PRD_002420
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O4 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.41Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O9 | sing | 1.43Å | 1.42Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | O6 | sing | 1.43Å | 1.43Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O7 | sing | 1.43Å | 1.42Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | O8 | sing | 1.43Å | 1.42Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | O9 | sing | 1.43Å | 1.46Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | O10 | sing | 1.43Å | 1.42Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| O7 | H17 | sing | 0.97Å | 0.95Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å | |
| O10 | H19 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O13 | sing | 1.43Å | 1.42Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | N1 | sing | 1.47Å | 1.46Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O11 | sing | 1.43Å | 1.42Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O12 | sing | 1.43Å | 1.42Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | O13 | sing | 1.43Å | 1.43Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | O14 | sing | 1.43Å | 1.42Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | N1 | sing | 1.35Å | 1.34Å | |
| C19 | O15 | doub | 1.21Å | 1.23Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| O11 | H31 | sing | 0.97Å | 0.95Å | |
| O14 | H32 | sing | 0.97Å | 0.95Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | O19 | sing | 1.43Å | 1.45Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O16 | sing | 1.43Å | 1.41Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | O17 | sing | 1.43Å | 1.42Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | O18 | sing | 1.43Å | 1.42Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | O19 | sing | 1.43Å | 1.45Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | O20 | sing | 1.43Å | 1.43Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| O16 | H40 | sing | 0.97Å | 0.95Å | |
| O17 | H41 | sing | 0.97Å | 0.95Å | |
| O18 | H42 | sing | 0.97Å | 0.95Å | |
| C27 | C28 | sing | 1.51Å | 1.59Å | |
| C27 | O21 | doub | 1.21Å | 1.26Å | |
| C27 | O22 | sing | 1.34Å | 1.25Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | O24 | sing | 1.43Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | O23 | sing | 1.43Å | 1.44Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | N2 | sing | 1.46Å | 1.46Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | O24 | sing | 1.43Å | 1.43Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | O25 | sing | 1.43Å | 1.42Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | O26 | sing | 1.43Å | 1.43Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | O27 | sing | 1.43Å | 1.43Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | N2 | sing | 1.35Å | 1.36Å | |
| C36 | O28 | doub | 1.21Å | 1.23Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| N2 | H55 | sing | 0.97Å | 1.00Å | |
| O22 | H56 | sing | 0.97Å | 0.95Å | |
| O23 | H57 | sing | 0.97Å | 0.95Å | |
| O25 | H58 | sing | 0.97Å | 0.95Å | |
| O26 | H59 | sing | 0.97Å | 0.95Å | |
| O27 | H60 | sing | 0.97Å | 0.95Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | O32 | sing | 1.43Å | 1.42Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | O29 | sing | 1.43Å | 1.43Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C40 | O30 | sing | 1.43Å | 1.42Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | O31 | sing | 1.43Å | 1.42Å | |
| C41 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | O32 | sing | 1.43Å | 1.46Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | O33 | sing | 1.43Å | 1.43Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| O30 | H68 | sing | 0.97Å | 0.95Å | |
| O31 | H69 | sing | 0.97Å | 0.95Å | |
| O33 | H70 | sing | 0.97Å | 0.95Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | O36 | sing | 1.43Å | 1.41Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | N3 | sing | 1.46Å | 1.45Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | O34 | sing | 1.43Å | 1.42Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | O35 | sing | 1.43Å | 1.42Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| C48 | O36 | sing | 1.43Å | 1.43Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | O37 | sing | 1.43Å | 1.42Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| C49 | H77 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.51Å | 1.50Å | |
| C50 | N3 | sing | 1.35Å | 1.34Å | |
| C50 | O38 | doub | 1.21Å | 1.23Å | |
| C51 | H78 | sing | 1.09Å | 1.10Å | |
| C51 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| N3 | H81 | sing | 0.97Å | 1.00Å | |
| O34 | H82 | sing | 0.97Å | 0.95Å | |
| O37 | H83 | sing | 0.97Å | 0.95Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | O42 | sing | 1.43Å | 1.41Å | |
| C52 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | O39 | sing | 1.43Å | 1.42Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | O40 | sing | 1.43Å | 1.42Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | O41 | sing | 1.43Å | 1.42Å | |
| C55 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | O42 | sing | 1.43Å | 1.44Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C57 | O43 | sing | 1.43Å | 1.42Å | |
| C57 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| O39 | H91 | sing | 0.97Å | 0.95Å | |
| O40 | H92 | sing | 0.97Å | 0.95Å | |
| O41 | H93 | sing | 0.97Å | 0.95Å | |
| C58 | C59 | sing | 1.51Å | 1.59Å | |
| C58 | O44 | doub | 1.21Å | 1.25Å | |
| C58 | O45 | sing | 1.34Å | 1.26Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C59 | O47 | sing | 1.43Å | 1.47Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | H94 | sing | 1.09Å | 1.10Å | |
| C60 | H95 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C61 | O46 | sing | 1.43Å | 1.44Å | |
| C61 | H96 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.55Å | |
| C62 | N4 | sing | 1.46Å | 1.48Å | |
| C62 | H97 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.55Å | |
| C63 | O47 | sing | 1.43Å | 1.42Å | |
| C63 | H98 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.55Å | |
| C64 | O48 | sing | 1.43Å | 1.42Å | |
| C64 | H99 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | O49 | sing | 1.43Å | 1.43Å | |
| C65 | H100 | sing | 1.09Å | 1.10Å | |
| C66 | O50 | sing | 1.43Å | 1.43Å | |
| C66 | H101 | sing | 1.09Å | 1.10Å | |
| C66 | H102 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.51Å | 1.53Å | |
| C67 | N4 | sing | 1.35Å | 1.37Å | |
| C67 | O51 | doub | 1.21Å | 1.23Å | |
| C68 | H103 | sing | 1.09Å | 1.10Å | |
| C68 | H104 | sing | 1.09Å | 1.10Å | |
| C68 | H105 | sing | 1.09Å | 1.10Å | |
| N4 | H106 | sing | 0.97Å | 1.00Å | |
| O45 | H107 | sing | 0.97Å | 0.95Å | |
| O46 | H108 | sing | 0.97Å | 0.95Å | |
| O48 | H109 | sing | 0.97Å | 0.95Å | |
| O49 | H110 | sing | 0.97Å | 0.95Å | |
| O50 | H111 | sing | 0.97Å | 0.95Å | |
| C69 | C70 | sing | 1.53Å | 1.36Å | |
| C69 | O52 | sing | 1.44Å | 1.48Å | |
| C69 | O55 | sing | 1.40Å | 1.61Å | |
| C69 | H112 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.52Å | 1.57Å | |
| C70 | N5 | sing | 1.48Å | 1.52Å | |
| C70 | H113 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.52Å | 1.49Å | |
| C71 | O53 | sing | 1.43Å | 1.40Å | |
| C71 | H114 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.53Å | 1.48Å | |
| C72 | O54 | sing | 1.43Å | 1.46Å | |
| C72 | H115 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | sing | 1.53Å | 1.55Å | |
| C73 | O55 | sing | 1.42Å | 1.39Å | |
| C73 | H116 | sing | 1.09Å | 1.10Å | |
| C74 | O56 | sing | 1.43Å | 1.40Å | |
| C74 | H117 | sing | 1.09Å | 1.10Å | |
| C74 | H118 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.51Å | 1.51Å | |
| C75 | N5 | doub | 1.29Å | 1.34Å | |
| C75 | O52 | sing | 1.35Å | 1.51Å | |
| C76 | H119 | sing | 1.09Å | 1.10Å | |
| C76 | H120 | sing | 1.09Å | 1.10Å | |
| C76 | H121 | sing | 1.09Å | 1.10Å | |
| N5 | H122 | sing | 0.97Å | 1.00Å | |
| O53 | H123 | sing | 0.97Å | 0.95Å | |
| O56 | H124 | sing | 0.97Å | 0.95Å | |
| O2 | C7 | sing | 1.43Å | 1.44Å | |
| O5 | C38 | sing | 1.43Å | 1.44Å | |
| O6 | C13 | sing | 1.43Å | 1.45Å | |
| O12 | C21 | sing | 1.43Å | 1.46Å | |
| O20 | C28 | sing | 1.43Å | 1.41Å | |
| O29 | C44 | sing | 1.43Å | 1.44Å | |
| O35 | C52 | sing | 1.43Å | 1.43Å | |
| O43 | C59 | sing | 1.43Å | 1.54Å | |
| C1 | O54 | sing | 1.43Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O4 | 111.8° | 109.4° |
| C2 | C1 | H1 | 111.0° | 109.5° |
| C1 | C2 | C3 | 111.1° | 109.2° |
| C1 | C2 | O1 | 110.5° | 109.6° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C2 | C1 | O54 | 99.9° | 109.5° |
| O4 | C1 | H1 | 112.8° | 109.5° |
| C1 | O4 | C5 | 114.1° | 114.1° |
| O4 | C1 | O54 | 107.2° | 109.5° |
| H1 | C1 | O54 | 113.5° | 109.5° |
| C3 | C2 | O1 | 106.4° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C2 | C3 | C4 | 112.3° | 109.0° |
| C2 | C3 | O2 | 109.6° | 109.6° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| O1 | C2 | H2 | 110.7° | 109.6° |
| C2 | O1 | H8 | 109.5° | 114.0° |
| C4 | C3 | O2 | 109.0° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| C3 | C4 | C5 | 111.1° | 109.2° |
| C3 | C4 | O3 | 110.3° | 109.5° |
| C3 | C4 | H4 | 108.2° | 109.6° |
| O2 | C3 | H3 | 109.7° | 109.6° |
| C3 | O2 | C7 | 111.0° | 114.0° |
| C5 | C4 | O3 | 109.1° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C4 | C5 | O4 | 108.0° | 109.4° |
| C4 | C5 | H5 | 109.3° | 109.5° |
| O3 | C4 | H4 | 109.8° | 109.5° |
| C4 | O3 | H9 | 109.5° | 114.0° |
| C6 | C5 | O4 | 107.8° | 109.5° |
| C6 | C5 | H5 | 109.6° | 109.5° |
| C5 | C6 | O5 | 109.4° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| O4 | C5 | H5 | 110.7° | 109.5° |
| O5 | C6 | H6 | 109.5° | 109.4° |
| O5 | C6 | H7 | 109.5° | 109.4° |
| C6 | O5 | C38 | 108.3° | 114.0° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| C8 | C7 | O9 | 111.8° | 109.4° |
| C8 | C7 | H10 | 108.5° | 109.5° |
| C7 | C8 | C9 | 108.1° | 109.1° |
| C7 | C8 | O6 | 111.6° | 109.5° |
| C7 | C8 | H11 | 109.8° | 109.5° |
| C8 | C7 | O2 | 105.3° | 109.5° |
| O9 | C7 | H10 | 110.0° | 109.5° |
| C7 | O9 | C11 | 116.1° | 114.1° |
| O9 | C7 | O2 | 111.4° | 109.5° |
| H10 | C7 | O2 | 109.7° | 109.5° |
| C9 | C8 | O6 | 106.1° | 109.5° |
| C9 | C8 | H11 | 109.9° | 109.6° |
| C8 | C9 | C10 | 109.9° | 109.1° |
| C8 | C9 | O7 | 112.1° | 109.6° |
| C8 | C9 | H12 | 107.6° | 109.6° |
| O6 | C8 | H11 | 111.2° | 109.6° |
| C8 | O6 | C13 | 106.6° | 114.0° |
| C10 | C9 | O7 | 110.7° | 109.5° |
| C10 | C9 | H12 | 107.5° | 109.5° |
| C9 | C10 | C11 | 110.2° | 109.2° |
| C9 | C10 | O8 | 110.0° | 109.6° |
| C9 | C10 | H13 | 108.6° | 109.6° |
| O7 | C9 | H12 | 108.9° | 109.6° |
| C9 | O7 | H17 | 109.5° | 114.0° |
| C11 | C10 | O8 | 109.3° | 109.5° |
| C11 | C10 | H13 | 108.6° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C10 | C11 | O9 | 110.1° | 109.4° |
| C10 | C11 | H14 | 108.6° | 109.5° |
| O8 | C10 | H13 | 110.2° | 109.5° |
| C10 | O8 | H18 | 109.5° | 114.1° |
| C12 | C11 | O9 | 107.5° | 109.5° |
| C12 | C11 | H14 | 108.8° | 109.5° |
| C11 | C12 | O10 | 108.9° | 109.5° |
| C11 | C12 | H15 | 109.6° | 109.5° |
| C11 | C12 | H16 | 109.6° | 109.5° |
| O9 | C11 | H14 | 109.7° | 109.5° |
| O10 | C12 | H15 | 109.6° | 109.4° |
| O10 | C12 | H16 | 109.6° | 109.5° |
| C12 | O10 | H19 | 109.5° | 114.0° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| C14 | C13 | O13 | 109.4° | 109.4° |
| C14 | C13 | H20 | 108.5° | 109.5° |
| C13 | C14 | C15 | 110.1° | 109.2° |
| C13 | C14 | N1 | 111.3° | 109.5° |
| C13 | C14 | H21 | 107.9° | 109.6° |
| C14 | C13 | O6 | 109.3° | 109.5° |
| O13 | C13 | H20 | 109.9° | 109.5° |
| C13 | O13 | C17 | 112.5° | 114.1° |
| O13 | C13 | O6 | 110.1° | 109.5° |
| H20 | C13 | O6 | 109.6° | 109.5° |
| C15 | C14 | N1 | 110.8° | 109.5° |
| C15 | C14 | H21 | 107.8° | 109.5° |
| C14 | C15 | C16 | 110.7° | 109.0° |
| C14 | C15 | O11 | 107.7° | 109.6° |
| C14 | C15 | H22 | 108.6° | 109.6° |
| N1 | C14 | H21 | 108.8° | 109.5° |
| C14 | N1 | C19 | 122.9° | 120.0° |
| C14 | N1 | H30 | 118.5° | 120.0° |
| C16 | C15 | O11 | 111.0° | 109.5° |
| C16 | C15 | H22 | 108.7° | 109.5° |
| C15 | C16 | C17 | 110.7° | 109.2° |
| C15 | C16 | O12 | 112.3° | 109.5° |
| C15 | C16 | H23 | 109.1° | 109.5° |
| O11 | C15 | H22 | 110.1° | 109.6° |
| C15 | O11 | H31 | 109.5° | 114.0° |
| C17 | C16 | O12 | 105.0° | 109.5° |
| C17 | C16 | H23 | 109.1° | 109.5° |
| C16 | C17 | C18 | 113.5° | 109.5° |
| C16 | C17 | O13 | 111.0° | 109.4° |
| C16 | C17 | H24 | 108.0° | 109.5° |
| O12 | C16 | H23 | 110.5° | 109.6° |
| C16 | O12 | C21 | 124.3° | 114.0° |
| C18 | C17 | O13 | 106.6° | 109.4° |
| C18 | C17 | H24 | 108.3° | 109.5° |
| C17 | C18 | O14 | 111.6° | 109.5° |
| C17 | C18 | H25 | 108.9° | 109.5° |
| C17 | C18 | H26 | 109.0° | 109.5° |
| O13 | C17 | H24 | 109.3° | 109.5° |
| O14 | C18 | H25 | 108.9° | 109.4° |
| O14 | C18 | H26 | 108.9° | 109.5° |
| C18 | O14 | H32 | 109.5° | 114.0° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| C20 | C19 | N1 | 116.0° | 120.0° |
| C20 | C19 | O15 | 122.0° | 120.0° |
| C19 | C20 | H27 | 109.5° | 109.4° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C19 | C20 | H29 | 109.5° | 109.5° |
| N1 | C19 | O15 | 122.0° | 120.0° |
| C19 | N1 | H30 | 118.6° | 120.1° |
| H27 | C20 | H28 | 109.4° | 109.5° |
| H27 | C20 | H29 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| C22 | C21 | O19 | 108.2° | 109.4° |
| C22 | C21 | H33 | 107.7° | 109.5° |
| C21 | C22 | C23 | 109.5° | 109.2° |
| C21 | C22 | O16 | 113.3° | 109.5° |
| C21 | C22 | H34 | 108.5° | 109.5° |
| C22 | C21 | O12 | 116.1° | 109.5° |
| O19 | C21 | H33 | 109.1° | 109.5° |
| C21 | O19 | C25 | 116.9° | 114.1° |
| O19 | C21 | O12 | 106.6° | 109.5° |
| H33 | C21 | O12 | 109.0° | 109.5° |
| C23 | C22 | O16 | 105.8° | 109.6° |
| C23 | C22 | H34 | 109.0° | 109.6° |
| C22 | C23 | C24 | 109.7° | 109.0° |
| C22 | C23 | O17 | 111.7° | 109.5° |
| C22 | C23 | H35 | 108.7° | 109.5° |
| O16 | C22 | H34 | 110.6° | 109.5° |
| C22 | O16 | H40 | 109.5° | 114.1° |
| C24 | C23 | O17 | 107.7° | 109.6° |
| C24 | C23 | H35 | 108.8° | 109.5° |
| C23 | C24 | C25 | 108.0° | 109.2° |
| C23 | C24 | O18 | 110.1° | 109.5° |
| C23 | C24 | H36 | 109.1° | 109.5° |
| O17 | C23 | H35 | 110.1° | 109.6° |
| C23 | O17 | H41 | 109.5° | 114.0° |
| C25 | C24 | O18 | 109.9° | 109.5° |
| C25 | C24 | H36 | 109.1° | 109.5° |
| C24 | C25 | C26 | 113.9° | 109.5° |
| C24 | C25 | O19 | 112.2° | 109.4° |
| C24 | C25 | H37 | 108.0° | 109.5° |
| O18 | C24 | H36 | 110.5° | 109.6° |
| C24 | O18 | H42 | 109.5° | 114.0° |
| C26 | C25 | O19 | 105.7° | 109.5° |
| C26 | C25 | H37 | 107.9° | 109.5° |
| C25 | C26 | O20 | 111.6° | 109.5° |
| C25 | C26 | H38 | 108.9° | 109.5° |
| C25 | C26 | H39 | 108.9° | 109.5° |
| O19 | C25 | H37 | 108.9° | 109.5° |
| O20 | C26 | H38 | 108.9° | 109.5° |
| O20 | C26 | H39 | 109.0° | 109.4° |
| C26 | O20 | C28 | 144.6° | 114.0° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| C28 | C27 | O21 | 112.0° | 120.0° |
| C28 | C27 | O22 | 118.6° | 120.0° |
| C27 | C28 | C29 | 115.6° | 109.5° |
| C27 | C28 | O24 | 110.7° | 109.5° |
| C27 | C28 | O20 | 109.9° | 109.4° |
| O21 | C27 | O22 | 129.4° | 120.0° |
| C27 | O22 | H56 | 109.5° | 117.0° |
| C29 | C28 | O24 | 109.5° | 109.5° |
| C28 | C29 | C30 | 113.1° | 109.2° |
| C28 | C29 | H43 | 108.6° | 109.5° |
| C28 | C29 | H44 | 108.6° | 109.5° |
| C29 | C28 | O20 | 110.3° | 109.5° |
| C28 | O24 | C32 | 120.5° | 114.1° |
| O24 | C28 | O20 | 99.6° | 109.5° |
| C30 | C29 | H43 | 108.6° | 109.5° |
| C30 | C29 | H44 | 108.6° | 109.5° |
| C29 | C30 | C31 | 109.2° | 109.0° |
| C29 | C30 | O23 | 112.5° | 109.6° |
| C29 | C30 | H45 | 108.7° | 109.6° |
| H43 | C29 | H44 | 109.5° | 109.5° |
| C31 | C30 | O23 | 107.8° | 109.5° |
| C31 | C30 | H45 | 108.7° | 109.5° |
| C30 | C31 | C32 | 110.7° | 109.2° |
| C30 | C31 | N2 | 110.4° | 109.6° |
| C30 | C31 | H46 | 108.5° | 109.5° |
| O23 | C30 | H45 | 109.9° | 109.7° |
| C30 | O23 | H57 | 109.5° | 114.0° |
| C32 | C31 | N2 | 109.7° | 109.5° |
| C32 | C31 | H46 | 108.2° | 109.5° |
| C31 | C32 | C33 | 111.0° | 109.5° |
| C31 | C32 | O24 | 112.7° | 109.4° |
| C31 | C32 | H47 | 108.9° | 109.5° |
| N2 | C31 | H46 | 109.3° | 109.6° |
| C31 | N2 | C36 | 125.9° | 120.0° |
| C31 | N2 | H55 | 117.0° | 120.0° |
| C33 | C32 | O24 | 104.5° | 109.5° |
| C33 | C32 | H47 | 109.0° | 109.5° |
| C32 | C33 | C34 | 112.1° | 109.5° |
| C32 | C33 | O25 | 109.7° | 109.5° |
| C32 | C33 | H48 | 107.2° | 109.4° |
| O24 | C32 | H47 | 110.6° | 109.4° |
| C34 | C33 | O25 | 111.7° | 109.5° |
| C34 | C33 | H48 | 107.2° | 109.5° |
| C33 | C34 | C35 | 111.3° | 109.4° |
| C33 | C34 | O26 | 110.1° | 109.5° |
| C33 | C34 | H49 | 107.4° | 109.5° |
| O25 | C33 | H48 | 108.8° | 109.5° |
| C33 | O25 | H58 | 109.5° | 114.0° |
| C35 | C34 | O26 | 111.5° | 109.5° |
| C35 | C34 | H49 | 107.6° | 109.5° |
| C34 | C35 | O27 | 109.3° | 109.4° |
| C34 | C35 | H50 | 109.5° | 109.5° |
| C34 | C35 | H51 | 109.5° | 109.5° |
| O26 | C34 | H49 | 108.9° | 109.5° |
| C34 | O26 | H59 | 109.5° | 114.0° |
| O27 | C35 | H50 | 109.5° | 109.4° |
| O27 | C35 | H51 | 109.5° | 109.5° |
| C35 | O27 | H60 | 109.5° | 114.0° |
| H50 | C35 | H51 | 109.5° | 109.5° |
| C37 | C36 | N2 | 115.2° | 120.0° |
| C37 | C36 | O28 | 120.6° | 120.0° |
| C36 | C37 | H52 | 109.5° | 109.5° |
| C36 | C37 | H53 | 109.5° | 109.5° |
| C36 | C37 | H54 | 109.4° | 109.5° |
| N2 | C36 | O28 | 124.2° | 120.0° |
| C36 | N2 | H55 | 117.0° | 120.0° |
| H52 | C37 | H53 | 109.5° | 109.4° |
| H52 | C37 | H54 | 109.5° | 109.4° |
| H53 | C37 | H54 | 109.5° | 109.5° |
| C39 | C38 | O32 | 111.8° | 109.4° |
| C39 | C38 | H61 | 108.1° | 109.4° |
| C38 | C39 | C40 | 108.3° | 109.1° |
| C38 | C39 | O29 | 111.5° | 109.5° |
| C38 | C39 | H62 | 110.2° | 109.6° |
| C39 | C38 | O5 | 106.6° | 109.5° |
| O32 | C38 | H61 | 109.5° | 109.5° |
| C38 | O32 | C42 | 115.7° | 114.1° |
| O32 | C38 | O5 | 111.3° | 109.5° |
| H61 | C38 | O5 | 109.3° | 109.5° |
| C40 | C39 | O29 | 104.2° | 109.5° |
| C40 | C39 | H62 | 110.6° | 109.5° |
| C39 | C40 | C41 | 109.4° | 109.0° |
| C39 | C40 | O30 | 111.6° | 109.6° |
| C39 | C40 | H63 | 108.1° | 109.5° |
| O29 | C39 | H62 | 111.9° | 109.6° |
| C39 | O29 | C44 | 109.3° | 114.0° |
| C41 | C40 | O30 | 110.7° | 109.6° |
| C41 | C40 | H63 | 107.7° | 109.5° |
| C40 | C41 | C42 | 109.6° | 109.2° |
| C40 | C41 | O31 | 109.9° | 109.5° |
| C40 | C41 | H64 | 108.8° | 109.5° |
| O30 | C40 | H63 | 109.2° | 109.7° |
| C40 | O30 | H68 | 109.5° | 114.0° |
| C42 | C41 | O31 | 109.5° | 109.5° |
| C42 | C41 | H64 | 108.6° | 109.5° |
| C41 | C42 | C43 | 113.3° | 109.5° |
| C41 | C42 | O32 | 109.7° | 109.4° |
| C41 | C42 | H65 | 107.9° | 109.5° |
| O31 | C41 | H64 | 110.4° | 109.6° |
| C41 | O31 | H69 | 109.5° | 114.0° |
| C43 | C42 | O32 | 108.8° | 109.5° |
| C43 | C42 | H65 | 108.0° | 109.5° |
| C42 | C43 | O33 | 109.5° | 109.4° |
| C42 | C43 | H66 | 109.5° | 109.5° |
| C42 | C43 | H67 | 109.5° | 109.5° |
| O32 | C42 | H65 | 109.0° | 109.5° |
| O33 | C43 | H66 | 109.5° | 109.5° |
| O33 | C43 | H67 | 109.5° | 109.5° |
| C43 | O33 | H70 | 109.5° | 114.0° |
| H66 | C43 | H67 | 109.5° | 109.5° |
| C45 | C44 | O36 | 109.5° | 109.4° |
| C45 | C44 | H71 | 108.7° | 109.5° |
| C44 | C45 | C46 | 110.3° | 109.1° |
| C44 | C45 | N3 | 111.0° | 109.5° |
| C44 | C45 | H72 | 108.1° | 109.5° |
| C45 | C44 | O29 | 107.3° | 109.4° |
| O36 | C44 | H71 | 110.2° | 109.5° |
| C44 | O36 | C48 | 112.7° | 114.1° |
| O36 | C44 | O29 | 111.4° | 109.5° |
| H71 | C44 | O29 | 109.7° | 109.5° |
| C46 | C45 | N3 | 110.5° | 109.5° |
| C46 | C45 | H72 | 108.0° | 109.5° |
| C45 | C46 | C47 | 111.7° | 109.1° |
| C45 | C46 | O34 | 108.6° | 109.5° |
| C45 | C46 | H73 | 108.5° | 109.5° |
| N3 | C45 | H72 | 108.9° | 109.7° |
| C45 | N3 | C50 | 123.2° | 120.0° |
| C45 | N3 | H81 | 118.4° | 120.0° |
| C47 | C46 | O34 | 109.7° | 109.5° |
| C47 | C46 | H73 | 108.5° | 109.6° |
| C46 | C47 | C48 | 112.2° | 109.1° |
| C46 | C47 | O35 | 108.7° | 109.5° |
| C46 | C47 | H74 | 109.5° | 109.6° |
| O34 | C46 | H73 | 109.9° | 109.6° |
| C46 | O34 | H82 | 109.5° | 114.1° |
| C48 | C47 | O35 | 106.1° | 109.5° |
| C48 | C47 | H74 | 109.4° | 109.5° |
| C47 | C48 | C49 | 112.7° | 109.5° |
| C47 | C48 | O36 | 111.2° | 109.5° |
| C47 | C48 | H75 | 108.2° | 109.4° |
| O35 | C47 | H74 | 111.0° | 109.6° |
| C47 | O35 | C52 | 115.0° | 114.0° |
| C49 | C48 | O36 | 106.7° | 109.4° |
| C49 | C48 | H75 | 108.5° | 109.4° |
| C48 | C49 | O37 | 111.3° | 109.5° |
| C48 | C49 | H76 | 109.0° | 109.5° |
| C48 | C49 | H77 | 109.0° | 109.5° |
| O36 | C48 | H75 | 109.5° | 109.6° |
| O37 | C49 | H76 | 109.0° | 109.5° |
| O37 | C49 | H77 | 109.0° | 109.5° |
| C49 | O37 | H83 | 109.5° | 114.0° |
| H76 | C49 | H77 | 109.5° | 109.4° |
| C51 | C50 | N3 | 116.0° | 120.0° |
| C51 | C50 | O38 | 122.0° | 120.0° |
| C50 | C51 | H78 | 109.5° | 109.5° |
| C50 | C51 | H79 | 109.5° | 109.4° |
| C50 | C51 | H80 | 109.5° | 109.5° |
| N3 | C50 | O38 | 122.0° | 120.0° |
| C50 | N3 | H81 | 118.4° | 120.0° |
| H78 | C51 | H79 | 109.4° | 109.5° |
| H78 | C51 | H80 | 109.5° | 109.5° |
| H79 | C51 | H80 | 109.5° | 109.5° |
| C53 | C52 | O42 | 110.2° | 109.5° |
| C53 | C52 | H84 | 108.1° | 109.4° |
| C52 | C53 | C54 | 112.3° | 109.1° |
| C52 | C53 | O39 | 112.1° | 109.6° |
| C52 | C53 | H85 | 107.9° | 109.5° |
| C53 | C52 | O35 | 106.9° | 109.4° |
| O42 | C52 | H84 | 109.8° | 109.5° |
| C52 | O42 | C56 | 115.5° | 114.1° |
| O42 | C52 | O35 | 112.2° | 109.5° |
| H84 | C52 | O35 | 109.5° | 109.5° |
| C54 | C53 | O39 | 107.2° | 109.5° |
| C54 | C53 | H85 | 107.9° | 109.5° |
| C53 | C54 | C55 | 110.3° | 109.0° |
| C53 | C54 | O40 | 110.9° | 109.5° |
| C53 | C54 | H86 | 109.0° | 109.6° |
| O39 | C53 | H85 | 109.3° | 109.6° |
| C53 | O39 | H91 | 109.5° | 114.0° |
| C55 | C54 | O40 | 107.3° | 109.5° |
| C55 | C54 | H86 | 108.9° | 109.5° |
| C54 | C55 | C56 | 109.7° | 109.1° |
| C54 | C55 | O41 | 110.4° | 109.5° |
| C54 | C55 | H87 | 108.3° | 109.5° |
| O40 | C54 | H86 | 110.5° | 109.6° |
| C54 | O40 | H92 | 109.5° | 114.0° |
| C56 | C55 | O41 | 110.1° | 109.6° |
| C56 | C55 | H87 | 108.4° | 109.5° |
| C55 | C56 | C57 | 114.1° | 109.5° |
| C55 | C56 | O42 | 112.5° | 109.4° |
| C55 | C56 | H88 | 107.9° | 109.5° |
| O41 | C55 | H87 | 109.9° | 109.6° |
| C55 | O41 | H93 | 109.5° | 114.0° |
| C57 | C56 | O42 | 105.0° | 109.5° |
| C57 | C56 | H88 | 108.1° | 109.4° |
| C56 | C57 | O43 | 111.1° | 109.5° |
| C56 | C57 | H89 | 109.1° | 109.5° |
| C56 | C57 | H90 | 109.1° | 109.5° |
| O42 | C56 | H88 | 109.1° | 109.4° |
| O43 | C57 | H89 | 109.1° | 109.4° |
| O43 | C57 | H90 | 109.1° | 109.4° |
| C57 | O43 | C59 | 131.8° | 114.0° |
| H89 | C57 | H90 | 109.4° | 109.5° |
| C59 | C58 | O44 | 117.5° | 120.0° |
| C59 | C58 | O45 | 113.1° | 120.0° |
| C58 | C59 | C60 | 114.4° | 109.5° |
| C58 | C59 | O47 | 109.8° | 109.5° |
| C58 | C59 | O43 | 111.9° | 109.5° |
| O44 | C58 | O45 | 129.5° | 120.0° |
| C58 | O45 | H107 | 109.5° | 117.0° |
| C60 | C59 | O47 | 108.6° | 109.4° |
| C59 | C60 | C61 | 114.2° | 109.2° |
| C59 | C60 | H94 | 108.3° | 109.6° |
| C59 | C60 | H95 | 108.3° | 109.5° |
| C60 | C59 | O43 | 111.3° | 109.5° |
| C59 | O47 | C63 | 116.0° | 114.2° |
| O47 | C59 | O43 | 99.8° | 109.5° |
| C61 | C60 | H94 | 108.3° | 109.6° |
| C61 | C60 | H95 | 108.3° | 109.5° |
| C60 | C61 | C62 | 109.0° | 109.0° |
| C60 | C61 | O46 | 111.9° | 109.6° |
| C60 | C61 | H96 | 108.9° | 109.6° |
| H94 | C60 | H95 | 109.5° | 109.5° |
| C62 | C61 | O46 | 108.0° | 109.5° |
| C62 | C61 | H96 | 108.8° | 109.5° |
| C61 | C62 | C63 | 110.6° | 109.2° |
| C61 | C62 | N4 | 115.5° | 109.5° |
| C61 | C62 | H97 | 106.3° | 109.4° |
| O46 | C61 | H96 | 110.2° | 109.6° |
| C61 | O46 | H108 | 109.5° | 114.0° |
| C63 | C62 | N4 | 110.8° | 109.6° |
| C63 | C62 | H97 | 106.1° | 109.5° |
| C62 | C63 | C64 | 111.4° | 109.5° |
| C62 | C63 | O47 | 111.4° | 109.4° |
| C62 | C63 | H98 | 108.0° | 109.4° |
| N4 | C62 | H97 | 106.9° | 109.6° |
| C62 | N4 | C67 | 134.9° | 120.0° |
| C62 | N4 | H106 | 112.6° | 120.0° |
| C64 | C63 | O47 | 108.3° | 109.5° |
| C64 | C63 | H98 | 108.0° | 109.5° |
| C63 | C64 | C65 | 112.0° | 109.5° |
| C63 | C64 | O48 | 110.5° | 109.5° |
| C63 | C64 | H99 | 106.6° | 109.5° |
| O47 | C63 | H98 | 109.7° | 109.5° |
| C65 | C64 | O48 | 112.6° | 109.5° |
| C65 | C64 | H99 | 106.6° | 109.5° |
| C64 | C65 | C66 | 112.1° | 109.5° |
| C64 | C65 | O49 | 109.9° | 109.5° |
| C64 | C65 | H100 | 107.0° | 109.5° |
| O48 | C64 | H99 | 108.1° | 109.4° |
| C64 | O48 | H109 | 109.5° | 114.0° |
| C66 | C65 | O49 | 111.7° | 109.5° |
| C66 | C65 | H100 | 107.3° | 109.5° |
| C65 | C66 | O50 | 110.0° | 109.5° |
| C65 | C66 | H101 | 109.4° | 109.5° |
| C65 | C66 | H102 | 109.3° | 109.5° |
| O49 | C65 | H100 | 108.6° | 109.4° |
| C65 | O49 | H110 | 109.5° | 114.0° |
| O50 | C66 | H101 | 109.3° | 109.4° |
| O50 | C66 | H102 | 109.3° | 109.4° |
| C66 | O50 | H111 | 109.5° | 114.0° |
| H101 | C66 | H102 | 109.5° | 109.4° |
| C68 | C67 | N4 | 120.0° | 120.0° |
| C68 | C67 | O51 | 118.3° | 120.0° |
| C67 | C68 | H103 | 109.5° | 109.5° |
| C67 | C68 | H104 | 109.5° | 109.5° |
| C67 | C68 | H105 | 109.5° | 109.4° |
| N4 | C67 | O51 | 121.7° | 120.0° |
| C67 | N4 | H106 | 112.6° | 120.0° |
| H103 | C68 | H104 | 109.4° | 109.5° |
| H103 | C68 | H105 | 109.5° | 109.4° |
| H104 | C68 | H105 | 109.5° | 109.5° |
| C70 | C69 | O52 | 108.2° | 101.9° |
| C70 | C69 | O55 | 114.1° | 116.3° |
| C70 | C69 | H112 | 107.0° | 108.7° |
| C69 | C70 | C71 | 116.2° | 113.8° |
| C69 | C70 | N5 | 109.4° | 101.4° |
| C69 | C70 | H113 | 110.9° | 110.9° |
| O52 | C69 | O55 | 117.0° | 112.5° |
| O52 | C69 | H112 | 105.5° | 108.6° |
| C69 | O52 | C75 | 100.4° | 106.8° |
| O55 | C69 | H112 | 104.2° | 108.5° |
| C69 | O55 | C73 | 104.9° | 118.0° |
| C71 | C70 | N5 | 103.3° | 108.2° |
| C71 | C70 | H113 | 108.0° | 110.7° |
| C70 | C71 | C72 | 114.8° | 111.8° |
| C70 | C71 | O53 | 107.5° | 109.0° |
| C70 | C71 | H114 | 107.7° | 109.0° |
| N5 | C70 | H113 | 108.5° | 111.5° |
| C70 | N5 | C75 | 103.7° | 108.2° |
| C70 | N5 | H122 | 128.1° | 125.9° |
| C72 | C71 | O53 | 108.4° | 109.0° |
| C72 | C71 | H114 | 108.5° | 109.0° |
| C71 | C72 | C73 | 109.6° | 108.4° |
| C71 | C72 | O54 | 109.6° | 109.7° |
| C71 | C72 | H115 | 108.7° | 109.7° |
| O53 | C71 | H114 | 109.9° | 108.9° |
| C71 | O53 | H123 | 109.5° | 114.0° |
| C73 | C72 | O54 | 110.8° | 109.6° |
| C73 | C72 | H115 | 108.9° | 109.7° |
| C72 | C73 | C74 | 110.6° | 109.7° |
| C72 | C73 | O55 | 106.7° | 108.1° |
| C72 | C73 | H116 | 110.5° | 109.8° |
| O54 | C72 | H115 | 109.2° | 109.7° |
| C72 | O54 | C1 | 122.1° | 114.0° |
| C74 | C73 | O55 | 107.6° | 109.7° |
| C74 | C73 | H116 | 109.5° | 109.7° |
| C73 | C74 | O56 | 99.8° | 109.5° |
| C73 | C74 | H117 | 111.8° | 109.4° |
| C73 | C74 | H118 | 111.8° | 109.5° |
| O55 | C73 | H116 | 111.9° | 109.7° |
| O56 | C74 | H117 | 111.8° | 109.5° |
| O56 | C74 | H118 | 111.8° | 109.5° |
| C74 | O56 | H124 | 109.5° | 113.9° |
| H117 | C74 | H118 | 109.5° | 109.5° |
| C76 | C75 | N5 | 123.8° | 123.1° |
| C76 | C75 | O52 | 123.7° | 123.1° |
| C75 | C76 | H119 | 109.5° | 109.5° |
| C75 | C76 | H120 | 109.4° | 109.5° |
| C75 | C76 | H121 | 109.5° | 109.5° |
| N5 | C75 | O52 | 112.5° | 113.9° |
| C75 | N5 | H122 | 128.1° | 125.9° |
| H119 | C76 | H120 | 109.5° | 109.5° |
| H119 | C76 | H121 | 109.4° | 109.5° |
| H120 | C76 | H121 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O4 | H1 | 125.9° | 119.9° |
| C2 | C1 | O4 | O54 | 108.4° | 120.0° |
| C2 | C1 | H1 | O54 | 111.5° | 120.0° |
| C1 | C2 | C3 | O1 | 120.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.3° | 119.9° |
| C1 | C2 | O1 | H2 | 121.0° | 120.2° |
| C1 | C2 | C3 | C4 | 44.9° | 57.0° |
| C1 | C2 | C3 | O2 | 166.3° | 176.9° |
| C1 | C2 | C3 | H3 | 74.1° | 62.9° |
| C2 | C1 | O4 | C5 | 62.2° | 61.2° |
| C1 | C2 | O1 | H8 | 180.0° | 59.9° |
| C2 | C1 | O54 | C72 | 155.1° | 168.5° |
| O4 | C1 | H1 | O54 | 122.2° | 120.1° |
| O4 | C1 | C2 | C3 | 50.3° | 57.6° |
| O4 | C1 | C2 | O1 | 67.5° | 62.3° |
| O4 | C1 | C2 | H2 | 170.6° | 177.5° |
| C1 | O4 | C5 | C4 | 64.3° | 61.2° |
| C1 | O4 | C5 | C6 | 175.1° | 178.9° |
| C1 | O4 | C5 | H5 | 55.3° | 58.8° |
| O4 | C1 | O54 | C72 | 88.3° | 71.6° |
| H1 | C1 | C2 | C3 | 76.6° | 62.4° |
| H1 | C1 | C2 | O1 | 165.6° | 177.7° |
| H1 | C1 | C2 | H2 | 43.7° | 57.5° |
| H1 | C1 | O4 | C5 | 63.7° | 58.8° |
| H1 | C1 | O54 | C72 | 36.9° | 48.5° |
| C3 | C2 | O1 | H2 | 118.4° | 120.1° |
| C2 | C3 | C4 | O2 | 121.7° | 119.9° |
| C2 | C3 | C4 | H3 | 119.1° | 119.9° |
| C2 | C3 | O2 | H3 | 118.6° | 120.2° |
| C2 | C3 | C4 | C5 | 48.9° | 57.0° |
| C2 | C3 | C4 | O3 | 170.0° | 176.9° |
| C2 | C3 | C4 | H4 | 69.9° | 62.9° |
| C3 | C2 | O1 | H8 | 59.4° | 179.6° |
| C2 | C3 | O2 | C7 | 131.5° | 90.0° |
| C3 | C2 | C1 | O54 | 163.3° | 177.6° |
| O1 | C2 | C3 | C4 | 75.3° | 63.0° |
| O1 | C2 | C3 | O2 | 46.0° | 56.9° |
| O1 | C2 | C3 | H3 | 165.6° | 177.2° |
| O1 | C2 | C1 | O54 | 45.5° | 57.7° |
| H2 | C2 | C3 | C4 | 165.3° | 176.9° |
| H2 | C2 | C3 | O2 | 73.4° | 63.3° |
| H2 | C2 | C3 | H3 | 46.2° | 57.0° |
| H2 | C2 | O1 | H8 | 59.0° | 60.3° |
| H2 | C2 | C1 | O54 | 76.3° | 62.5° |
| C4 | C3 | O2 | H3 | 118.1° | 120.2° |
| C3 | C4 | C5 | O3 | 121.8° | 119.9° |
| C3 | C4 | C5 | H4 | 118.7° | 120.0° |
| C3 | C4 | O3 | H4 | 119.2° | 120.2° |
| C3 | C4 | C5 | C6 | 174.2° | 177.6° |
| C3 | C4 | C5 | O4 | 56.0° | 57.6° |
| C3 | C4 | C5 | H5 | 64.5° | 62.4° |
| C3 | C4 | O3 | H9 | 180.0° | 180.0° |
| C4 | C3 | O2 | C7 | 105.2° | 150.5° |
| O2 | C3 | C4 | C5 | 170.6° | 176.9° |
| O2 | C3 | C4 | O3 | 68.3° | 63.2° |
| O2 | C3 | C4 | H4 | 51.8° | 56.9° |
| C3 | O2 | C7 | C8 | 152.1° | 170.0° |
| C3 | O2 | C7 | O9 | 86.5° | 70.0° |
| C3 | O2 | C7 | H10 | 35.5° | 50.0° |
| H3 | C3 | C4 | C5 | 70.2° | 62.8° |
| H3 | C3 | C4 | O3 | 50.8° | 57.0° |
| H3 | C3 | C4 | H4 | 171.0° | 177.2° |
| H3 | C3 | O2 | C7 | 12.9° | 30.2° |
| C5 | C4 | O3 | H4 | 118.5° | 120.1° |
| C4 | C5 | C6 | O4 | 118.4° | 119.9° |
| C4 | C5 | C6 | H5 | 121.1° | 120.1° |
| C4 | C5 | O4 | H5 | 119.6° | 120.0° |
| C4 | C5 | C6 | O5 | 161.4° | 175.0° |
| C4 | C5 | C6 | H6 | 41.4° | 55.1° |
| C4 | C5 | C6 | H7 | 78.6° | 65.0° |
| C5 | C4 | O3 | H9 | 57.7° | 60.3° |
| O3 | C4 | C5 | C6 | 64.0° | 62.5° |
| O3 | C4 | C5 | O4 | 177.8° | 177.5° |
| O3 | C4 | C5 | H5 | 57.3° | 57.5° |
| H4 | C4 | C5 | C6 | 55.5° | 57.6° |
| H4 | C4 | C5 | O4 | 62.7° | 62.3° |
| H4 | C4 | C5 | H5 | 176.8° | 177.6° |
| H4 | C4 | O3 | H9 | 60.8° | 59.9° |
| C6 | C5 | O4 | H5 | 119.8° | 120.0° |
| C5 | C6 | O5 | H6 | 120.0° | 119.9° |
| C5 | C6 | O5 | H7 | 120.0° | 120.1° |
| C5 | C6 | H6 | H7 | 120.1° | 120.1° |
| C5 | C6 | O5 | C38 | 159.4° | 180.0° |
| O4 | C5 | C6 | O5 | 80.3° | 65.1° |
| O4 | C5 | C6 | H6 | 159.7° | 175.0° |
| O4 | C5 | C6 | H7 | 39.7° | 54.9° |
| C5 | O4 | C1 | O54 | 170.6° | 178.8° |
| H5 | C5 | C6 | O5 | 40.3° | 55.0° |
| H5 | C5 | C6 | H6 | 79.8° | 65.0° |
| H5 | C5 | C6 | H7 | 160.2° | 175.0° |
| O5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | O5 | C38 | C39 | 156.8° | 170.0° |
| C6 | O5 | C38 | O32 | 81.1° | 70.1° |
| C6 | O5 | C38 | H61 | 40.1° | 50.1° |
| H6 | C6 | O5 | C38 | 39.4° | 60.1° |
| H7 | C6 | O5 | C38 | 80.5° | 59.9° |
| C8 | C7 | O9 | H10 | 120.6° | 120.0° |
| C8 | C7 | O9 | O2 | 117.6° | 120.0° |
| C8 | C7 | H10 | O2 | 114.5° | 120.0° |
| C7 | C8 | C9 | O6 | 119.9° | 119.9° |
| C7 | C8 | C9 | H11 | 119.8° | 119.9° |
| C7 | C8 | O6 | H11 | 123.0° | 120.2° |
| C7 | C8 | C9 | C10 | 58.5° | 57.0° |
| C7 | C8 | C9 | O7 | 178.0° | 176.8° |
| C7 | C8 | C9 | H12 | 58.3° | 62.9° |
| C8 | C7 | O9 | C11 | 56.4° | 61.2° |
| C7 | C8 | O6 | C13 | 105.0° | 90.0° |
| O9 | C7 | H10 | O2 | 122.9° | 120.0° |
| O9 | C7 | C8 | C9 | 57.2° | 57.6° |
| O9 | C7 | C8 | O6 | 59.1° | 62.3° |
| O9 | C7 | C8 | H11 | 177.1° | 177.5° |
| C7 | O9 | C11 | C10 | 53.2° | 61.1° |
| C7 | O9 | C11 | C12 | 175.5° | 178.9° |
| C7 | O9 | C11 | H14 | 66.3° | 58.8° |
| H10 | C7 | C8 | C9 | 178.7° | 177.6° |
| H10 | C7 | C8 | O6 | 62.3° | 57.7° |
| H10 | C7 | C8 | H11 | 61.5° | 62.5° |
| H10 | C7 | O9 | C11 | 177.0° | 178.8° |
| C9 | C8 | O6 | H11 | 119.5° | 120.2° |
| C8 | C9 | C10 | O7 | 124.3° | 119.9° |
| C8 | C9 | C10 | H12 | 116.8° | 119.9° |
| C8 | C9 | O7 | H12 | 118.9° | 120.2° |
| C8 | C9 | C10 | C11 | 57.4° | 57.0° |
| C8 | C9 | C10 | O8 | 177.9° | 176.9° |
| C8 | C9 | C10 | H13 | 61.4° | 62.9° |
| C8 | C9 | O7 | H17 | 180.0° | 180.0° |
| C9 | C8 | C7 | O2 | 64.0° | 62.4° |
| C9 | C8 | O6 | C13 | 137.4° | 150.4° |
| O6 | C8 | C9 | C10 | 61.4° | 62.9° |
| O6 | C8 | C9 | O7 | 62.2° | 57.0° |
| O6 | C8 | C9 | H12 | 178.1° | 177.2° |
| C8 | O6 | C13 | C14 | 150.2° | 175.0° |
| C8 | O6 | C13 | O13 | 89.7° | 65.1° |
| C8 | O6 | C13 | H20 | 31.4° | 55.0° |
| O6 | C8 | C7 | O2 | 179.7° | 177.7° |
| H11 | C8 | C9 | C10 | 178.3° | 176.9° |
| H11 | C8 | C9 | O7 | 58.2° | 63.3° |
| H11 | C8 | C9 | H12 | 61.5° | 57.0° |
| H11 | C8 | C7 | O2 | 55.9° | 57.5° |
| H11 | C8 | O6 | C13 | 17.9° | 30.1° |
| C10 | C9 | O7 | H12 | 117.9° | 120.2° |
| C9 | C10 | C11 | O8 | 120.9° | 120.0° |
| C9 | C10 | C11 | H13 | 118.8° | 119.9° |
| C9 | C10 | O8 | H13 | 119.7° | 120.2° |
| C9 | C10 | C11 | C12 | 171.9° | 177.6° |
| C9 | C10 | C11 | O9 | 52.2° | 57.6° |
| C9 | C10 | C11 | H14 | 67.9° | 62.4° |
| C10 | C9 | O7 | H17 | 56.9° | 60.4° |
| C9 | C10 | O8 | H18 | 180.0° | 180.0° |
| O7 | C9 | C10 | C11 | 178.3° | 176.9° |
| O7 | C9 | C10 | O8 | 57.8° | 63.2° |
| O7 | C9 | C10 | H13 | 62.9° | 57.0° |
| H12 | C9 | C10 | C11 | 59.5° | 62.9° |
| H12 | C9 | C10 | O8 | 61.0° | 57.0° |
| H12 | C9 | C10 | H13 | 178.2° | 177.2° |
| H12 | C9 | O7 | H17 | 61.0° | 59.7° |
| C11 | C10 | O8 | H13 | 119.2° | 120.1° |
| C10 | C11 | C12 | O9 | 121.2° | 119.9° |
| C10 | C11 | C12 | H14 | 120.1° | 120.0° |
| C10 | C11 | O9 | H14 | 119.4° | 120.0° |
| C10 | C11 | C12 | O10 | 173.1° | 175.0° |
| C10 | C11 | C12 | H15 | 53.1° | 55.0° |
| C10 | C11 | C12 | H16 | 67.0° | 65.0° |
| C11 | C10 | O8 | H18 | 59.0° | 60.3° |
| O8 | C10 | C11 | C12 | 67.2° | 62.5° |
| O8 | C10 | C11 | O9 | 173.2° | 177.6° |
| O8 | C10 | C11 | H14 | 53.1° | 57.6° |
| H13 | C10 | C11 | C12 | 53.0° | 57.6° |
| H13 | C10 | C11 | O9 | 66.6° | 62.3° |
| H13 | C10 | C11 | H14 | 173.3° | 177.7° |
| H13 | C10 | O8 | H18 | 60.3° | 59.8° |
| C12 | C11 | O9 | H14 | 118.2° | 120.1° |
| C11 | C12 | O10 | H15 | 119.9° | 120.0° |
| C11 | C12 | O10 | H16 | 119.9° | 120.0° |
| C11 | C12 | H15 | H16 | 120.3° | 120.0° |
| C11 | C12 | O10 | H19 | 180.0° | 180.0° |
| O9 | C11 | C12 | O10 | 65.8° | 65.1° |
| O9 | C11 | C12 | H15 | 174.3° | 175.0° |
| O9 | C11 | C12 | H16 | 54.1° | 54.9° |
| C11 | O9 | C7 | O2 | 61.2° | 58.8° |
| H14 | C11 | C12 | O10 | 53.0° | 55.0° |
| H14 | C11 | C12 | H15 | 67.0° | 65.0° |
| H14 | C11 | C12 | H16 | 172.9° | 175.0° |
| O10 | C12 | H15 | H16 | 120.2° | 120.0° |
| H15 | C12 | O10 | H19 | 60.1° | 60.0° |
| H16 | C12 | O10 | H19 | 60.1° | 60.0° |
| C14 | C13 | O13 | H20 | 119.1° | 120.0° |
| C14 | C13 | O13 | O6 | 120.2° | 120.0° |
| C14 | C13 | H20 | O6 | 119.3° | 120.1° |
| C13 | C14 | C15 | N1 | 123.6° | 119.9° |
| C13 | C14 | C15 | H21 | 117.5° | 120.0° |
| C13 | C14 | N1 | H21 | 118.7° | 120.2° |
| C13 | C14 | C15 | C16 | 52.7° | 57.0° |
| C13 | C14 | C15 | O11 | 174.1° | 176.9° |
| C13 | C14 | C15 | H22 | 66.6° | 62.9° |
| C14 | C13 | O13 | C17 | 63.8° | 61.2° |
| C13 | C14 | N1 | C19 | 87.6° | 85.0° |
| C13 | C14 | N1 | H30 | 92.4° | 95.0° |
| O13 | C13 | H20 | O6 | 121.1° | 120.0° |
| O13 | C13 | C14 | C15 | 58.8° | 57.6° |
| O13 | C13 | C14 | N1 | 177.9° | 177.5° |
| O13 | C13 | C14 | H21 | 58.7° | 62.3° |
| C13 | O13 | C17 | C16 | 61.2° | 61.2° |
| C13 | O13 | C17 | C18 | 174.7° | 178.9° |
| C13 | O13 | C17 | H24 | 57.8° | 58.9° |
| H20 | C13 | C14 | C15 | 61.2° | 62.4° |
| H20 | C13 | C14 | N1 | 62.1° | 57.5° |
| H20 | C13 | C14 | H21 | 178.6° | 177.7° |
| H20 | C13 | O13 | C17 | 55.3° | 58.9° |
| C15 | C14 | N1 | H21 | 118.4° | 120.1° |
| C14 | C15 | C16 | O11 | 119.5° | 119.9° |
| C14 | C15 | C16 | H22 | 119.2° | 119.9° |
| C14 | C15 | O11 | H22 | 118.3° | 120.2° |
| C14 | C15 | C16 | C17 | 49.7° | 57.0° |
| C14 | C15 | C16 | O12 | 166.8° | 176.8° |
| C14 | C15 | C16 | H23 | 70.3° | 62.9° |
| C15 | C14 | N1 | C19 | 149.5° | 155.3° |
| C15 | C14 | N1 | H30 | 30.5° | 24.7° |
| C14 | C15 | O11 | H31 | 180.0° | 60.0° |
| C15 | C14 | C13 | O6 | 179.4° | 177.6° |
| N1 | C14 | C15 | C16 | 176.2° | 176.9° |
| N1 | C14 | C15 | O11 | 62.3° | 63.2° |
| N1 | C14 | C15 | H22 | 56.9° | 57.0° |
| C14 | N1 | C19 | C20 | 180.0° | 180.0° |
| C14 | N1 | C19 | H30 | 180.0° | 179.9° |
| C14 | N1 | C19 | O15 | 0.0° | 0.1° |
| N1 | C14 | C13 | O6 | 57.3° | 62.5° |
| H21 | C14 | C15 | C16 | 64.8° | 63.0° |
| H21 | C14 | C15 | O11 | 56.6° | 56.9° |
| H21 | C14 | C15 | H22 | 175.9° | 177.2° |
| H21 | C14 | N1 | C19 | 31.1° | 35.2° |
| H21 | C14 | N1 | H30 | 148.9° | 144.9° |
| H21 | C14 | C13 | O6 | 61.9° | 57.6° |
| C16 | C15 | O11 | H22 | 120.4° | 120.2° |
| C15 | C16 | C17 | O12 | 121.5° | 119.9° |
| C15 | C16 | C17 | H23 | 120.1° | 119.9° |
| C15 | C16 | O12 | H23 | 122.1° | 120.2° |
| C15 | C16 | C17 | C18 | 173.1° | 177.5° |
| C15 | C16 | C17 | O13 | 53.0° | 57.6° |
| C15 | C16 | C17 | H24 | 66.8° | 62.4° |
| C16 | C15 | O11 | H31 | 58.7° | 179.6° |
| C15 | C16 | O12 | C21 | 59.2° | 137.5° |
| O11 | C15 | C16 | C17 | 169.2° | 176.9° |
| O11 | C15 | C16 | O12 | 73.7° | 63.2° |
| O11 | C15 | C16 | H23 | 49.2° | 57.0° |
| H22 | C15 | C16 | C17 | 69.5° | 62.9° |
| H22 | C15 | C16 | O12 | 47.6° | 57.0° |
| H22 | C15 | C16 | H23 | 170.4° | 177.2° |
| H22 | C15 | O11 | H31 | 61.7° | 60.3° |
| C17 | C16 | O12 | H23 | 117.5° | 120.1° |
| C16 | C17 | C18 | O13 | 122.5° | 119.9° |
| C16 | C17 | C18 | H24 | 119.9° | 120.1° |
| C16 | C17 | O13 | H24 | 119.0° | 120.0° |
| C16 | C17 | C18 | O14 | 7.7° | 174.5° |
| C16 | C17 | C18 | H25 | 128.0° | 54.6° |
| C16 | C17 | C18 | H26 | 112.7° | 65.4° |
| C17 | C16 | O12 | C21 | 179.6° | 102.8° |
| O12 | C16 | C17 | C18 | 65.4° | 62.5° |
| O12 | C16 | C17 | O13 | 174.5° | 177.5° |
| O12 | C16 | C17 | H24 | 54.7° | 57.5° |
| C16 | O12 | C21 | C22 | 47.9° | 169.7° |
| C16 | O12 | C21 | O19 | 168.5° | 70.3° |
| C16 | O12 | C21 | H33 | 73.9° | 49.7° |
| H23 | C16 | C17 | C18 | 53.1° | 57.7° |
| H23 | C16 | C17 | O13 | 67.0° | 62.3° |
| H23 | C16 | C17 | H24 | 173.2° | 177.7° |
| H23 | C16 | O12 | C21 | 62.9° | 17.4° |
| C18 | C17 | O13 | H24 | 116.9° | 120.0° |
| C17 | C18 | O14 | H25 | 120.3° | 119.9° |
| C17 | C18 | O14 | H26 | 120.3° | 120.1° |
| C17 | C18 | H25 | H26 | 119.0° | 120.1° |
| C17 | C18 | O14 | H32 | 180.0° | 180.0° |
| O13 | C17 | C18 | O14 | 114.9° | 65.5° |
| O13 | C17 | C18 | H25 | 5.4° | 174.5° |
| O13 | C17 | C18 | H26 | 124.8° | 54.5° |
| C17 | O13 | C13 | O6 | 176.0° | 178.9° |
| H24 | C17 | C18 | O14 | 127.6° | 54.4° |
| H24 | C17 | C18 | H25 | 112.1° | 65.5° |
| H24 | C17 | C18 | H26 | 7.3° | 174.5° |
| O14 | C18 | H25 | H26 | 119.0° | 120.0° |
| H25 | C18 | O14 | H32 | 59.7° | 60.1° |
| H26 | C18 | O14 | H32 | 59.7° | 59.9° |
| C20 | C19 | N1 | O15 | 180.0° | 180.0° |
| C19 | C20 | H27 | H28 | 120.0° | 120.0° |
| C19 | C20 | H27 | H29 | 120.0° | 120.0° |
| C19 | C20 | H28 | H29 | 120.0° | 120.0° |
| C20 | C19 | N1 | H30 | 0.0° | 0.0° |
| N1 | C19 | C20 | H27 | 180.0° | 0.0° |
| N1 | C19 | C20 | H28 | 60.0° | 120.0° |
| N1 | C19 | C20 | H29 | 60.0° | 119.9° |
| O15 | C19 | C20 | H27 | 0.0° | 179.9° |
| O15 | C19 | C20 | H28 | 120.0° | 60.0° |
| O15 | C19 | C20 | H29 | 120.0° | 60.0° |
| O15 | C19 | N1 | H30 | 180.0° | 180.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| C22 | C21 | O19 | H33 | 116.8° | 119.9° |
| C22 | C21 | O19 | O12 | 125.6° | 120.0° |
| C22 | C21 | H33 | O12 | 126.8° | 120.0° |
| C21 | C22 | C23 | O16 | 122.4° | 119.9° |
| C21 | C22 | C23 | H34 | 118.6° | 119.9° |
| C21 | C22 | O16 | H34 | 122.1° | 120.1° |
| C21 | C22 | C23 | C24 | 61.2° | 56.9° |
| C21 | C22 | C23 | O17 | 179.5° | 176.8° |
| C21 | C22 | C23 | H35 | 57.7° | 62.9° |
| C22 | C21 | O19 | C25 | 53.5° | 61.1° |
| C21 | C22 | O16 | H40 | 180.0° | 59.9° |
| O19 | C21 | H33 | O12 | 116.1° | 120.1° |
| O19 | C21 | C22 | C23 | 55.4° | 57.6° |
| O19 | C21 | C22 | O16 | 173.3° | 177.5° |
| O19 | C21 | C22 | H34 | 63.5° | 62.4° |
| C21 | O19 | C25 | C24 | 55.0° | 61.2° |
| C21 | O19 | C25 | C26 | 179.7° | 178.9° |
| C21 | O19 | C25 | H37 | 64.6° | 58.9° |
| H33 | C21 | C22 | C23 | 62.3° | 62.4° |
| H33 | C21 | C22 | O16 | 55.5° | 57.6° |
| H33 | C21 | C22 | H34 | 178.7° | 177.7° |
| H33 | C21 | O19 | C25 | 63.3° | 58.8° |
| C23 | C22 | O16 | H34 | 117.9° | 120.2° |
| C22 | C23 | C24 | O17 | 121.8° | 119.9° |
| C22 | C23 | C24 | H35 | 118.8° | 119.8° |
| C22 | C23 | O17 | H35 | 120.9° | 120.2° |
| C22 | C23 | C24 | C25 | 59.6° | 56.9° |
| C22 | C23 | C24 | O18 | 60.4° | 63.0° |
| C22 | C23 | C24 | H36 | 178.1° | 176.9° |
| C23 | C22 | O16 | H40 | 60.0° | 179.7° |
| C22 | C23 | O17 | H41 | 180.0° | 60.0° |
| C23 | C22 | C21 | O12 | 175.2° | 177.6° |
| O16 | C22 | C23 | C24 | 176.4° | 176.9° |
| O16 | C22 | C23 | O17 | 57.1° | 63.2° |
| O16 | C22 | C23 | H35 | 64.7° | 57.0° |
| O16 | C22 | C21 | O12 | 67.0° | 62.4° |
| H34 | C22 | C23 | C24 | 57.5° | 62.9° |
| H34 | C22 | C23 | O17 | 61.9° | 56.9° |
| H34 | C22 | C23 | H35 | 176.4° | 177.2° |
| H34 | C22 | O16 | H40 | 57.9° | 60.1° |
| H34 | C22 | C21 | O12 | 56.2° | 57.7° |
| C24 | C23 | O17 | H35 | 118.5° | 120.2° |
| C23 | C24 | C25 | O18 | 120.1° | 119.9° |
| C23 | C24 | C25 | H36 | 118.5° | 119.9° |
| C23 | C24 | O18 | H36 | 120.7° | 120.1° |
| C23 | C24 | C25 | C26 | 175.0° | 177.6° |
| C23 | C24 | C25 | O19 | 54.9° | 57.6° |
| C23 | C24 | C25 | H37 | 65.2° | 62.4° |
| C24 | C23 | O17 | H41 | 59.5° | 179.6° |
| C23 | C24 | O18 | H42 | 180.0° | 60.0° |
| O17 | C23 | C24 | C25 | 178.6° | 176.8° |
| O17 | C23 | C24 | O18 | 61.4° | 56.9° |
| O17 | C23 | C24 | H36 | 60.1° | 63.2° |
| H35 | C23 | C24 | C25 | 59.3° | 62.9° |
| H35 | C23 | C24 | O18 | 179.2° | 177.2° |
| H35 | C23 | C24 | H36 | 59.2° | 57.1° |
| H35 | C23 | O17 | H41 | 59.1° | 60.2° |
| C25 | C24 | O18 | H36 | 120.5° | 120.2° |
| C24 | C25 | C26 | O19 | 123.6° | 120.0° |
| C24 | C25 | C26 | H37 | 119.9° | 120.0° |
| C24 | C25 | O19 | H37 | 119.5° | 120.0° |
| C24 | C25 | C26 | O20 | 52.1° | 175.0° |
| C24 | C25 | C26 | H38 | 68.2° | 55.0° |
| C24 | C25 | C26 | H39 | 172.5° | 65.0° |
| C25 | C24 | O18 | H42 | 61.2° | 179.7° |
| O18 | C24 | C25 | C26 | 54.9° | 57.7° |
| O18 | C24 | C25 | O19 | 65.2° | 62.3° |
| O18 | C24 | C25 | H37 | 174.7° | 177.7° |
| H36 | C24 | C25 | C26 | 66.5° | 62.5° |
| H36 | C24 | C25 | O19 | 173.4° | 177.5° |
| H36 | C24 | C25 | H37 | 53.3° | 57.5° |
| H36 | C24 | O18 | H42 | 59.3° | 60.1° |
| C26 | C25 | O19 | H37 | 115.7° | 120.0° |
| C25 | C26 | O20 | H38 | 120.3° | 120.0° |
| C25 | C26 | O20 | H39 | 120.3° | 120.1° |
| C25 | C26 | H38 | H39 | 119.0° | 120.1° |
| C25 | C26 | O20 | C28 | 157.4° | 177.0° |
| O19 | C25 | C26 | O20 | 175.8° | 65.0° |
| O19 | C25 | C26 | H38 | 55.5° | 175.0° |
| O19 | C25 | C26 | H39 | 63.9° | 55.0° |
| C25 | O19 | C21 | O12 | 179.1° | 178.9° |
| H37 | C25 | C26 | O20 | 67.8° | 54.9° |
| H37 | C25 | C26 | H38 | 171.9° | 65.0° |
| H37 | C25 | C26 | H39 | 52.5° | 174.9° |
| O20 | C26 | H38 | H39 | 119.1° | 120.0° |
| C26 | O20 | C28 | C27 | 92.7° | 174.4° |
| C26 | O20 | C28 | C29 | 36.0° | 65.6° |
| C26 | O20 | C28 | O24 | 151.0° | 54.4° |
| H38 | C26 | O20 | C28 | 37.1° | 63.0° |
| H39 | C26 | O20 | C28 | 82.3° | 56.9° |
| C28 | C27 | O21 | O22 | 179.7° | 180.0° |
| C27 | C28 | C29 | O24 | 125.9° | 120.0° |
| C27 | C28 | C29 | O20 | 125.5° | 120.0° |
| C27 | C28 | O24 | O20 | 115.7° | 120.0° |
| C27 | C28 | C29 | C30 | 75.3° | 62.4° |
| C27 | C28 | C29 | H43 | 164.1° | 177.7° |
| C27 | C28 | C29 | H44 | 45.2° | 57.5° |
| C27 | C28 | O24 | C32 | 83.0° | 58.9° |
| C28 | C27 | O22 | H56 | 179.7° | 180.0° |
| O21 | C27 | C28 | C29 | 114.1° | 123.7° |
| O21 | C27 | C28 | O24 | 120.6° | 116.3° |
| O21 | C27 | O22 | H56 | 0.0° | 0.0° |
| O21 | C27 | C28 | O20 | 11.6° | 3.8° |
| O22 | C27 | C28 | C29 | 65.6° | 56.2° |
| O22 | C27 | C28 | O24 | 59.7° | 63.8° |
| O22 | C27 | C28 | O20 | 168.7° | 176.2° |
| C29 | C28 | O24 | O20 | 115.7° | 120.0° |
| C28 | C29 | C30 | H43 | 120.5° | 119.9° |
| C28 | C29 | C30 | H44 | 120.5° | 119.9° |
| C28 | C29 | H43 | H44 | 118.3° | 120.2° |
| C28 | C29 | C30 | C31 | 58.2° | 57.0° |
| C28 | C29 | C30 | O23 | 177.8° | 176.8° |
| C28 | C29 | C30 | H45 | 60.2° | 62.9° |
| C29 | C28 | O24 | C32 | 45.6° | 61.1° |
| O24 | C28 | C29 | C30 | 50.5° | 57.6° |
| O24 | C28 | C29 | H43 | 70.0° | 62.3° |
| O24 | C28 | C29 | H44 | 171.1° | 177.5° |
| C28 | O24 | C32 | C31 | 45.9° | 61.1° |
| C28 | O24 | C32 | C33 | 166.5° | 178.9° |
| C28 | O24 | C32 | H47 | 76.3° | 58.9° |
| C30 | C29 | H43 | H44 | 118.4° | 120.1° |
| C29 | C30 | C31 | O23 | 122.4° | 119.8° |
| C29 | C30 | C31 | H45 | 118.5° | 119.9° |
| C29 | C30 | O23 | H45 | 121.3° | 120.3° |
| C29 | C30 | C31 | C32 | 55.7° | 57.0° |
| C29 | C30 | C31 | N2 | 177.4° | 176.9° |
| C29 | C30 | C31 | H46 | 62.9° | 62.9° |
| C29 | C30 | O23 | H57 | 180.0° | 60.1° |
| C30 | C29 | C28 | O20 | 159.2° | 177.6° |
| H43 | C29 | C30 | C31 | 62.3° | 62.9° |
| H43 | C29 | C30 | O23 | 57.3° | 56.9° |
| H43 | C29 | C30 | H45 | 179.2° | 177.2° |
| H43 | C29 | C28 | O20 | 38.6° | 57.7° |
| H44 | C29 | C30 | C31 | 178.8° | 176.9° |
| H44 | C29 | C30 | O23 | 61.6° | 63.3° |
| H44 | C29 | C30 | H45 | 60.3° | 57.1° |
| H44 | C29 | C28 | O20 | 80.3° | 62.5° |
| C31 | C30 | O23 | H45 | 118.3° | 120.2° |
| C30 | C31 | C32 | N2 | 122.1° | 119.9° |
| C30 | C31 | C32 | H46 | 118.7° | 119.9° |
| C30 | C31 | N2 | H46 | 119.3° | 120.2° |
| C30 | C31 | C32 | C33 | 166.1° | 177.6° |
| C30 | C31 | C32 | O24 | 49.2° | 57.6° |
| C30 | C31 | C32 | H47 | 73.9° | 62.4° |
| C30 | C31 | N2 | C36 | 117.7° | 85.0° |
| C30 | C31 | N2 | H55 | 62.3° | 95.0° |
| C31 | C30 | O23 | H57 | 59.6° | 179.6° |
| O23 | C30 | C31 | C32 | 178.1° | 176.8° |
| O23 | C30 | C31 | N2 | 60.2° | 63.3° |
| O23 | C30 | C31 | H46 | 59.6° | 57.0° |
| H45 | C30 | C31 | C32 | 62.8° | 62.9° |
| H45 | C30 | C31 | N2 | 58.9° | 57.0° |
| H45 | C30 | C31 | H46 | 178.7° | 177.3° |
| H45 | C30 | O23 | H57 | 58.7° | 60.2° |
| C32 | C31 | N2 | H46 | 118.5° | 120.1° |
| C31 | C32 | C33 | O24 | 121.8° | 120.0° |
| C31 | C32 | C33 | H47 | 120.0° | 120.0° |
| C31 | C32 | O24 | H47 | 122.2° | 119.9° |
| C31 | C32 | C33 | C34 | 100.6° | 175.0° |
| C31 | C32 | C33 | O25 | 134.7° | 55.0° |
| C31 | C32 | C33 | H48 | 16.8° | 65.0° |
| C32 | C31 | N2 | C36 | 120.0° | 155.3° |
| C32 | C31 | N2 | H55 | 60.0° | 24.8° |
| N2 | C31 | C32 | C33 | 71.8° | 62.5° |
| N2 | C31 | C32 | O24 | 171.3° | 177.5° |
| N2 | C31 | C32 | H47 | 48.2° | 57.6° |
| C31 | N2 | C36 | C37 | 0.0° | 180.0° |
| C31 | N2 | C36 | H55 | 180.0° | 179.9° |
| C31 | N2 | C36 | O28 | 180.0° | 0.1° |
| H46 | C31 | C32 | C33 | 47.4° | 57.7° |
| H46 | C31 | C32 | O24 | 69.5° | 62.3° |
| H46 | C31 | C32 | H47 | 167.4° | 177.8° |
| H46 | C31 | N2 | C36 | 1.5° | 35.2° |
| H46 | C31 | N2 | H55 | 178.4° | 144.9° |
| C33 | C32 | O24 | H47 | 117.1° | 120.0° |
| C32 | C33 | C34 | O25 | 123.6° | 120.0° |
| C32 | C33 | C34 | H48 | 117.4° | 119.9° |
| C32 | C33 | O25 | H48 | 116.9° | 120.0° |
| C32 | C33 | C34 | C35 | 81.9° | 180.0° |
| C32 | C33 | C34 | O26 | 154.0° | 60.0° |
| C32 | C33 | C34 | H49 | 35.6° | 60.0° |
| C32 | C33 | O25 | H58 | 180.0° | 60.0° |
| O24 | C32 | C33 | C34 | 137.6° | 55.0° |
| O24 | C32 | C33 | O25 | 12.9° | 65.0° |
| O24 | C32 | C33 | H48 | 105.0° | 175.0° |
| C32 | O24 | C28 | O20 | 161.3° | 178.9° |
| H47 | C32 | C33 | C34 | 19.3° | 65.0° |
| H47 | C32 | C33 | O25 | 105.4° | 175.0° |
| H47 | C32 | C33 | H48 | 136.7° | 55.0° |
| C34 | C33 | O25 | H48 | 118.1° | 120.0° |
| C33 | C34 | C35 | O26 | 123.3° | 120.0° |
| C33 | C34 | C35 | H49 | 117.4° | 120.0° |
| C33 | C34 | O26 | H49 | 117.4° | 120.0° |
| C33 | C34 | C35 | O27 | 113.9° | 175.0° |
| C33 | C34 | C35 | H50 | 126.1° | 55.0° |
| C33 | C34 | C35 | H51 | 6.0° | 65.0° |
| C34 | C33 | O25 | H58 | 55.1° | 60.0° |
| C33 | C34 | O26 | H59 | 180.0° | 60.0° |
| O25 | C33 | C34 | C35 | 41.7° | 60.0° |
| O25 | C33 | C34 | O26 | 82.4° | 180.0° |
| O25 | C33 | C34 | H49 | 159.2° | 60.0° |
| H48 | C33 | C34 | C35 | 160.8° | 60.0° |
| H48 | C33 | C34 | O26 | 36.6° | 59.9° |
| H48 | C33 | C34 | H49 | 81.7° | 180.0° |
| H48 | C33 | O25 | H58 | 63.0° | 180.0° |
| C35 | C34 | O26 | H49 | 118.5° | 120.1° |
| C34 | C35 | O27 | H50 | 120.0° | 120.0° |
| C34 | C35 | O27 | H51 | 120.0° | 120.0° |
| C34 | C35 | H50 | H51 | 120.1° | 120.1° |
| C35 | C34 | O26 | H59 | 56.0° | 59.9° |
| C34 | C35 | O27 | H60 | 180.0° | 180.0° |
| O26 | C34 | C35 | O27 | 9.4° | 65.1° |
| O26 | C34 | C35 | H50 | 110.5° | 175.0° |
| O26 | C34 | C35 | H51 | 129.3° | 54.9° |
| H49 | C34 | C35 | O27 | 128.7° | 55.0° |
| H49 | C34 | C35 | H50 | 8.8° | 65.0° |
| H49 | C34 | C35 | H51 | 111.3° | 175.0° |
| H49 | C34 | O26 | H59 | 62.6° | 180.0° |
| O27 | C35 | H50 | H51 | 120.1° | 120.0° |
| H50 | C35 | O27 | H60 | 60.0° | 60.0° |
| H51 | C35 | O27 | H60 | 60.1° | 60.0° |
| C37 | C36 | N2 | O28 | 180.0° | 179.9° |
| C36 | C37 | H52 | H53 | 120.0° | 120.0° |
| C36 | C37 | H52 | H54 | 120.0° | 120.0° |
| C36 | C37 | H53 | H54 | 120.0° | 120.1° |
| C37 | C36 | N2 | H55 | 180.0° | 0.0° |
| N2 | C36 | C37 | H52 | 180.0° | 90.0° |
| N2 | C36 | C37 | H53 | 60.1° | 150.0° |
| N2 | C36 | C37 | H54 | 60.0° | 30.0° |
| O28 | C36 | C37 | H52 | 0.0° | 90.0° |
| O28 | C36 | C37 | H53 | 120.0° | 30.0° |
| O28 | C36 | C37 | H54 | 120.0° | 150.1° |
| O28 | C36 | N2 | H55 | 0.1° | 180.0° |
| H52 | C37 | H53 | H54 | 120.0° | 119.9° |
| C39 | C38 | O32 | H61 | 119.8° | 119.9° |
| C39 | C38 | O32 | O5 | 119.1° | 120.0° |
| C39 | C38 | H61 | O5 | 115.7° | 119.9° |
| C38 | C39 | C40 | O29 | 118.8° | 119.9° |
| C38 | C39 | C40 | H62 | 120.9° | 119.9° |
| C38 | C39 | O29 | H62 | 123.9° | 120.2° |
| C38 | C39 | C40 | C41 | 59.3° | 57.0° |
| C38 | C39 | C40 | O30 | 177.9° | 176.9° |
| C38 | C39 | C40 | H63 | 57.8° | 62.9° |
| C39 | C38 | O32 | C42 | 56.0° | 61.2° |
| C38 | C39 | O29 | C44 | 87.3° | 90.0° |
| O32 | C38 | H61 | O5 | 122.3° | 120.1° |
| O32 | C38 | C39 | C40 | 57.1° | 57.6° |
| O32 | C38 | C39 | O29 | 56.9° | 62.2° |
| O32 | C38 | C39 | H62 | 178.2° | 177.5° |
| C38 | O32 | C42 | C41 | 54.0° | 61.2° |
| C38 | O32 | C42 | C43 | 178.5° | 178.9° |
| C38 | O32 | C42 | H65 | 63.9° | 58.8° |
| H61 | C38 | C39 | C40 | 177.8° | 177.6° |
| H61 | C38 | C39 | O29 | 63.7° | 57.7° |
| H61 | C38 | C39 | H62 | 61.1° | 62.5° |
| H61 | C38 | O32 | C42 | 175.8° | 178.9° |
| C40 | C39 | O29 | H62 | 119.5° | 120.1° |
| C39 | C40 | C41 | O30 | 123.4° | 119.9° |
| C39 | C40 | C41 | H63 | 117.3° | 119.8° |
| C39 | C40 | O30 | H63 | 119.5° | 120.2° |
| C39 | C40 | C41 | C42 | 59.2° | 57.0° |
| C39 | C40 | C41 | O31 | 179.6° | 176.9° |
| C39 | C40 | C41 | H64 | 59.5° | 62.9° |
| C39 | C40 | O30 | H68 | 180.0° | 179.9° |
| C40 | C39 | C38 | O5 | 64.8° | 62.4° |
| C40 | C39 | O29 | C44 | 156.2° | 150.3° |
| O29 | C39 | C40 | C41 | 59.5° | 62.9° |
| O29 | C39 | C40 | O30 | 63.3° | 56.9° |
| O29 | C39 | C40 | H63 | 176.6° | 177.2° |
| C39 | O29 | C44 | C45 | 161.6° | 175.0° |
| C39 | O29 | C44 | O36 | 78.6° | 65.1° |
| C39 | O29 | C44 | H71 | 43.7° | 55.0° |
| O29 | C39 | C38 | O5 | 178.8° | 177.7° |
| H62 | C39 | C40 | C41 | 179.8° | 176.9° |
| H62 | C39 | C40 | O30 | 57.0° | 63.2° |
| H62 | C39 | C40 | H63 | 63.1° | 57.1° |
| H62 | C39 | C38 | O5 | 56.3° | 57.5° |
| H62 | C39 | O29 | C44 | 36.7° | 30.2° |
| C41 | C40 | O30 | H63 | 118.4° | 120.3° |
| C40 | C41 | C42 | O31 | 120.6° | 119.9° |
| C40 | C41 | C42 | H64 | 118.8° | 119.9° |
| C40 | C41 | O31 | H64 | 120.0° | 120.2° |
| C40 | C41 | C42 | C43 | 176.0° | 177.6° |
| C40 | C41 | C42 | O32 | 54.2° | 57.7° |
| C40 | C41 | C42 | H65 | 64.4° | 62.3° |
| C41 | C40 | O30 | H68 | 57.9° | 60.4° |
| C40 | C41 | O31 | H69 | 180.0° | 180.0° |
| O30 | C40 | C41 | C42 | 177.4° | 176.9° |
| O30 | C40 | C41 | O31 | 57.1° | 63.3° |
| O30 | C40 | C41 | H64 | 63.9° | 57.0° |
| H63 | C40 | C41 | C42 | 58.1° | 62.8° |
| H63 | C40 | C41 | O31 | 62.3° | 57.1° |
| H63 | C40 | C41 | H64 | 176.8° | 177.3° |
| H63 | C40 | O30 | H68 | 60.5° | 59.9° |
| C42 | C41 | O31 | H64 | 119.6° | 120.2° |
| C41 | C42 | C43 | O32 | 122.3° | 119.9° |
| C41 | C42 | C43 | H65 | 119.5° | 120.0° |
| C41 | C42 | O32 | H65 | 117.9° | 120.0° |
| C41 | C42 | C43 | O33 | 95.8° | 175.0° |
| C41 | C42 | C43 | H66 | 144.1° | 55.0° |
| C41 | C42 | C43 | H67 | 24.1° | 65.0° |
| C42 | C41 | O31 | H69 | 59.6° | 60.3° |
| O31 | C41 | C42 | C43 | 63.4° | 62.5° |
| O31 | C41 | C42 | O32 | 174.7° | 177.5° |
| O31 | C41 | C42 | H65 | 56.1° | 57.5° |
| H64 | C41 | C42 | C43 | 57.2° | 57.7° |
| H64 | C41 | C42 | O32 | 64.6° | 62.2° |
| H64 | C41 | C42 | H65 | 176.8° | 177.8° |
| H64 | C41 | O31 | H69 | 60.0° | 59.8° |
| C43 | C42 | O32 | H65 | 117.6° | 120.1° |
| C42 | C43 | O33 | H66 | 120.0° | 120.0° |
| C42 | C43 | O33 | H67 | 120.0° | 120.0° |
| C42 | C43 | H66 | H67 | 120.0° | 120.0° |
| C42 | C43 | O33 | H70 | 180.0° | 180.0° |
| O32 | C42 | C43 | O33 | 26.5° | 65.1° |
| O32 | C42 | C43 | H66 | 93.5° | 174.9° |
| O32 | C42 | C43 | H67 | 146.5° | 54.9° |
| C42 | O32 | C38 | O5 | 63.2° | 58.8° |
| H65 | C42 | C43 | O33 | 144.7° | 55.0° |
| H65 | C42 | C43 | H66 | 24.7° | 65.0° |
| H65 | C42 | C43 | H67 | 95.3° | 175.0° |
| O33 | C43 | H66 | H67 | 120.0° | 120.0° |
| H66 | C43 | O33 | H70 | 60.0° | 60.0° |
| H67 | C43 | O33 | H70 | 60.0° | 60.0° |
| C45 | C44 | O36 | H71 | 119.5° | 120.0° |
| C45 | C44 | O36 | O29 | 118.6° | 119.9° |
| C45 | C44 | H71 | O29 | 117.1° | 120.0° |
| C44 | C45 | C46 | N3 | 123.0° | 119.9° |
| C44 | C45 | C46 | H72 | 117.9° | 119.8° |
| C44 | C45 | N3 | H72 | 118.9° | 120.2° |
| C44 | C45 | C46 | C47 | 49.8° | 57.0° |
| C44 | C45 | C46 | O34 | 170.9° | 176.8° |
| C44 | C45 | C46 | H73 | 69.7° | 62.9° |
| C45 | C44 | O36 | C48 | 65.3° | 61.2° |
| C44 | C45 | N3 | C50 | 122.9° | 85.0° |
| C44 | C45 | N3 | H81 | 57.1° | 95.0° |
| O36 | C44 | H71 | O29 | 122.9° | 120.0° |
| O36 | C44 | C45 | C46 | 59.1° | 57.6° |
| O36 | C44 | C45 | N3 | 178.1° | 177.5° |
| O36 | C44 | C45 | H72 | 58.7° | 62.2° |
| C44 | O36 | C48 | C47 | 60.0° | 61.2° |
| C44 | O36 | C48 | C49 | 176.8° | 178.8° |
| C44 | O36 | C48 | H75 | 59.6° | 58.9° |
| H71 | C44 | C45 | C46 | 61.3° | 62.4° |
| H71 | C44 | C45 | N3 | 61.5° | 57.4° |
| H71 | C44 | C45 | H72 | 179.1° | 177.7° |
| H71 | C44 | O36 | C48 | 54.2° | 58.8° |
| C46 | C45 | N3 | H72 | 118.5° | 120.2° |
| C45 | C46 | C47 | O34 | 120.4° | 119.8° |
| C45 | C46 | C47 | H73 | 119.5° | 119.9° |
| C45 | C46 | O34 | H73 | 118.5° | 120.2° |
| C45 | C46 | C47 | C48 | 45.1° | 57.0° |
| C45 | C46 | C47 | O35 | 162.1° | 176.9° |
| C45 | C46 | C47 | H74 | 76.6° | 62.9° |
| C46 | C45 | N3 | C50 | 114.5° | 155.4° |
| C46 | C45 | N3 | H81 | 65.5° | 24.6° |
| C45 | C46 | O34 | H82 | 180.0° | 60.0° |
| C46 | C45 | C44 | O29 | 179.8° | 177.6° |
| N3 | C45 | C46 | C47 | 172.8° | 176.9° |
| N3 | C45 | C46 | O34 | 66.1° | 63.3° |
| N3 | C45 | C46 | H73 | 53.3° | 57.0° |
| C45 | N3 | C50 | C51 | 179.9° | 180.0° |
| C45 | N3 | C50 | H81 | 180.0° | 180.0° |
| C45 | N3 | C50 | O38 | 0.1° | 0.0° |
| N3 | C45 | C44 | O29 | 57.1° | 62.5° |
| H72 | C45 | C46 | C47 | 68.1° | 62.9° |
| H72 | C45 | C46 | O34 | 53.0° | 57.0° |
| H72 | C45 | C46 | H73 | 172.4° | 177.2° |
| H72 | C45 | N3 | C50 | 4.0° | 35.2° |
| H72 | C45 | N3 | H81 | 176.0° | 144.8° |
| H72 | C45 | C44 | O29 | 62.3° | 57.7° |
| C47 | C46 | O34 | H73 | 119.2° | 120.3° |
| C46 | C47 | C48 | O35 | 118.5° | 119.9° |
| C46 | C47 | C48 | H74 | 121.7° | 119.9° |
| C46 | C47 | O35 | H74 | 120.4° | 120.2° |
| C46 | C47 | C48 | C49 | 168.5° | 177.6° |
| C46 | C47 | C48 | O36 | 48.8° | 57.6° |
| C46 | C47 | C48 | H75 | 71.5° | 62.5° |
| C47 | C46 | O34 | H82 | 57.7° | 179.5° |
| C46 | C47 | O35 | C52 | 95.5° | 136.2° |
| O34 | C46 | C47 | C48 | 165.5° | 176.8° |
| O34 | C46 | C47 | O35 | 77.5° | 63.3° |
| O34 | C46 | C47 | H74 | 43.9° | 57.0° |
| H73 | C46 | C47 | C48 | 74.4° | 62.9° |
| H73 | C46 | C47 | O35 | 42.5° | 57.0° |
| H73 | C46 | C47 | H74 | 163.9° | 177.3° |
| H73 | C46 | O34 | H82 | 61.5° | 60.2° |
| C48 | C47 | O35 | H74 | 118.8° | 120.1° |
| C47 | C48 | C49 | O36 | 122.3° | 120.0° |
| C47 | C48 | C49 | H75 | 119.8° | 120.0° |
| C47 | C48 | O36 | H75 | 119.6° | 120.0° |
| C47 | C48 | C49 | O37 | 44.2° | 174.3° |
| C47 | C48 | C49 | H76 | 164.5° | 54.3° |
| C47 | C48 | C49 | H77 | 76.1° | 65.6° |
| C48 | C47 | O35 | C52 | 143.7° | 104.2° |
| O35 | C47 | C48 | C49 | 73.0° | 62.5° |
| O35 | C47 | C48 | O36 | 167.3° | 177.5° |
| O35 | C47 | C48 | H75 | 47.0° | 57.4° |
| C47 | O35 | C52 | C53 | 160.3° | 170.4° |
| C47 | O35 | C52 | O42 | 78.8° | 69.7° |
| C47 | O35 | C52 | H84 | 43.4° | 50.4° |
| H74 | C47 | C48 | C49 | 46.8° | 57.7° |
| H74 | C47 | C48 | O36 | 72.9° | 62.3° |
| H74 | C47 | C48 | H75 | 166.8° | 177.6° |
| H74 | C47 | O35 | C52 | 25.0° | 15.9° |
| C49 | C48 | O36 | H75 | 117.2° | 120.0° |
| C48 | C49 | O37 | H76 | 120.3° | 120.0° |
| C48 | C49 | O37 | H77 | 120.3° | 120.0° |
| C48 | C49 | H76 | H77 | 119.2° | 120.0° |
| C48 | C49 | O37 | H83 | 180.0° | 179.9° |
| O36 | C48 | C49 | O37 | 78.1° | 65.7° |
| O36 | C48 | C49 | H76 | 42.2° | 174.3° |
| O36 | C48 | C49 | H77 | 161.7° | 54.4° |
| C48 | O36 | C44 | O29 | 176.1° | 178.9° |
| H75 | C48 | C49 | O37 | 164.1° | 54.4° |
| H75 | C48 | C49 | H76 | 75.6° | 65.6° |
| H75 | C48 | C49 | H77 | 43.8° | 174.4° |
| O37 | C49 | H76 | H77 | 119.1° | 120.0° |
| H76 | C49 | O37 | H83 | 59.7° | 59.9° |
| H77 | C49 | O37 | H83 | 59.7° | 60.0° |
| C51 | C50 | N3 | O38 | 179.9° | 179.9° |
| C50 | C51 | H78 | H79 | 120.0° | 120.0° |
| C50 | C51 | H78 | H80 | 120.1° | 120.0° |
| C50 | C51 | H79 | H80 | 120.0° | 120.0° |
| C51 | C50 | N3 | H81 | 0.1° | 0.0° |
| N3 | C50 | C51 | H78 | 179.9° | 90.0° |
| N3 | C50 | C51 | H79 | 60.0° | 150.0° |
| N3 | C50 | C51 | H80 | 60.0° | 30.0° |
| O38 | C50 | C51 | H78 | 0.0° | 90.1° |
| O38 | C50 | C51 | H79 | 120.0° | 29.9° |
| O38 | C50 | C51 | H80 | 120.0° | 149.9° |
| O38 | C50 | N3 | H81 | 179.9° | 179.9° |
| H78 | C51 | H79 | H80 | 120.0° | 120.0° |
| C53 | C52 | O42 | H84 | 119.0° | 120.0° |
| C53 | C52 | O42 | O35 | 119.0° | 120.0° |
| C53 | C52 | H84 | O35 | 116.1° | 120.0° |
| C52 | C53 | C54 | O39 | 123.6° | 120.0° |
| C52 | C53 | C54 | H85 | 118.8° | 119.9° |
| C52 | C53 | O39 | H85 | 119.5° | 120.2° |
| C52 | C53 | C54 | C55 | 52.8° | 57.0° |
| C52 | C53 | C54 | O40 | 171.5° | 176.8° |
| C52 | C53 | C54 | H86 | 66.7° | 62.9° |
| C53 | C52 | O42 | C56 | 56.1° | 61.1° |
| C52 | C53 | O39 | H91 | 180.0° | 60.0° |
| O42 | C52 | H84 | O35 | 123.6° | 120.1° |
| O42 | C52 | C53 | C54 | 53.8° | 57.6° |
| O42 | C52 | C53 | O39 | 174.7° | 177.5° |
| O42 | C52 | C53 | H85 | 65.0° | 62.3° |
| C52 | O42 | C56 | C55 | 57.1° | 61.1° |
| C52 | O42 | C56 | C57 | 178.3° | 178.9° |
| C52 | O42 | C56 | H88 | 62.6° | 58.9° |
| H84 | C52 | C53 | C54 | 66.2° | 62.4° |
| H84 | C52 | C53 | O39 | 54.6° | 57.5° |
| H84 | C52 | C53 | H85 | 175.0° | 177.7° |
| H84 | C52 | O42 | C56 | 62.9° | 58.9° |
| C54 | C53 | O39 | H85 | 116.7° | 120.1° |
| C53 | C54 | C55 | O40 | 120.8° | 119.8° |
| C53 | C54 | C55 | H86 | 119.6° | 119.9° |
| C53 | C54 | O40 | H86 | 120.9° | 120.3° |
| C53 | C54 | C55 | C56 | 51.3° | 57.0° |
| C53 | C54 | C55 | O41 | 70.2° | 62.9° |
| C53 | C54 | C55 | H87 | 169.4° | 176.9° |
| C54 | C53 | O39 | H91 | 56.3° | 179.7° |
| C53 | C54 | O40 | H92 | 180.0° | 60.0° |
| C54 | C53 | C52 | O35 | 176.0° | 177.6° |
| O39 | C53 | C54 | C55 | 176.4° | 176.9° |
| O39 | C53 | C54 | O40 | 64.9° | 63.2° |
| O39 | C53 | C54 | H86 | 56.9° | 57.0° |
| O39 | C53 | C52 | O35 | 63.1° | 62.5° |
| H85 | C53 | C54 | C55 | 66.0° | 62.9° |
| H85 | C53 | C54 | O40 | 52.7° | 56.9° |
| H85 | C53 | C54 | H86 | 174.5° | 177.2° |
| H85 | C53 | O39 | H91 | 60.5° | 60.2° |
| H85 | C53 | C52 | O35 | 57.2° | 57.7° |
| C55 | C54 | O40 | H86 | 118.6° | 120.2° |
| C54 | C55 | C56 | O41 | 121.7° | 119.9° |
| C54 | C55 | C56 | H87 | 118.1° | 119.9° |
| C54 | C55 | O41 | H87 | 119.4° | 120.1° |
| C54 | C55 | C56 | C57 | 172.2° | 177.6° |
| C54 | C55 | C56 | O42 | 52.7° | 57.6° |
| C54 | C55 | C56 | H88 | 67.7° | 62.4° |
| C55 | C54 | O40 | H92 | 59.5° | 179.6° |
| C54 | C55 | O41 | H93 | 180.0° | 60.0° |
| O40 | C54 | C55 | C56 | 172.1° | 176.8° |
| O40 | C54 | C55 | O41 | 50.6° | 56.9° |
| O40 | C54 | C55 | H87 | 69.8° | 63.3° |
| H86 | C54 | C55 | C56 | 68.3° | 62.9° |
| H86 | C54 | C55 | O41 | 170.2° | 177.2° |
| H86 | C54 | C55 | H87 | 49.8° | 57.0° |
| H86 | C54 | O40 | H92 | 59.1° | 60.2° |
| C56 | C55 | O41 | H87 | 119.3° | 120.2° |
| C55 | C56 | C57 | O42 | 123.6° | 120.0° |
| C55 | C56 | C57 | H88 | 120.1° | 120.1° |
| C55 | C56 | O42 | H88 | 119.8° | 120.0° |
| C55 | C56 | C57 | O43 | 172.3° | 175.0° |
| C55 | C56 | C57 | H89 | 67.5° | 55.0° |
| C55 | C56 | C57 | H90 | 52.0° | 65.0° |
| C56 | C55 | O41 | H93 | 58.7° | 179.6° |
| O41 | C55 | C56 | C57 | 50.5° | 57.7° |
| O41 | C55 | C56 | O42 | 68.9° | 62.3° |
| O41 | C55 | C56 | H88 | 170.6° | 177.7° |
| H87 | C55 | C56 | C57 | 69.7° | 62.5° |
| H87 | C55 | C56 | O42 | 170.8° | 177.5° |
| H87 | C55 | C56 | H88 | 50.4° | 57.5° |
| H87 | C55 | O41 | H93 | 60.6° | 60.2° |
| C57 | C56 | O42 | H88 | 115.6° | 120.0° |
| C56 | C57 | O43 | H89 | 120.3° | 120.0° |
| C56 | C57 | O43 | H90 | 120.3° | 120.0° |
| C56 | C57 | H89 | H90 | 119.2° | 120.0° |
| C56 | C57 | O43 | C59 | 123.8° | 177.4° |
| O42 | C56 | C57 | O43 | 48.7° | 65.0° |
| O42 | C56 | C57 | H89 | 169.0° | 175.0° |
| O42 | C56 | C57 | H90 | 71.5° | 55.0° |
| C56 | O42 | C52 | O35 | 175.1° | 178.9° |
| H88 | C56 | C57 | O43 | 67.7° | 54.9° |
| H88 | C56 | C57 | H89 | 52.6° | 65.1° |
| H88 | C56 | C57 | H90 | 172.1° | 174.9° |
| O43 | C57 | H89 | H90 | 119.2° | 119.9° |
| C57 | O43 | C59 | C58 | 41.8° | 174.2° |
| C57 | O43 | C59 | C60 | 171.1° | 65.8° |
| C57 | O43 | C59 | O47 | 74.3° | 54.2° |
| H89 | C57 | O43 | C59 | 3.5° | 62.6° |
| H90 | C57 | O43 | C59 | 116.0° | 57.4° |
| C59 | C58 | O44 | O45 | 180.0° | 179.9° |
| C58 | C59 | C60 | O47 | 123.0° | 120.0° |
| C58 | C59 | C60 | O43 | 128.0° | 120.0° |
| C58 | C59 | O47 | O43 | 117.6° | 120.0° |
| C58 | C59 | C60 | C61 | 70.5° | 62.4° |
| C58 | C59 | C60 | H94 | 168.8° | 177.7° |
| C58 | C59 | C60 | H95 | 50.2° | 57.5° |
| C58 | C59 | O47 | C63 | 71.0° | 58.8° |
| C59 | C58 | O45 | H107 | 180.0° | 180.0° |
| O44 | C58 | C59 | C60 | 28.1° | 123.8° |
| O44 | C58 | C59 | O47 | 150.5° | 116.3° |
| O44 | C58 | O45 | H107 | 0.0° | 0.1° |
| O44 | C58 | C59 | O43 | 99.6° | 3.8° |
| O45 | C58 | C59 | C60 | 151.9° | 56.3° |
| O45 | C58 | C59 | O47 | 29.5° | 63.7° |
| O45 | C58 | C59 | O43 | 80.4° | 176.3° |
| C60 | C59 | O47 | O43 | 116.6° | 120.0° |
| C59 | C60 | C61 | H94 | 120.7° | 120.0° |
| C59 | C60 | C61 | H95 | 120.7° | 119.9° |
| C59 | C60 | H94 | H95 | 117.8° | 120.1° |
| C59 | C60 | C61 | C62 | 53.6° | 57.0° |
| C59 | C60 | C61 | O46 | 172.9° | 176.8° |
| C59 | C60 | C61 | H96 | 65.0° | 62.9° |
| C60 | C59 | O47 | C63 | 54.7° | 61.1° |
| O47 | C59 | C60 | C61 | 52.5° | 57.6° |
| O47 | C59 | C60 | H94 | 68.2° | 62.4° |
| O47 | C59 | C60 | H95 | 173.2° | 177.5° |
| C59 | O47 | C63 | C62 | 57.3° | 61.1° |
| C59 | O47 | C63 | C64 | 179.9° | 178.9° |
| C59 | O47 | C63 | H98 | 62.2° | 58.8° |
| C61 | C60 | H94 | H95 | 117.9° | 120.1° |
| C60 | C61 | C62 | O46 | 121.8° | 119.9° |
| C60 | C61 | C62 | H96 | 118.7° | 119.9° |
| C60 | C61 | O46 | H96 | 121.3° | 120.3° |
| C60 | C61 | C62 | C63 | 52.7° | 57.0° |
| C60 | C61 | C62 | N4 | 179.6° | 176.9° |
| C60 | C61 | C62 | H97 | 62.0° | 62.9° |
| C60 | C61 | O46 | H108 | 180.0° | 60.0° |
| C61 | C60 | C59 | O43 | 161.4° | 177.6° |
| H94 | C60 | C61 | C62 | 67.1° | 63.0° |
| H94 | C60 | C61 | O46 | 52.3° | 56.9° |
| H94 | C60 | C61 | H96 | 174.3° | 177.2° |
| H94 | C60 | C59 | O43 | 40.8° | 57.6° |
| H95 | C60 | C61 | C62 | 174.3° | 176.9° |
| H95 | C60 | C61 | O46 | 66.4° | 63.3° |
| H95 | C60 | C61 | H96 | 55.7° | 57.0° |
| H95 | C60 | C59 | O43 | 77.8° | 62.5° |
| C62 | C61 | O46 | H96 | 118.7° | 120.2° |
| C61 | C62 | C63 | N4 | 129.5° | 119.9° |
| C61 | C62 | C63 | H97 | 114.8° | 119.8° |
| C61 | C62 | N4 | H97 | 118.0° | 120.1° |
| C61 | C62 | C63 | C64 | 176.1° | 177.6° |
| C61 | C62 | C63 | O47 | 55.1° | 57.5° |
| C61 | C62 | C63 | H98 | 65.4° | 62.4° |
| C61 | C62 | N4 | C67 | 66.5° | 85.0° |
| C61 | C62 | N4 | H106 | 113.5° | 95.0° |
| C62 | C61 | O46 | H108 | 60.1° | 179.6° |
| O46 | C61 | C62 | C63 | 174.5° | 176.8° |
| O46 | C61 | C62 | N4 | 58.6° | 63.2° |
| O46 | C61 | C62 | H97 | 59.8° | 57.0° |
| H96 | C61 | C62 | C63 | 65.9° | 62.9° |
| H96 | C61 | C62 | N4 | 61.0° | 57.0° |
| H96 | C61 | C62 | H97 | 179.4° | 177.2° |
| H96 | C61 | O46 | H108 | 58.7° | 60.2° |
| C63 | C62 | N4 | H97 | 115.2° | 120.2° |
| C62 | C63 | C64 | O47 | 122.8° | 120.0° |
| C62 | C63 | C64 | H98 | 118.4° | 120.0° |
| C62 | C63 | O47 | H98 | 119.5° | 119.9° |
| C62 | C63 | C64 | C65 | 153.1° | 175.0° |
| C62 | C63 | C64 | O48 | 80.4° | 55.0° |
| C62 | C63 | C64 | H99 | 36.8° | 65.0° |
| C63 | C62 | N4 | C67 | 60.3° | 155.3° |
| C63 | C62 | N4 | H106 | 119.7° | 24.7° |
| N4 | C62 | C63 | C64 | 54.4° | 62.5° |
| N4 | C62 | C63 | O47 | 175.4° | 177.5° |
| N4 | C62 | C63 | H98 | 64.0° | 57.5° |
| C62 | N4 | C67 | C68 | 1.5° | 180.0° |
| C62 | N4 | C67 | H106 | 180.0° | 180.0° |
| C62 | N4 | C67 | O51 | 179.3° | 0.0° |
| H97 | C62 | C63 | C64 | 61.3° | 57.8° |
| H97 | C62 | C63 | O47 | 59.7° | 62.3° |
| H97 | C62 | C63 | H98 | 179.8° | 177.8° |
| H97 | C62 | N4 | C67 | 175.5° | 35.1° |
| H97 | C62 | N4 | H106 | 4.5° | 144.9° |
| C64 | C63 | O47 | H98 | 117.7° | 120.1° |
| C63 | C64 | C65 | O48 | 125.3° | 120.0° |
| C63 | C64 | C65 | H99 | 116.3° | 120.1° |
| C63 | C64 | O48 | H99 | 116.4° | 120.0° |
| C63 | C64 | C65 | C66 | 22.4° | 180.0° |
| C63 | C64 | C65 | O49 | 102.5° | 60.0° |
| C63 | C64 | C65 | H100 | 139.8° | 59.9° |
| C63 | C64 | O48 | H109 | 180.0° | 60.0° |
| O47 | C63 | C64 | C65 | 84.1° | 55.0° |
| O47 | C63 | C64 | O48 | 42.4° | 64.9° |
| O47 | C63 | C64 | H99 | 159.6° | 175.1° |
| C63 | O47 | C59 | O43 | 171.3° | 178.9° |
| H98 | C63 | C64 | C65 | 34.7° | 65.0° |
| H98 | C63 | C64 | O48 | 161.1° | 175.0° |
| H98 | C63 | C64 | H99 | 81.6° | 55.0° |
| C65 | C64 | O48 | H99 | 117.5° | 120.0° |
| C64 | C65 | C66 | O49 | 123.9° | 120.0° |
| C64 | C65 | C66 | H100 | 117.2° | 120.0° |
| C64 | C65 | O49 | H100 | 116.7° | 120.0° |
| C64 | C65 | C66 | O50 | 106.9° | 175.0° |
| C64 | C65 | C66 | H101 | 13.2° | 55.0° |
| C64 | C65 | C66 | H102 | 133.0° | 65.0° |
| C65 | C64 | O48 | H109 | 53.9° | 60.0° |
| C64 | C65 | O49 | H110 | 180.0° | 60.0° |
| O48 | C64 | C65 | C66 | 147.7° | 60.0° |
| O48 | C64 | C65 | O49 | 22.8° | 180.0° |
| O48 | C64 | C65 | H100 | 94.9° | 60.0° |
| H99 | C64 | C65 | C66 | 93.9° | 60.0° |
| H99 | C64 | C65 | O49 | 141.2° | 60.1° |
| H99 | C64 | C65 | H100 | 23.5° | 180.0° |
| H99 | C64 | O48 | H109 | 63.6° | 180.0° |
| C66 | C65 | O49 | H100 | 118.2° | 120.0° |
| C65 | C66 | O50 | H101 | 120.1° | 120.1° |
| C65 | C66 | O50 | H102 | 120.1° | 120.0° |
| C65 | C66 | H101 | H102 | 119.7° | 120.1° |
| C66 | C65 | O49 | H110 | 54.9° | 60.0° |
| C65 | C66 | O50 | H111 | 180.0° | 180.0° |
| O49 | C65 | C66 | O50 | 129.2° | 65.0° |
| O49 | C65 | C66 | H101 | 110.7° | 175.0° |
| O49 | C65 | C66 | H102 | 9.1° | 55.0° |
| H100 | C65 | C66 | O50 | 10.3° | 55.0° |
| H100 | C65 | C66 | H101 | 130.4° | 65.0° |
| H100 | C65 | C66 | H102 | 109.8° | 175.0° |
| H100 | C65 | O49 | H110 | 63.3° | 180.0° |
| O50 | C66 | H101 | H102 | 119.7° | 119.9° |
| H101 | C66 | O50 | H111 | 59.9° | 60.0° |
| H102 | C66 | O50 | H111 | 59.9° | 59.9° |
| C68 | C67 | N4 | O51 | 179.3° | 180.0° |
| C67 | C68 | H103 | H104 | 120.0° | 120.1° |
| C67 | C68 | H103 | H105 | 120.0° | 119.9° |
| C67 | C68 | H104 | H105 | 120.0° | 120.0° |
| C68 | C67 | N4 | H106 | 178.5° | 0.1° |
| N4 | C67 | C68 | H103 | 179.3° | 89.9° |
| N4 | C67 | C68 | H104 | 59.3° | 150.0° |
| N4 | C67 | C68 | H105 | 60.7° | 30.0° |
| O51 | C67 | C68 | H103 | 0.0° | 90.0° |
| O51 | C67 | C68 | H104 | 120.0° | 30.1° |
| O51 | C67 | C68 | H105 | 120.0° | 150.1° |
| O51 | C67 | N4 | H106 | 0.7° | 180.0° |
| H103 | C68 | H104 | H105 | 120.0° | 119.9° |
| C70 | C69 | O52 | O55 | 130.5° | 125.3° |
| C70 | C69 | O52 | H112 | 114.2° | 114.6° |
| C70 | C69 | O55 | H112 | 116.3° | 122.8° |
| C69 | C70 | C71 | N5 | 119.8° | 111.8° |
| C69 | C70 | C71 | H113 | 125.3° | 125.7° |
| C69 | C70 | N5 | H113 | 121.1° | 118.1° |
| C69 | C70 | C71 | C72 | 27.2° | 40.7° |
| C69 | C70 | C71 | O53 | 147.8° | 161.3° |
| C69 | C70 | C71 | H114 | 93.8° | 80.0° |
| C70 | C69 | O55 | C73 | 59.0° | 42.5° |
| C69 | C70 | N5 | C75 | 4.2° | 16.5° |
| C70 | C69 | O52 | C75 | 23.5° | 26.8° |
| C69 | C70 | N5 | H122 | 175.8° | 163.4° |
| O52 | C69 | O55 | H112 | 116.0° | 120.2° |
| O52 | C69 | C70 | C71 | 98.1° | 90.3° |
| O52 | C69 | C70 | N5 | 18.3° | 25.5° |
| O52 | C69 | C70 | H113 | 138.0° | 144.0° |
| O52 | C69 | O55 | C73 | 68.8° | 74.5° |
| C69 | O52 | C75 | C76 | 157.5° | 161.8° |
| C69 | O52 | C75 | N5 | 21.9° | 18.1° |
| O55 | C69 | C70 | C71 | 34.0° | 32.3° |
| O55 | C69 | C70 | N5 | 150.4° | 148.2° |
| O55 | C69 | C70 | H113 | 89.9° | 93.3° |
| C69 | O55 | C73 | C72 | 74.1° | 57.6° |
| C69 | O55 | C73 | C74 | 167.2° | 177.2° |
| C69 | O55 | C73 | H116 | 46.8° | 62.1° |
| O55 | C69 | O52 | C75 | 154.0° | 152.1° |
| H112 | C69 | C70 | C71 | 148.6° | 155.1° |
| H112 | C69 | C70 | N5 | 94.9° | 89.0° |
| H112 | C69 | C70 | H113 | 24.8° | 29.5° |
| H112 | C69 | O55 | C73 | 175.2° | 165.3° |
| H112 | C69 | O52 | C75 | 90.7° | 87.8° |
| C71 | C70 | N5 | H113 | 114.5° | 122.0° |
| C70 | C71 | C72 | O53 | 120.1° | 120.6° |
| C70 | C71 | C72 | H114 | 120.5° | 120.6° |
| C70 | C71 | O53 | H114 | 116.9° | 118.8° |
| C70 | C71 | C72 | C73 | 41.2° | 56.2° |
| C70 | C71 | C72 | O54 | 163.0° | 175.9° |
| C70 | C71 | C72 | H115 | 77.7° | 63.5° |
| C71 | C70 | N5 | C75 | 120.2° | 103.4° |
| C71 | C70 | N5 | H122 | 59.9° | 76.7° |
| C70 | C71 | O53 | H123 | 180.0° | 60.0° |
| N5 | C70 | C71 | C72 | 147.0° | 152.5° |
| N5 | C70 | C71 | O53 | 92.4° | 86.9° |
| N5 | C70 | C71 | H114 | 26.0° | 31.9° |
| C70 | N5 | C75 | C76 | 167.7° | 179.8° |
| C70 | N5 | C75 | H122 | 180.0° | 180.0° |
| C70 | N5 | C75 | O52 | 11.7° | 0.0° |
| H113 | C70 | C71 | C72 | 98.1° | 85.0° |
| H113 | C70 | C71 | O53 | 22.5° | 35.6° |
| H113 | C70 | C71 | H114 | 140.9° | 154.3° |
| H113 | C70 | N5 | C75 | 125.3° | 134.6° |
| H113 | C70 | N5 | H122 | 54.7° | 45.3° |
| C72 | C71 | O53 | H114 | 118.5° | 118.9° |
| C71 | C72 | C73 | O54 | 121.1° | 119.7° |
| C71 | C72 | C73 | H115 | 118.8° | 119.8° |
| C71 | C72 | O54 | H115 | 119.0° | 120.6° |
| C71 | C72 | C73 | C74 | 174.6° | 177.5° |
| C71 | C72 | C73 | O55 | 68.7° | 62.9° |
| C71 | C72 | C73 | H116 | 53.2° | 56.8° |
| C72 | C71 | O53 | H123 | 55.5° | 177.7° |
| C71 | C72 | O54 | C1 | 90.9° | 134.4° |
| O53 | C71 | C72 | C73 | 161.3° | 176.8° |
| O53 | C71 | C72 | O54 | 76.9° | 63.5° |
| O53 | C71 | C72 | H115 | 42.4° | 57.0° |
| H114 | C71 | C72 | C73 | 79.3° | 64.4° |
| H114 | C71 | C72 | O54 | 42.5° | 55.3° |
| H114 | C71 | C72 | H115 | 161.7° | 175.8° |
| H114 | C71 | O53 | H123 | 63.0° | 58.8° |
| C73 | C72 | O54 | H115 | 120.0° | 120.5° |
| C72 | C73 | C74 | O55 | 116.2° | 118.7° |
| C72 | C73 | C74 | H116 | 122.0° | 120.7° |
| C72 | C73 | O55 | H116 | 120.9° | 119.7° |
| C72 | C73 | C74 | O56 | 73.0° | 175.0° |
| C72 | C73 | C74 | H117 | 168.6° | 55.1° |
| C72 | C73 | C74 | H118 | 45.4° | 64.9° |
| C73 | C72 | O54 | C1 | 148.1° | 106.7° |
| O54 | C72 | C73 | C74 | 53.6° | 57.8° |
| O54 | C72 | C73 | O55 | 170.3° | 177.4° |
| O54 | C72 | C73 | H116 | 67.9° | 62.9° |
| H115 | C72 | C73 | C74 | 66.5° | 62.8° |
| H115 | C72 | C73 | O55 | 50.2° | 56.9° |
| H115 | C72 | C73 | H116 | 172.0° | 176.5° |
| H115 | C72 | O54 | C1 | 28.1° | 13.8° |
| C74 | C73 | O55 | H116 | 120.3° | 120.6° |
| C73 | C74 | O56 | H117 | 118.4° | 119.9° |
| C73 | C74 | O56 | H118 | 118.4° | 120.0° |
| C73 | C74 | H117 | H118 | 124.5° | 120.0° |
| C73 | C74 | O56 | H124 | 180.0° | 180.0° |
| O55 | C73 | C74 | O56 | 43.2° | 66.3° |
| O55 | C73 | C74 | H117 | 75.2° | 173.7° |
| O55 | C73 | C74 | H118 | 161.6° | 53.7° |
| H116 | C73 | C74 | O56 | 165.0° | 54.3° |
| H116 | C73 | C74 | H117 | 46.6° | 65.7° |
| H116 | C73 | C74 | H118 | 76.6° | 174.3° |
| O56 | C74 | H117 | H118 | 124.5° | 120.0° |
| H117 | C74 | O56 | H124 | 61.6° | 60.1° |
| H118 | C74 | O56 | H124 | 61.6° | 59.9° |
| C76 | C75 | N5 | O52 | 179.4° | 179.9° |
| C75 | C76 | H119 | H120 | 120.0° | 120.0° |
| C75 | C76 | H119 | H121 | 120.0° | 120.0° |
| C75 | C76 | H120 | H121 | 120.0° | 120.0° |
| C76 | C75 | N5 | H122 | 12.3° | 0.1° |
| N5 | C75 | C76 | H119 | 179.3° | 90.0° |
| N5 | C75 | C76 | H120 | 59.3° | 150.0° |
| N5 | C75 | C76 | H121 | 60.7° | 30.0° |
| O52 | C75 | C76 | H119 | 0.0° | 90.1° |
| O52 | C75 | C76 | H120 | 120.0° | 29.9° |
| O52 | C75 | C76 | H121 | 120.0° | 149.9° |
| O52 | C75 | N5 | H122 | 168.3° | 180.0° |
| H119 | C76 | H120 | H121 | 120.0° | 120.0° |
