23 | 165.1° | 90.0° |
| C21 | C22 | C29 | H35 | 119.6° | 119.9° |
| C21 | C22 | C29 | C30 | 54.8° | 57.0° |
| C22 | C21 | O24 | C31 | 56.1° | 61.2° |
| C21 | C22 | C29 | O27 | 179.4° | 176.9° |
| C22 | C21 | O24 | H34 | 116.4° | 119.9° |
| C21 | C22 | C29 | H47 | 61.1° | 62.9° |
| C22 | O18 | C23 | C24 | 173.0° | 170.0° |
| O18 | C22 | C29 | H35 | 123.9° | 120.2° |
| O18 | C22 | C29 | C30 | 61.7° | 62.9° |
| O18 | C22 | C29 | O27 | 64.1° | 57.0° |
| O18 | C22 | C21 | O24 | 67.5° | 62.3° |
| C22 | O18 | C23 | O20 | 64.6° | 70.0° |
| O18 | C22 | C21 | H34 | 49.7° | 57.7° |
| C22 | O18 | C23 | H36 | 55.2° | 50.0° |
| O18 | C22 | C29 | H47 | 177.6° | 177.2° |
| O18 | C23 | C24 | O20 | 123.1° | 120.0° |
| O18 | C23 | C24 | H36 | 118.8° | 120.0° |
| O18 | C23 | C24 | O19 | 167.7° | 177.7° |
| O18 | C23 | C24 | C25 | 69.6° | 62.4° |
| O18 | C23 | O20 | C27 | 60.3° | 58.8° |
| C23 | O18 | C22 | C29 | 75.9° | 150.3° |
| O18 | C23 | O20 | H36 | 120.1° | 120.1° |
| C23 | O18 | C22 | H35 | 47.4° | 30.1° |
| O18 | C23 | C24 | H37 | 48.8° | 57.6° |
| C23 | C24 | O19 | C25 | 123.2° | 119.7° |
| C23 | C24 | O19 | H37 | 118.1° | 120.1° |
| C23 | C24 | C25 | H37 | 118.3° | 119.9° |
| C23 | C24 | C25 | C26 | 47.8° | 57.0° |
| C24 | C23 | O20 | C27 | 62.4° | 61.2° |
| C23 | C24 | C25 | O23 | 170.2° | 176.9° |
| C24 | C23 | O20 | H36 | 117.3° | 120.0° |
| C23 | C24 | C25 | H39 | 71.3° | 62.9° |
| C23 | C24 | O19 | H38 | 180.0° | 60.0° |
| O19 | C24 | C25 | H37 | 119.5° | 120.2° |
| O19 | C24 | C25 | C26 | 74.4° | 62.9° |
| O19 | C24 | C25 | O23 | 48.0° | 57.0° |
| O19 | C24 | C23 | O20 | 69.2° | 62.3° |
| O19 | C24 | C23 | H36 | 48.9° | 57.7° |
| O19 | C24 | C25 | H39 | 166.5° | 177.2° |
| C24 | C25 | C26 | O23 | 121.9° | 119.9° |
| C24 | C25 | C26 | H39 | 119.1° | 119.9° |
| C24 | C25 | C26 | C27 | 47.9° | 57.0° |
| C24 | C25 | C26 | O22 | 168.7° | 176.9° |
| C24 | C25 | O23 | H39 | 117.8° | 120.2° |
| C25 | C24 | C23 | O20 | 53.5° | 57.6° |
| C25 | C24 | C23 | H36 | 171.6° | 177.6° |
| C24 | C25 | C26 | H40 | 71.4° | 62.9° |
| C25 | C24 | O19 | H38 | 56.9° | 179.7° |
| C24 | C25 | O23 | H46 | 180.0° | 60.0° |
| C25 | C26 | C27 | O22 | 121.2° | 119.9° |
| C25 | C26 | C27 | H40 | 119.3° | 119.9° |
| C25 | C26 | C27 | O20 | 53.4° | 57.6° |
| C25 | C26 | C27 | C28 | 172.9° | 177.6° |
| C25 | C26 | O22 | H40 | 119.2° | 120.1° |
| C26 | C25 | O23 | H39 | 118.2° | 120.2° |
| C26 | C25 | C24 | H37 | 166.1° | 176.9° |
| C25 | C26 | C27 | H41 | 66.4° | 62.4° |
| C25 | C26 | O22 | H45 | 180.0° | 60.0° |
| C26 | C25 | O23 | H46 | 56.0° | 179.5° |
| C26 | C27 | O20 | C28 | 123.3° | 119.9° |
| C26 | C27 | O20 | H41 | 119.1° | 120.0° |
| C26 | C27 | C28 | H41 | 120.6° | 120.0° |
| C26 | C27 | C28 | O21 | 178.0° | 175.0° |
| C27 | C26 | O22 | H40 | 118.7° | 120.2° |
| C27 | C26 | C25 | O23 | 169.8° | 176.9° |
| C26 | C27 | O20 | C23 | 62.3° | 61.2° |
| C27 | C26 | C25 | H39 | 71.2° | 62.9° |
| C26 | C27 | C28 | H42 | 57.7° | 55.1° |
| C26 | C27 | C28 | H43 | 61.8° | 65.0° |
| C27 | C26 | O22 | H45 | 57.8° | 179.7° |
| O20 | C27 | C28 | H41 | 118.3° | 120.1° |
| O20 | C27 | C28 | O21 | 60.9° | 65.1° |
| O20 | C27 | C26 | O22 | 174.6° | 177.5° |
| C27 | O20 | C23 | H36 | 179.7° | 178.9° |
| O20 | C27 | C26 | H40 | 65.9° | 62.3° |
| O20 | C27 | C28 | H42 | 178.8° | 175.0° |
| O20 | C27 | C28 | H43 | 59.4° | 54.9° |
| C27 | C28 | O21 | H42 | 120.3° | 120.0° |
| C27 | C28 | O21 | H43 | 120.2° | 120.0° |
| C28 | C27 | C26 | O22 | 65.8° | 62.5° |
| C28 | C27 | O20 | C23 | 174.3° | 178.9° |
| C28 | C27 | C26 | H40 | 53.7° | 57.7° |
| C27 | C28 | H42 | H43 | 119.2° | 120.1° |
| C27 | C28 | O21 | H44 | 180.0° | 180.0° |
| O21 | C28 | C27 | H41 | 57.4° | 55.0° |
| O21 | C28 | H42 | H43 | 119.2° | 120.0° |
| O22 | C26 | C25 | O23 | 69.4° | 63.2° |
| O22 | C26 | C25 | H39 | 49.6° | 57.0° |
| O22 | C26 | C27 | H41 | 54.8° | 57.5° |
| O23 | C25 | C24 | H37 | 71.5° | 63.2° |
| O23 | C25 | C26 | H40 | 50.6° | 56.9° |
| C22 | C29 | C30 | O27 | 126.8° | 119.9° |
| C22 | C29 | C30 | H47 | 115.9° | 119.8° |
| C22 | C29 | C30 | C31 | 54.6° | 57.0° |
| C22 | C29 | C30 | O26 | 175.4° | 176.9° |
| C22 | C29 | O27 | H47 | 117.6° | 120.1° |
| C29 | C22 | C21 | O24 | 54.4° | 57.6° |
| C29 | C22 | C21 | H34 | 171.5° | 177.5° |
| C22 | C29 | C30 | H48 | 64.2° | 62.9° |
| C22 | C29 | O27 | H54 | 180.0° | 180.0° |
| C29 | C30 | C31 | O26 | 121.2° | 119.9° |
| C29 | C30 | C31 | H48 | 118.9° | 119.9° |
| C29 | C30 | C31 | O24 | 53.0° | 57.6° |
| C29 | C30 | C31 | C32 | 172.6° | 177.6° |
| C29 | C30 | O26 | H48 | 119.6° | 120.2° |
| C30 | C29 | O27 | H47 | 116.6° | 120.3° |
| C30 | C29 | C22 | H35 | 174.5° | 176.9° |
| C29 | C30 | C31 | H49 | 67.4° | 62.4° |
| C29 | C30 | O26 | H53 | 180.0° | 180.0° |
| C30 | C29 | O27 | H54 | 54.2° | 60.4° |
| C30 | C31 | O24 | C32 | 123.1° | 120.0° |
| C30 | C31 | O24 | H49 | 119.7° | 120.0° |
| C30 | C31 | C32 | H49 | 119.8° | 120.0° |
| C30 | C31 | C32 | O25 | 179.7° | 175.0° |
| C31 | C30 | O26 | H48 | 119.1° | 120.1° |
| C31 | C30 | C29 | O27 | 178.6° | 176.9° |
| C30 | C31 | O24 | C21 | 55.1° | 61.2° |
| C31 | C30 | C29 | H47 | 61.3° | 62.8° |
| C30 | C31 | C32 | H50 | 59.5° | 55.0° |
| C30 | C31 | C32 | H51 | 60.0° | 65.0° |
| C31 | C30 | O26 | H53 | 58.7° | 60.3° |
| O24 | C31 | C32 | H49 | 117.8° | 120.1° |
| O24 | C31 | C32 | O25 | 57.9° | 65.1° |
| O24 | C31 | C30 | O26 | 174.2° | 177.5° |
| C31 | O24 | C21 | H34 | 172.4° | 178.9° |
| O24 | C31 | C30 | H48 | 65.9° | 62.3° |
| O24 | C31 | C32 | H50 | 178.2° | 174.9° |
| O24 | C31 | C32 | H51 | 62.4° | 55.0° |
| C31 | C32 | O25 | H50 | 120.3° | 120.1° |
| C31 | C32 | O25 | H51 | 120.3° | 120.0° |
| C32 | C31 | C30 | O26 | 66.1° | 62.5° |
| C32 | C31 | O24 | C21 | 178.3° | 178.8° |
| C32 | C31 | C30 | H48 | 53.8° | 57.7° |
| C31 | C32 | H50 | H51 | 119.1° | 120.0° |
| C31 | C32 | O25 | H52 | 180.0° | 180.0° |
| O25 | C32 | C31 | H49 | 59.9° | 55.0° |
| O25 | C32 | H50 | H51 | 119.1° | 120.0° |
| O26 | C30 | C29 | O27 | 57.8° | 63.3° |
| O26 | C30 | C29 | H47 | 59.5° | 57.0° |
| O26 | C30 | C31 | H49 | 53.8° | 57.5° |
| O27 | C29 | C22 | H35 | 59.8° | 63.2° |
| O27 | C29 | C30 | H48 | 62.6° | 57.0° |
| C2 | C33 | C34 | O29 | 120.6° | 119.9° |
| C2 | C33 | C34 | H55 | 120.9° | 120.0° |
| C2 | C33 | C34 | O28 | 179.5° | 176.0° |
| C2 | C33 | O29 | H55 | 119.4° | 119.9° |
| C2 | C33 | O29 | C35 | 61.1° | 61.1° |
| C33 | C2 | C1 | C69 | 58.5° | 57.0° |
| C33 | C2 | C1 | H2 | 60.1° | 62.9° |
| C2 | C33 | C34 | H56 | 60.3° | 55.9° |
| C2 | C33 | C34 | H57 | 59.2° | 64.1° |
| C33 | C34 | O28 | H56 | 120.3° | 120.1° |
| C33 | C34 | O28 | H57 | 120.3° | 120.0° |
| C34 | C33 | O29 | H55 | 117.9° | 120.1° |
| C34 | C33 | O29 | C35 | 176.2° | 178.9° |
| C34 | C33 | C2 | H3 | 56.8° | 57.6° |
| C33 | C34 | H56 | H57 | 119.2° | 120.1° |
| C33 | C34 | O28 | H58 | 180.0° | 180.0° |
| O28 | C34 | C33 | O29 | 58.9° | 64.1° |
| O28 | C34 | C33 | H55 | 59.7° | 55.9° |
| O28 | C34 | H56 | H57 | 119.1° | 119.9° |
| C33 | O29 | C35 | O30 | 179.4° | 178.9° |
| C33 | O29 | C35 | C69 | 59.7° | 61.1° |
| O29 | C33 | C2 | H3 | 62.1° | 62.4° |
| O29 | C33 | C34 | H56 | 179.2° | 175.9° |
| O29 | C33 | C34 | H57 | 61.4° | 55.9° |
| C33 | O29 | C35 | H59 | 58.5° | 58.8° |
| O29 | C35 | O30 | C69 | 121.2° | 119.9° |
| O29 | C35 | O30 | H59 | 121.9° | 120.0° |
| O29 | C35 | O30 | C36 | 66.8° | 72.4° |
| O29 | C35 | C69 | H59 | 118.9° | 119.9° |
| O29 | C35 | C69 | N2 | 178.4° | 177.5° |
| O29 | C35 | C69 | C1 | 56.1° | 57.6° |
| C35 | O29 | C33 | H55 | 58.3° | 58.8° |
| O29 | C35 | C69 | H116 | 61.6° | 62.3° |
| C35 | O30 | C36 | C37 | 161.6° | 101.6° |
| C35 | O30 | C36 | C68 | 79.4° | 138.7° |
| O30 | C35 | C69 | H59 | 117.8° | 120.1° |
| O30 | C35 | C69 | N2 | 58.3° | 62.5° |
| O30 | C35 | C69 | C1 | 179.4° | 177.6° |
| C35 | O30 | C36 | H60 | 43.6° | 18.5° |
| O30 | C35 | C69 | H116 | 61.7° | 57.7° |
| O30 | C36 | C37 | C68 | 121.5° | 119.9° |
| O30 | C36 | C37 | H60 | 118.9° | 120.2° |
| O30 | C36 | C37 | C38 | 65.0° | 62.5° |
| O30 | C36 | C37 | O32 | 175.2° | 177.5° |
| O30 | C36 | C68 | H60 | 123.6° | 120.2° |
| O30 | C36 | C68 | O41 | 68.9° | 63.2° |
| C36 | O30 | C35 | C69 | 172.0° | 167.7° |
| O30 | C36 | C68 | C65 | 171.2° | 176.8° |
| C36 | O30 | C35 | H59 | 55.1° | 47.6° |
| O30 | C36 | C37 | H61 | 55.1° | 57.5° |
| O30 | C36 | C68 | H114 | 52.4° | 57.0° |
| C36 | C37 | C38 | O32 | 121.9° | 120.0° |
| C36 | C37 | C38 | H61 | 120.0° | 120.0° |
| C36 | C37 | C38 | O31 | 177.9° | 175.7° |
| C36 | C37 | O32 | H61 | 119.3° | 119.9° |
| C36 | C37 | O32 | C39 | 60.7° | 61.1° |
| C37 | C36 | C68 | H60 | 119.5° | 119.9° |
| C37 | C36 | C68 | O41 | 174.2° | 176.9° |
| C37 | C36 | C68 | C65 | 54.3° | 56.9° |
| C36 | C37 | C38 | H62 | 57.6° | 55.8° |
| C36 | C37 | C38 | H63 | 61.7° | 64.2° |
| C37 | C36 | C68 | H114 | 64.4° | 62.9° |
| C37 | C38 | O31 | H62 | 120.3° | 120.0° |
| C37 | C38 | O31 | H63 | 120.3° | 120.0° |
| C38 | C37 | O32 | H61 | 117.4° | 120.1° |
| C38 | C37 | O32 | C39 | 176.1° | 178.8° |
| C38 | C37 | C36 | C68 | 173.5° | 177.6° |
| C38 | C37 | C36 | H60 | 53.9° | 57.7° |
| C37 | C38 | H62 | H63 | 119.0° | 120.0° |
| C37 | C38 | O31 | H64 | 180.0° | 180.0° |
| O31 | C38 | C37 | O32 | 60.2° | 64.3° |
| O31 | C38 | C37 | H61 | 57.9° | 55.7° |
| O31 | C38 | H62 | H63 | 119.1° | 120.0° |
| C37 | O32 | C39 | O33 | 54.3° | 58.9° |
| C37 | O32 | C39 | C65 | 63.7° | 61.2° |
| O32 | C37 | C36 | C68 | 53.7° | 57.6° |
| O32 | C37 | C36 | H60 | 65.9° | 62.3° |
| O32 | C37 | C38 | H62 | 179.5° | 175.7° |
| O32 | C37 | C38 | H63 | 60.2° | 55.7° |
| C37 | O32 | C39 | H65 | 177.0° | 178.9° |
| O32 | C39 | O33 | C65 | 117.0° | 120.0° |
| O32 | C39 | O33 | H65 | 122.6° | 120.0° |
| O32 | C39 | O33 | P1 | 72.8° | 90.0° |
| O32 | C39 | C65 | H65 | 120.3° | 119.9° |
| O32 | C39 | C65 | N1 | 174.8° | 177.5° |
| O32 | C39 | C65 | C68 | 61.7° | 57.6° |
| C39 | O32 | C37 | H61 | 58.7° | 58.8° |
| O32 | C39 | C65 | H109 | 55.5° | 62.3° |
| C39 | O33 | P1 | O34 | 75.6° | 175.0° |
| C39 | O33 | P1 | O38 | 42.2° | 65.1° |
| C39 | O33 | P1 | O39 | 169.6° | 54.9° |
| O33 | C39 | C65 | H65 | 121.4° | 120.0° |
| O33 | C39 | C65 | N1 | 67.0° | 57.5° |
| O33 | C39 | C65 | C68 | 56.6° | 62.4° |
| O33 | C39 | C65 | H109 | 173.7° | 177.7° |
| O33 | P1 | O34 | O38 | 117.7° | 119.9° |
| O33 | P1 | O34 | O39 | 115.2° | 120.0° |
| O33 | P1 | O34 | P2 | 56.2° | 165.0° |
| O33 | P1 | O38 | O39 | 122.6° | 120.0° |
| P1 | O33 | C39 | C65 | 170.2° | 150.0° |
| P1 | O33 | C39 | H65 | 49.8° | 30.0° |
| O33 | P1 | O38 | H122 | 122.6° | 60.0° |
| P1 | O34 | P2 | O35 | 76.3° | 75.0° |
| P1 | O34 | P2 | O36 | 166.7° | 165.0° |
| P1 | O34 | P2 | O37 | 53.3° | 45.0° |
| O34 | P1 | O38 | O39 | 122.1° | 120.0° |
| O34 | P1 | O38 | H122 | 122.1° | 60.0° |
| O34 | P2 | O35 | O36 | 113.1° | 120.1° |
| O34 | P2 | O35 | O37 | 124.3° | 120.0° |
| O34 | P2 | O36 | O37 | 114.4° | 120.0° |
| O34 | P2 | O36 | C40 | 61.2° | 175.0° |
| P2 | O34 | P1 | O38 | 173.9° | 75.0° |
| P2 | O34 | P1 | O39 | 58.9° | 45.0° |
| O34 | P2 | O35 | H121 | 124.3° | 60.0° |
| O35 | P2 | O36 | O37 | 128.7° | 119.9° |
| O35 | P2 | O36 | C40 | 55.7° | 65.0° |
| P2 | O36 | C40 | C41 | 179.3° | 180.0° |
| P2 | O36 | C40 | H66 | 59.4° | 60.0° |
| P2 | O36 | C40 | H67 | 60.7° | 59.9° |
| O36 | P2 | O35 | H121 | 122.6° | 60.0° |
| O36 | C40 | C41 | H66 | 119.9° | 120.0° |
| O36 | C40 | C41 | H67 | 120.0° | 120.0° |
| O36 | C40 | C41 | C42 | 177.5° | 180.0° |
| C40 | O36 | P2 | O37 | 175.6° | 55.0° |
| O36 | C40 | H66 | H67 | 120.2° | 120.0° |
| O36 | C40 | C41 | H68 | 61.5° | 60.0° |
| O36 | C40 | C41 | H69 | 56.3° | 60.0° |
| C40 | C41 | C42 | H68 | 121.1° | 120.0° |
| C40 | C41 | C42 | H69 | 121.1° | 120.0° |
| C40 | C41 | C42 | C43 | 58.8° | 65.0° |
| C40 | C41 | C42 | C44 | 175.9° | 175.0° |
| C41 | C40 | H66 | H67 | 120.2° | 120.0° |
| C40 | C41 | H68 | H69 | 116.5° | 119.9° |
| C40 | C41 | C42 | H70 | 58.0° | 55.1° |
| C41 | C42 | C43 | C44 | 126.1° | 120.0° |
| C41 | C42 | C43 | H70 | 116.8° | 120.0° |
| C41 | C42 | C44 | H70 | 118.0° | 119.9° |
| C41 | C42 | C44 | C45 | 173.7° | 175.0° |
| C42 | C41 | C40 | H66 | 57.5° | 60.0° |
| C42 | C41 | C40 | H67 | 62.6° | 60.0° |
| C42 | C41 | H68 | H69 | 116.6° | 120.1° |
| C41 | C42 | C43 | H71 | 180.0° | 180.0° |
| C41 | C42 | C43 | H72 | 60.0° | 60.0° |
| C41 | C42 | C43 | H73 | 60.0° | 60.0° |
| C41 | C42 | C44 | H74 | 65.6° | 65.0° |
| C41 | C42 | C44 | H75 | 53.0° | 55.0° |
| C43 | C42 | C44 | H70 | 117.1° | 120.0° |
| C43 | C42 | C44 | C45 | 61.3° | 65.0° |
| C43 | C42 | C41 | H68 | 62.3° | 55.0° |
| C43 | C42 | C41 | H69 | 179.9° | 175.0° |
| C42 | C43 | H71 | H72 | 120.0° | 120.0° |
| C42 | C43 | H71 | H73 | 120.0° | 120.0° |
| C42 | C43 | H72 | H73 | 120.0° | 119.9° |
| C43 | C42 | C44 | H74 | 59.4° | 55.0° |
| C43 | C42 | C44 | H75 | 178.0° | 175.0° |
| C42 | C44 | C45 | H74 | 120.7° | 120.0° |
| C42 | C44 | C45 | H75 | 120.7° | 120.0° |
| C42 | C44 | C45 | C46 | 166.4° | 180.0° |
| C44 | C42 | C41 | H68 | 63.0° | 65.0° |
| C44 | C42 | C41 | H69 | 54.8° | 55.0° |
| C44 | C42 | C43 | H71 | 53.8° | 60.0° |
| C44 | C42 | C43 | H72 | 173.9° | 180.0° |
| C44 | C42 | C43 | H73 | 66.1° | 60.0° |
| C42 | C44 | H74 | H75 | 117.8° | 120.1° |
| C42 | C44 | C45 | H76 | 73.2° | 60.0° |
| C42 | C44 | C45 | H77 | 46.0° | 60.0° |
| C44 | C45 | C46 | H76 | 120.4° | 120.0° |
| C44 | C45 | C46 | H77 | 120.4° | 120.0° |
| C44 | C45 | C46 | C47 | 148.2° | 125.9° |
| C45 | C44 | C42 | H70 | 55.8° | 55.0° |
| C45 | C44 | H74 | H75 | 117.8° | 120.0° |
| C44 | C45 | H76 | H77 | 118.8° | 120.0° |
| C44 | C45 | C46 | H78 | 31.8° | 54.1° |
| C45 | C46 | C47 | H78 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 1.4° | 4.7° |
| C45 | C46 | C47 | C64 | 178.4° | 175.3° |
| C46 | C45 | C44 | H74 | 45.7° | 60.0° |
| C46 | C45 | C44 | H75 | 72.8° | 60.0° |
| C46 | C45 | H76 | H77 | 118.8° | 120.0° |
| C46 | C47 | C48 | C64 | 179.9° | 180.0° |
| C46 | C47 | C48 | C49 | 128.4° | 91.4° |
| C47 | C46 | C45 | H76 | 27.8° | 5.9° |
| C47 | C46 | C45 | H77 | 91.4° | 114.2° |
| C46 | C47 | C48 | H79 | 7.9° | 148.6° |
| C46 | C47 | C48 | H80 | 111.2° | 28.6° |
| C46 | C47 | C64 | H106 | 180.0° | 90.0° |
| C46 | C47 | C64 | H107 | 60.0° | 150.0° |
| C46 | C47 | C64 | H108 | 60.0° | 30.0° |
| C47 | C48 | C49 | H79 | 120.4° | 119.9° |
| C47 | C48 | C49 | H80 | 120.4° | 120.0° |
| C47 | C48 | C49 | C50 | 179.4° | 180.0° |
| C48 | C47 | C46 | H78 | 178.6° | 175.3° |
| C47 | C48 | H79 | H80 | 118.7° | 120.0° |
| C47 | C48 | C49 | H81 | 58.7° | 60.0° |
| C47 | C48 | C49 | H82 | 59.9° | 60.0° |
| C48 | C47 | C64 | H106 | 0.2° | 90.0° |
| C48 | C47 | C64 | H107 | 119.9° | 30.0° |
| C48 | C47 | C64 | H108 | 120.1° | 150.0° |
| C48 | C49 | C50 | H81 | 120.7° | 120.0° |
| C48 | C49 | C50 | H82 | 120.7° | 120.0° |
| C48 | C49 | C50 | C51 | 130.6° | 119.0° |
| C49 | C48 | C47 | C64 | 51.8° | 88.6° |
| C49 | C48 | H79 | H80 | 118.7° | 120.1° |
| C48 | C49 | H81 | H82 | 117.8° | 120.0° |
| C48 | C49 | C50 | H83 | 49.4° | 61.1° |
| C49 | C50 | C51 | H83 | 180.0° | 179.9° |
| C49 | C50 | C51 | C52 | 0.3° | 4.1° |
| C49 | C50 | C51 | C53 | 179.8° | 175.9° |
| C50 | C49 | C48 | H79 | 60.1° | 60.0° |
| C50 | C49 | C48 | H80 | 59.0° | 60.0° |
| C50 | C49 | H81 | H82 | 117.8° | 120.1° |
| C50 | C51 | C52 | C53 | 179.9° | 180.0° |
| C50 | C51 | C53 | C54 | 62.3° | 95.0° |
| C51 | C50 | C49 | H81 | 108.7° | 121.0° |
| C51 | C50 | C49 | H82 | 9.9° | 1.0° |
| C50 | C51 | C52 | H84 | 180.0° | 84.8° |
| C50 | C51 | C52 | H85 | 60.0° | 155.1° |
| C50 | C51 | C52 | H86 | 60.0° | 35.2° |
| C50 | C51 | C53 | H87 | 177.0° | 145.0° |
| C50 | C51 | C53 | H88 | 58.4° | 25.0° |
| C52 | C51 | C53 | C54 | 117.6° | 85.0° |
| C52 | C51 | C50 | H83 | 179.7° | 176.0° |
| C51 | C52 | H84 | H85 | 120.0° | 120.0° |
| C51 | C52 | H84 | H86 | 120.0° | 120.0° |
| C51 | C52 | H85 | H86 | 120.0° | 120.0° |
| C52 | C51 | C53 | H87 | 3.1° | 35.0° |
| C52 | C51 | C53 | H88 | 121.8° | 155.0° |
| C51 | C53 | C54 | H87 | 120.7° | 120.0° |
| C51 | C53 | C54 | H88 | 120.6° | 120.0° |
| C51 | C53 | C54 | C55 | 178.1° | 180.0° |
| C53 | C51 | C50 | H83 | 0.2° | 4.0° |
| C53 | C51 | C52 | H84 | 0.1° | 95.1° |
| C53 | C51 | C52 | H85 | 119.9° | 24.9° |
| C53 | C51 | C52 | H86 | 120.1° | 144.9° |
| C51 | C53 | H87 | H88 | 117.9° | 120.0° |
| C51 | C53 | C54 | H89 | 57.5° | 60.0° |
| C51 | C53 | C54 | H90 | 61.3° | 60.0° |
| C53 | C54 | C55 | H89 | 120.6° | 120.0° |
| C53 | C54 | C55 | H90 | 120.6° | 120.0° |
| C53 | C54 | C55 | C56 | 73.8° | 125.2° |
| C54 | C53 | H87 | H88 | 118.0° | 119.9° |
| C53 | C54 | H89 | H90 | 118.2° | 120.0° |
| C53 | C54 | C55 | H91 | 106.2° | 54.8° |
| C54 | C55 | C56 | H91 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 179.9° | 174.1° |
| C54 | C55 | C56 | C63 | 0.8° | 5.9° |
| C55 | C54 | C53 | H87 | 61.3° | 60.0° |
| C55 | C54 | C53 | H88 | 57.4° | 60.0° |
| C55 | C54 | H89 | H90 | 118.1° | 119.9° |
| C55 | C56 | C57 | C63 | 179.2° | 180.0° |
| C55 | C56 | C57 | C58 | 175.1° | 95.0° |
| C56 | C55 | C54 | H89 | 165.6° | 5.1° |
| C56 | C55 | C54 | H90 | 46.8° | 114.8° |
| C55 | C56 | C57 | H92 | 54.0° | 145.0° |
| C55 | C56 | C57 | H93 | 63.7° | 24.9° |
| C55 | C56 | C63 | H103 | 180.0° | 84.7° |
| C55 | C56 | C63 | H104 | 60.0° | 155.3° |
| C55 | C56 | C63 | H105 | 60.0° | 35.3° |
| C56 | C57 | C58 | H92 | 121.1° | 120.0° |
| C56 | C57 | C58 | H93 | 121.2° | 120.0° |
| C56 | C57 | C58 | C59 | 82.0° | NaN° |
| C57 | C56 | C55 | H91 | 0.1° | 6.0° |
| C56 | C57 | H92 | H93 | 116.4° | 120.0° |
| C56 | C57 | C58 | H94 | 157.4° | 60.0° |
| C56 | C57 | C58 | H95 | 38.6° | 60.0° |
| C57 | C56 | C63 | H103 | 0.8° | 95.3° |
| C57 | C56 | C63 | H104 | 119.1° | 24.7° |
| C57 | C56 | C63 | H105 | 120.9° | 144.7° |
| C57 | C58 | C59 | H94 | 120.6° | 120.0° |
| C57 | C58 | C59 | H95 | 120.6° | 120.0° |
| C57 | C58 | C59 | C60 | 117.8° | 125.0° |
| C58 | C57 | C56 | C63 | 5.7° | 85.0° |
| C58 | C57 | H92 | H93 | 116.3° | 120.0° |
| C57 | C58 | H94 | H95 | 118.1° | 120.0° |
| C57 | C58 | C59 | H96 | 62.2° | 55.0° |
| C58 | C59 | C60 | H96 | 180.0° | 180.0° |
| C58 | C59 | C60 | C61 | 179.7° | 0.0° |
| C58 | C59 | C60 | C62 | 0.4° | 180.0° |
| C59 | C58 | C57 | H92 | 39.1° | 60.0° |
| C59 | C58 | C57 | H93 | 156.8° | 60.0° |
| C59 | C58 | H94 | H95 | 118.1° | 120.0° |
| C59 | C60 | C61 | C62 | 180.0° | 180.0° |
| C60 | C59 | C58 | H94 | 2.8° | 5.0° |
| C60 | C59 | C58 | H95 | 121.6° | 115.0° |
| C59 | C60 | C61 | H97 | 180.0° | 60.0° |
| C59 | C60 | C61 | H98 | 60.0° | 180.0° |
| C59 | C60 | C61 | H99 | 60.0° | 60.0° |
| C59 | C60 | C62 | H100 | 180.0° | 90.0° |
| C59 | C60 | C62 | H101 | 60.0° | 150.0° |
| C59 | C60 | C62 | H102 | 60.0° | 30.0° |
| C61 | C60 | C59 | H96 | 0.4° | 180.0° |
| C60 | C61 | H97 | H98 | 120.0° | 119.9° |
| C60 | C61 | H97 | H99 | 120.0° | 120.0° |
| C60 | C61 | H98 | H99 | 120.0° | 120.0° |
| C61 | C60 | C62 | H100 | 0.0° | 90.0° |
| C61 | C60 | C62 | H101 | 120.0° | 30.0° |
| C61 | C60 | C62 | H102 | 120.0° | 150.0° |
| C62 | C60 | C59 | H96 | 179.6° | 0.0° |
| C62 | C60 | C61 | H97 | 0.0° | 120.0° |
| C62 | C60 | C61 | H98 | 120.0° | 0.0° |
| C62 | C60 | C61 | H99 | 120.0° | 120.0° |
| C60 | C62 | H100 | H101 | 120.0° | 120.0° |
| C60 | C62 | H100 | H102 | 120.0° | 120.0° |
| C60 | C62 | H101 | H102 | 120.0° | 120.0° |
| C63 | C56 | C55 | H91 | 179.2° | 174.1° |
| C63 | C56 | C57 | H92 | 126.8° | 35.0° |
| C63 | C56 | C57 | H93 | 115.5° | 155.0° |
| C56 | C63 | H103 | H104 | 120.0° | 120.0° |
| C56 | C63 | H103 | H105 | 120.0° | 120.0° |
| C56 | C63 | H104 | H105 | 120.0° | 120.0° |
| C64 | C47 | C46 | H78 | 1.6° | 4.7° |
| C64 | C47 | C48 | H79 | 172.2° | 31.4° |
| C64 | C47 | C48 | H80 | 68.6° | 151.4° |
| C47 | C64 | H106 | H107 | 120.0° | 120.1° |
| C47 | C64 | H106 | H108 | 120.0° | 120.0° |
| C47 | C64 | H107 | H108 | 120.0° | 120.0° |
| O37 | P2 | O35 | H121 | 0.0° | 180.0° |
| O39 | P1 | O38 | H122 | 0.0° | 180.0° |
| C39 | C65 | N1 | C68 | 121.8° | 119.7° |
| C39 | C65 | N1 | H109 | 118.8° | 120.1° |
| C39 | C65 | N1 | C66 | 113.2° | 85.0° |
| C39 | C65 | C68 | C36 | 58.9° | 56.9° |
| C39 | C65 | C68 | O41 | 179.9° | 176.9° |
| C39 | C65 | C68 | H109 | 117.1° | 119.9° |
| C39 | C65 | N1 | H110 | 66.8° | 95.0° |
| C39 | C65 | C68 | H114 | 59.9° | 62.9° |
| C65 | N1 | C66 | H110 | 180.0° | 180.0° |
| C65 | N1 | C66 | C67 | 179.9° | 180.0° |
| C65 | N1 | C66 | O40 | 0.2° | 0.0° |
| N1 | C65 | C68 | C36 | 178.0° | 176.9° |
| N1 | C65 | C68 | O41 | 56.7° | 63.2° |
| N1 | C65 | C68 | H109 | 119.8° | 120.2° |
| N1 | C65 | C39 | H65 | 54.5° | 62.5° |
| N1 | C65 | C68 | H114 | 63.2° | 57.0° |
| N1 | C66 | C67 | O40 | 179.7° | 179.9° |
| C66 | N1 | C65 | C68 | 124.9° | 155.3° |
| C66 | N1 | C65 | H109 | 5.6° | 35.1° |
| N1 | C66 | C67 | H111 | 179.7° | 0.1° |
| N1 | C66 | C67 | H112 | 60.3° | 120.0° |
| N1 | C66 | C67 | H113 | 59.7° | 120.0° |
| C67 | C66 | N1 | H110 | 0.1° | 0.1° |
| C66 | C67 | H111 | H112 | 120.0° | 119.9° |
| C66 | C67 | H111 | H113 | 120.0° | 120.0° |
| C66 | C67 | H112 | H113 | 120.0° | 120.0° |
| O40 | C66 | N1 | H110 | 179.8° | 180.0° |
| O40 | C66 | C67 | H111 | 0.0° | 180.0° |
| O40 | C66 | C67 | H112 | 120.0° | 60.1° |
| O40 | C66 | C67 | H113 | 120.0° | 60.0° |
| C36 | C68 | O41 | C65 | 120.4° | 119.6° |
| C36 | C68 | O41 | H114 | 120.5° | 120.2° |
| C36 | C68 | C65 | H114 | 118.8° | 119.8° |
| C68 | C36 | C37 | H61 | 66.4° | 62.4° |
| C36 | C68 | C65 | H109 | 58.2° | 62.9° |
| C36 | C68 | O41 | H115 | 180.0° | 180.0° |
| O41 | C68 | C65 | H114 | 120.0° | 120.2° |
| O41 | C68 | C36 | H60 | 54.7° | 57.0° |
| O41 | C68 | C65 | H109 | 63.0° | 57.0° |
| C35 | C69 | N2 | C1 | 121.1° | 119.7° |
| C35 | C69 | N2 | H116 | 119.5° | 120.1° |
| C35 | C69 | N2 | C70 | 119.2° | 85.3° |
| C35 | C69 | C1 | H116 | 117.8° | 119.9° |
| C35 | C69 | C1 | H2 | 60.8° | 62.9° |
| C35 | C69 | N2 | H117 | 60.8° | 94.7° |
| C69 | N2 | C70 | H117 | 180.0° | 180.0° |
| C69 | N2 | C70 | C71 | 179.5° | 180.0° |
| C69 | N2 | C70 | O42 | 0.3° | 0.0° |
| N2 | C69 | C1 | H116 | 119.9° | 120.2° |
| N2 | C69 | C1 | H2 | 61.6° | 57.0° |
| N2 | C69 | C35 | H59 | 59.5° | 57.6° |
| N2 | C70 | C71 | O42 | 179.8° | 180.0° |
| C70 | N2 | C69 | C1 | 119.7° | 155.0° |
| C70 | N2 | C69 | H116 | 0.3° | 34.8° |
| N2 | C70 | C71 | H118 | 179.8° | 90.0° |
| N2 | C70 | C71 | H119 | 59.8° | 150.0° |
| N2 | C70 | C71 | H120 | 60.2° | 30.0° |
| C71 | C70 | N2 | H117 | 0.5° | 0.0° |
| C70 | C71 | H118 | H119 | 120.0° | 120.0° |
| C70 | C71 | H118 | H120 | 120.0° | 120.1° |
| C70 | C71 | H119 | H120 | 120.0° | 120.0° |
| O42 | C70 | N2 | H117 | 179.7° | 180.0° |
| O42 | C70 | C71 | H118 | 0.0° | 90.0° |
| O42 | C70 | C71 | H119 | 120.0° | 30.0° |
| O42 | C70 | C71 | H120 | 120.0° | 150.0° |
| C1 | C69 | N2 | H117 | 60.3° | 25.0° |
| C69 | C1 | C2 | H3 | 61.8° | 63.0° |
| C69 | C1 | O1 | H1 | 58.5° | 60.4° |
| C1 | C69 | C35 | H59 | 62.8° | 62.4° |
| C4 | C20 | C19 | H31 | 66.4° | 63.0° |
| C20 | C4 | C3 | H4 | 62.7° | 62.4° |
| C20 | C4 | O3 | H6 | 58.3° | 179.7° |
| C12 | C8 | C7 | H10 | 175.5° | 177.7° |
| C8 | C12 | C11 | H17 | 74.1° | 63.0° |
| C12 | C8 | O6 | H12 | 56.6° | 179.7° |
| C14 | C18 | C17 | H27 | 73.1° | 62.9° |
| C18 | C14 | C13 | H20 | 176.7° | 177.6° |
| C18 | C14 | O11 | H22 | 57.5° | 179.9° |
| C14 | C18 | O15 | H30 | 56.5° | 60.0° |
| O24 | C21 | C22 | H35 | 174.1° | 177.6° |
| C21 | O24 | C31 | H49 | 64.6° | 58.8° |
| O20 | C23 | C24 | H37 | 171.9° | 177.6° |
| C23 | O20 | C27 | H41 | 56.7° | 58.8° |
| C68 | C65 | N1 | H110 | 55.1° | 24.7° |
| C65 | C68 | C36 | H60 | 65.2° | 63.0° |
| C68 | C65 | C39 | H65 | 178.0° | 177.5° |
| C65 | C68 | O41 | H115 | 59.6° | 60.4° |
| H10 | C7 | C8 | H11 | 65.9° | 62.4° |
| H13 | C9 | C10 | H14 | 53.0° | 65.1° |
| H13 | C9 | C10 | H15 | 66.8° | 175.0° |
| H13 | C9 | C11 | H17 | 176.4° | 177.7° |
| H14 | C10 | O8 | H16 | 59.9° | 60.0° |
| H15 | C10 | O8 | H16 | 59.9° | 60.0° |
| H17 | C11 | C12 | H19 | 163.7° | 177.0° |
| H17 | C11 | O9 | H18 | 61.5° | 60.2° |
| H21 | C14 | C18 | H29 | 47.8° | 57.0° |
| H21 | C14 | C13 | H20 | 64.9° | 62.4° |
| H21 | C14 | O11 | H22 | 61.5° | 59.8° |
| H23 | C15 | C17 | H27 | 172.3° | 177.7° |
| H23 | C15 | C16 | H24 | 178.5° | 65.1° |
| H23 | C15 | C16 | H25 | 58.9° | 175.0° |
| H31 | C19 | C20 | H33 | 172.8° | 177.1° |
| H31 | C19 | C5 | H7 | 175.6° | 177.6° |
| H31 | C19 | O16 | H32 | 60.9° | 59.9° |
| H29 | C18 | C17 | H27 | 167.9° | 177.2° |
| H29 | C18 | O15 | H30 | 61.5° | 60.2° |
| H27 | C17 | O14 | H28 | 61.6° | 59.8° |
| H24 | C16 | O13 | H26 | 59.8° | 60.1° |
| H25 | C16 | O13 | H26 | 59.8° | 60.0° |
| H33 | C20 | C4 | H5 | 51.6° | 57.0° |
| H19 | C12 | C8 | H11 | 39.9° | 57.0° |
| H34 | C21 | C22 | H35 | 68.8° | 62.5° |
| H35 | C22 | C29 | H47 | 58.6° | 57.0° |
| H110 | N1 | C65 | H109 | 174.4° | 144.9° |
| H36 | C23 | C24 | H37 | 70.0° | 62.4° |
| H37 | C24 | C25 | H39 | 47.0° | 57.0° |
| H37 | C24 | O19 | H38 | 61.8° | 60.1° |
| H39 | C25 | C26 | H40 | 169.6° | 177.2° |
| H39 | C25 | O23 | H46 | 62.2° | 60.2° |
| H40 | C26 | C27 | H41 | 174.3° | 177.7° |
| H40 | C26 | O22 | H45 | 60.8° | 60.1° |
| H11 | C8 | O6 | H12 | 61.7° | 60.2° |
| H41 | C27 | C28 | H42 | 62.9° | 65.0° |
| H41 | C27 | C28 | H43 | 177.6° | 175.0° |
| H42 | C28 | O21 | H44 | 59.7° | 60.0° |
| H43 | C28 | O21 | H44 | 59.8° | 60.0° |
| H47 | C29 | C30 | H48 | 180.0° | 177.3° |
| H47 | C29 | O27 | H54 | 62.4° | 59.8° |
| H48 | C30 | C31 | H49 | 173.7° | 177.7° |
| H48 | C30 | O26 | H53 | 60.4° | 59.8° |
| H7 | C5 | C6 | H8 | 65.1° | 65.0° |
| H7 | C5 | C6 | H9 | 55.2° | 175.0° |
| H49 | C31 | C32 | H50 | 60.4° | 65.0° |
| H49 | C31 | C32 | H51 | 179.8° | 175.0° |
| H2 | C1 | C2 | H3 | 179.7° | 177.1° |
| H2 | C1 | O1 | H1 | 59.3° | 59.8° |
| H2 | C1 | C69 | H116 | 178.6° | 177.1° |
| H117 | N2 | C69 | H116 | 179.7° | 145.2° |
| H4 | C3 | C4 | H5 | 56.1° | 57.6° |
| H5 | C4 | O3 | H6 | 60.8° | 60.1° |
| H3 | C2 | C33 | H55 | 177.8° | 177.7° |
| H50 | C32 | O25 | H52 | 59.7° | 60.0° |
| H51 | C32 | O25 | H52 | 59.7° | 60.0° |
| H55 | C33 | C34 | H56 | 60.6° | 64.1° |
| H55 | C33 | C34 | H57 | 179.9° | 175.9° |
| H56 | C34 | O28 | H58 | 59.7° | 59.9° |
| H57 | C34 | O28 | H58 | 59.7° | 60.0° |
| H59 | C35 | C69 | H116 | 179.5° | 177.7° |
| H60 | C36 | C37 | H61 | 174.1° | 177.7° |
| H60 | C36 | C68 | H114 | 176.1° | 177.2° |
| H61 | C37 | C38 | H62 | 62.5° | 64.2° |
| H61 | C37 | C38 | H63 | 178.2° | 175.8° |
| H62 | C38 | O31 | H64 | 59.7° | 60.1° |
| H63 | C38 | O31 | H64 | 59.7° | 60.0° |
| H65 | C39 | C65 | H109 | 64.9° | 57.7° |
| H66 | C40 | C41 | H68 | 178.6° | 60.0° |
| H66 | C40 | C41 | H69 | 63.6° | 180.0° |
| H67 | C40 | C41 | H68 | 58.5° | 180.0° |
| H67 | C40 | C41 | H69 | 176.3° | 60.0° |
| H68 | C41 | C42 | H70 | 179.1° | 175.0° |
| H69 | C41 | C42 | H70 | 63.1° | 64.9° |
| H70 | C42 | C43 | H71 | 63.2° | 60.0° |
| H70 | C42 | C43 | H72 | 56.8° | 60.0° |
| H70 | C42 | C43 | H73 | 176.8° | 180.0° |
| H70 | C42 | C44 | H74 | 176.5° | 175.0° |
| H70 | C42 | C44 | H75 | 64.9° | 64.9° |
| H71 | C43 | H72 | H73 | 120.0° | 120.1° |
| H74 | C44 | C45 | H76 | 166.1° | 180.0° |
| H74 | C44 | C45 | H77 | 74.7° | 60.0° |
| H75 | C44 | C45 | H76 | 47.6° | 60.0° |
| H75 | C44 | C45 | H77 | 166.8° | 180.0° |
| H76 | C45 | C46 | H78 | 152.2° | 174.1° |
| H77 | C45 | C46 | H78 | 88.6° | 65.8° |
| H79 | C48 | C49 | H81 | 179.2° | 179.9° |
| H79 | C48 | C49 | H82 | 60.5° | 60.0° |
| H80 | C48 | C49 | H81 | 61.7° | 60.0° |
| H80 | C48 | C49 | H82 | 179.7° | 179.9° |
| H81 | C49 | C50 | H83 | 71.3° | 58.9° |
| H82 | C49 | C50 | H83 | 170.1° | 178.9° |
| H84 | C52 | H85 | H86 | 120.0° | 120.0° |
| H87 | C53 | C54 | H89 | 178.1° | 180.0° |
| H87 | C53 | C54 | H90 | 59.3° | 60.0° |
| H88 | C53 | C54 | H89 | 63.2° | 60.0° |
| H88 | C53 | C54 | H90 | 178.0° | 180.0° |
| H89 | C54 | C55 | H91 | 14.4° | 174.8° |
| H90 | C54 | C55 | H91 | 133.2° | 65.2° |
| H92 | C57 | C58 | H94 | 81.5° | 180.0° |
| H92 | C57 | C58 | H95 | 159.8° | 60.0° |
| H93 | C57 | C58 | H94 | 36.2° | 60.0° |
| H93 | C57 | C58 | H95 | 82.5° | 180.0° |
| H94 | C58 | C59 | H96 | 177.2° | 175.0° |
| H95 | C58 | C59 | H96 | 58.5° | 65.0° |
| H97 | C61 | H98 | H99 | 120.0° | 120.0° |
| H100 | C62 | H101 | H102 | 120.0° | 120.0° |
| H103 | C63 | H104 | H105 | 120.0° | 120.0° |
| H106 | C64 | H107 | H108 | 120.0° | 120.0° |
| H109 | C65 | C68 | H114 | 177.0° | 177.2° |
| H111 | C67 | H112 | H113 | 120.0° | 120.1° |
| H114 | C68 | O41 | H115 | 59.5° | 59.8° |
| H118 | C71 | H119 | H120 | 120.0° | 120.0° |
