PRD_000106
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 0.00Å | |
| C1 | O2 | sing | 1.35Å | 0.00Å | |
| O2 | C2 | sing | 1.45Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C2 | C4 | sing | 1.53Å | 0.00Å | |
| C2 | C5 | sing | 1.53Å | 0.00Å | |
| C3 | H1 | sing | 1.09Å | 0.00Å | |
| C3 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | H3 | sing | 1.09Å | 0.00Å | |
| C4 | H4 | sing | 1.09Å | 0.00Å | |
| C4 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C5 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C5 | H9 | sing | 1.09Å | 0.00Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.46Å | 1.46Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | C18 | sing | 1.47Å | 1.45Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| N4 | C24 | sing | 1.47Å | 1.45Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| N5 | C30 | sing | 1.46Å | 1.45Å | |
| N5 | H54 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | O7 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| N6 | C36 | sing | 1.46Å | 1.46Å | |
| N6 | H65 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | O8 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C41 | H75 | sing | 1.09Å | 1.10Å | |
| N7 | C42 | sing | 1.46Å | 1.45Å | |
| N7 | H76 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| C43 | O9 | doub | 1.21Å | 1.23Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C44 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C45 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C47 | H84 | sing | 1.09Å | 1.10Å | |
| C47 | H85 | sing | 1.09Å | 1.10Å | |
| C47 | H86 | sing | 1.09Å | 1.10Å | |
| N8 | C48 | sing | 1.47Å | 1.45Å | |
| N8 | H87 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H88 | sing | 1.09Å | 1.10Å | |
| C49 | O10 | doub | 1.21Å | 1.23Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | H89 | sing | 1.09Å | 1.10Å | |
| C50 | H90 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H91 | sing | 1.09Å | 1.10Å | |
| C51 | H92 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | H93 | sing | 1.09Å | 1.10Å | |
| C52 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C53 | H96 | sing | 1.09Å | 1.10Å | |
| C53 | H97 | sing | 1.09Å | 1.10Å | |
| O11 | C54 | doub | 1.21Å | 1.23Å | |
| C54 | C56 | sing | 1.51Å | 1.54Å | |
| C56 | N9 | sing | 1.46Å | 1.47Å | |
| C55 | N9 | sing | 1.47Å | 1.46Å | |
| H101 | C55 | sing | 1.09Å | 1.10Å | |
| C55 | H103 | sing | 1.09Å | 1.10Å | |
| C55 | H102 | sing | 1.09Å | 1.10Å | |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| C56 | H98 | sing | 1.09Å | 1.10Å | |
| H99 | C57 | sing | 1.09Å | 1.10Å | |
| H100 | C57 | sing | 1.09Å | 1.10Å | |
| C57 | C60 | sing | 1.53Å | 1.54Å | |
| C59 | C58 | sing | 1.53Å | 1.53Å | |
| H105 | C58 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | C60 | sing | 1.53Å | 1.53Å | |
| H107 | C59 | sing | 1.09Å | 1.10Å | |
| H108 | C59 | sing | 1.09Å | 1.10Å | |
| C59 | H106 | sing | 1.09Å | 1.10Å | |
| C60 | H110 | sing | 1.09Å | 1.10Å | |
| C60 | H109 | sing | 1.09Å | 1.10Å | |
| N10 | C61 | sing | 1.47Å | 1.46Å | |
| N10 | H111 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.53Å | |
| C61 | C63 | sing | 1.53Å | 1.53Å | |
| C61 | H112 | sing | 1.09Å | 1.10Å | |
| C62 | O12 | doub | 1.21Å | 1.23Å | |
| C63 | C64 | sing | 1.53Å | 1.54Å | |
| C63 | H113 | sing | 1.09Å | 1.10Å | |
| C63 | H114 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C64 | H115 | sing | 1.09Å | 1.10Å | |
| C64 | H116 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | H117 | sing | 1.09Å | 1.10Å | |
| C65 | H118 | sing | 1.09Å | 1.10Å | |
| C66 | H119 | sing | 1.09Å | 1.10Å | |
| C66 | H120 | sing | 1.09Å | 1.10Å | |
| C66 | H121 | sing | 1.09Å | 1.10Å | |
| N11 | C67 | sing | 1.46Å | 1.45Å | |
| N11 | H122 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.51Å | 1.53Å | |
| C67 | C69 | sing | 1.53Å | 1.53Å | |
| C67 | H123 | sing | 1.09Å | 1.10Å | |
| C68 | O13 | doub | 1.21Å | 1.23Å | |
| C69 | C70 | sing | 1.53Å | 1.54Å | |
| C69 | H124 | sing | 1.09Å | 1.10Å | |
| C69 | H125 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| C70 | H126 | sing | 1.09Å | 1.10Å | |
| C70 | H127 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.53Å | 1.53Å | |
| C71 | H128 | sing | 1.09Å | 1.10Å | |
| C71 | H129 | sing | 1.09Å | 1.10Å | |
| C72 | H130 | sing | 1.09Å | 1.10Å | |
| C72 | H131 | sing | 1.09Å | 1.10Å | |
| C72 | H132 | sing | 1.09Å | 1.10Å | |
| N12 | C73 | sing | 1.47Å | 1.46Å | |
| N12 | H133 | sing | 0.97Å | 1.00Å | |
| C73 | C74 | sing | 1.51Å | 1.53Å | |
| C73 | C75 | sing | 1.53Å | 1.54Å | |
| C73 | H134 | sing | 1.09Å | 1.10Å | |
| C74 | O14 | doub | 1.21Å | 1.23Å | |
| C74 | O15 | sing | 1.34Å | 1.36Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C75 | H135 | sing | 1.09Å | 1.10Å | |
| C75 | H136 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.53Å | |
| C76 | H137 | sing | 1.09Å | 1.10Å | |
| C76 | H138 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.53Å | |
| C77 | H139 | sing | 1.09Å | 1.10Å | |
| C77 | H140 | sing | 1.09Å | 1.10Å | |
| C78 | H141 | sing | 1.09Å | 1.10Å | |
| C78 | H142 | sing | 1.09Å | 1.10Å | |
| C78 | H143 | sing | 1.09Å | 1.10Å | |
| O15 | C79 | sing | 1.45Å | 41.61Å | |
| C79 | H144 | sing | 1.09Å | 0.00Å | |
| C79 | H145 | sing | 1.09Å | 0.00Å | |
| C79 | H146 | sing | 1.09Å | 0.00Å | |
| C1 | N1 | sing | 1.35Å | 35.62Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | N3 | sing | 1.35Å | 1.34Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| C25 | N5 | sing | 1.35Å | 1.33Å | |
| C31 | N6 | sing | 1.35Å | 1.34Å | |
| C37 | N7 | sing | 1.35Å | 1.33Å | |
| C43 | N8 | sing | 1.35Å | 1.33Å | |
| C49 | N9 | sing | 1.35Å | 1.34Å | |
| C54 | N10 | sing | 1.35Å | 1.33Å | |
| C62 | N11 | sing | 1.35Å | 1.33Å | |
| C68 | N12 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | O2 | C2 | 90.0° | 117.1° |
| O2 | C1 | N1 | 90.0° | 120.0° |
| O2 | C2 | C3 | 90.0° | 109.4° |
| O2 | C2 | C4 | 90.0° | 109.5° |
| O2 | C2 | C5 | 90.0° | 109.5° |
| C3 | C2 | C4 | 90.0° | 109.5° |
| C3 | C2 | C5 | 90.0° | 109.5° |
| C2 | C3 | H1 | 90.0° | 109.5° |
| C2 | C3 | H2 | 90.0° | 109.5° |
| C2 | C3 | H3 | 90.0° | 109.5° |
| C4 | C2 | C5 | 90.0° | 109.5° |
| C2 | C4 | H4 | 90.0° | 109.5° |
| C2 | C4 | H5 | 90.0° | 109.4° |
| C2 | C4 | H6 | 90.0° | 109.5° |
| C2 | C5 | H7 | 90.0° | 109.4° |
| C2 | C5 | H8 | 90.0° | 109.5° |
| C2 | C5 | H9 | 90.0° | 109.5° |
| H1 | C3 | H2 | 90.0° | 109.5° |
| H1 | C3 | H3 | 90.0° | 109.4° |
| H2 | C3 | H3 | 90.0° | 109.5° |
| H4 | C4 | H5 | 90.0° | 109.5° |
| H4 | C4 | H6 | 90.0° | 109.5° |
| H5 | C4 | H6 | 90.0° | 109.5° |
| H7 | C5 | H8 | 90.0° | 109.4° |
| H7 | C5 | H9 | 90.0° | 109.5° |
| H8 | C5 | H9 | 90.0° | 109.5° |
| C6 | N1 | H10 | 159.9° | 120.0° |
| N1 | C6 | C7 | 112.8° | 109.5° |
| N1 | C6 | C8 | 109.4° | 109.5° |
| N1 | C6 | H11 | 108.3° | 109.5° |
| C6 | N1 | C1 | 40.1° | 120.0° |
| H10 | N1 | C1 | 160.0° | 120.0° |
| C7 | C6 | C8 | 110.8° | 109.5° |
| C7 | C6 | H11 | 107.6° | 109.4° |
| C6 | C7 | O3 | 119.7° | 120.0° |
| C6 | C7 | N2 | 118.4° | 120.0° |
| C8 | C6 | H11 | 107.7° | 109.5° |
| C6 | C8 | C9 | 112.4° | 109.5° |
| C6 | C8 | H12 | 108.7° | 109.5° |
| C6 | C8 | H13 | 108.7° | 109.5° |
| O3 | C7 | N2 | 121.9° | 120.0° |
| C9 | C8 | H12 | 108.8° | 109.5° |
| C9 | C8 | H13 | 108.7° | 109.5° |
| C8 | C9 | C10 | 112.0° | 109.5° |
| C8 | C9 | H14 | 108.8° | 109.4° |
| C8 | C9 | H15 | 108.8° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| C10 | C9 | H14 | 108.8° | 109.5° |
| C10 | C9 | H15 | 108.8° | 109.5° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C9 | C10 | H16 | 108.7° | 109.5° |
| C9 | C10 | H17 | 108.7° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C11 | C10 | H16 | 108.7° | 109.5° |
| C11 | C10 | H17 | 108.7° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.4° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H18 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| C12 | N2 | H21 | 117.5° | 120.0° |
| N2 | C12 | C13 | 106.5° | 109.4° |
| N2 | C12 | C14 | 110.9° | 109.5° |
| N2 | C12 | H22 | 110.3° | 109.5° |
| C12 | N2 | C7 | 125.0° | 120.0° |
| H21 | N2 | C7 | 117.5° | 120.0° |
| C13 | C12 | C14 | 110.6° | 109.5° |
| C13 | C12 | H22 | 109.4° | 109.5° |
| C12 | C13 | O4 | 119.6° | 120.0° |
| C12 | C13 | N3 | 118.0° | 120.0° |
| C14 | C12 | H22 | 109.2° | 109.4° |
| C12 | C14 | C15 | 112.5° | 109.4° |
| C12 | C14 | H23 | 108.7° | 109.4° |
| C12 | C14 | H24 | 108.7° | 109.5° |
| O4 | C13 | N3 | 122.4° | 120.0° |
| C15 | C14 | H23 | 108.7° | 109.5° |
| C15 | C14 | H24 | 108.7° | 109.5° |
| C14 | C15 | C16 | 110.3° | 109.4° |
| C14 | C15 | H25 | 109.2° | 109.5° |
| C14 | C15 | H26 | 109.3° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| C16 | C15 | H25 | 109.3° | 109.5° |
| C16 | C15 | H26 | 109.2° | 109.5° |
| C15 | C16 | C17 | 110.4° | 109.4° |
| C15 | C16 | H27 | 109.3° | 109.4° |
| C15 | C16 | H28 | 109.2° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| C17 | C16 | H27 | 109.2° | 109.5° |
| C17 | C16 | H28 | 109.2° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C16 | C17 | H30 | 109.5° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.4° | 109.5° |
| H29 | C17 | H30 | 109.4° | 109.5° |
| H29 | C17 | H31 | 109.5° | 109.4° |
| H30 | C17 | H31 | 109.5° | 109.4° |
| C18 | N3 | H32 | 119.3° | 120.0° |
| N3 | C18 | C19 | 107.0° | 109.5° |
| N3 | C18 | C20 | 111.1° | 109.4° |
| N3 | C18 | H33 | 109.2° | 109.5° |
| C18 | N3 | C13 | 121.4° | 120.0° |
| H32 | N3 | C13 | 119.3° | 120.1° |
| C19 | C18 | C20 | 112.9° | 109.5° |
| C19 | C18 | H33 | 108.2° | 109.5° |
| C18 | C19 | O5 | 121.0° | 120.0° |
| C18 | C19 | N4 | 116.0° | 120.0° |
| C20 | C18 | H33 | 108.3° | 109.5° |
| C18 | C20 | C21 | 110.7° | 109.5° |
| C18 | C20 | H34 | 109.2° | 109.4° |
| C18 | C20 | H35 | 109.2° | 109.4° |
| O5 | C19 | N4 | 123.0° | 120.0° |
| C21 | C20 | H34 | 109.2° | 109.5° |
| C21 | C20 | H35 | 109.2° | 109.5° |
| C20 | C21 | C22 | 109.4° | 109.5° |
| C20 | C21 | H36 | 109.5° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.4° | 109.5° |
| C22 | C21 | H36 | 109.5° | 109.5° |
| C22 | C21 | H37 | 109.5° | 109.5° |
| C21 | C22 | C23 | 110.7° | 109.5° |
| C21 | C22 | H38 | 109.2° | 109.5° |
| C21 | C22 | H39 | 109.2° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.4° |
| C23 | C22 | H38 | 109.1° | 109.5° |
| C23 | C22 | H39 | 109.1° | 109.5° |
| C22 | C23 | H40 | 109.5° | 109.5° |
| C22 | C23 | H41 | 109.5° | 109.5° |
| C22 | C23 | H42 | 109.4° | 109.5° |
| H38 | C22 | H39 | 109.5° | 109.4° |
| H40 | C23 | H41 | 109.4° | 109.5° |
| H40 | C23 | H42 | 109.5° | 109.4° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| C24 | N4 | H43 | 118.0° | 120.0° |
| N4 | C24 | C25 | 108.1° | 109.5° |
| N4 | C24 | C26 | 110.3° | 109.5° |
| N4 | C24 | H44 | 109.7° | 109.5° |
| C24 | N4 | C19 | 124.0° | 120.0° |
| H43 | N4 | C19 | 118.0° | 120.1° |
| C25 | C24 | C26 | 111.2° | 109.5° |
| C25 | C24 | H44 | 108.7° | 109.4° |
| C24 | C25 | O6 | 120.2° | 120.0° |
| C24 | C25 | N5 | 116.5° | 120.0° |
| C26 | C24 | H44 | 108.7° | 109.5° |
| C24 | C26 | C27 | 111.2° | 109.5° |
| C24 | C26 | H45 | 109.0° | 109.5° |
| C24 | C26 | H46 | 109.0° | 109.5° |
| O6 | C25 | N5 | 123.3° | 120.0° |
| C27 | C26 | H45 | 109.0° | 109.4° |
| C27 | C26 | H46 | 109.0° | 109.5° |
| C26 | C27 | C28 | 112.3° | 109.5° |
| C26 | C27 | H47 | 108.7° | 109.4° |
| C26 | C27 | H48 | 108.8° | 109.5° |
| H45 | C26 | H46 | 109.5° | 109.4° |
| C28 | C27 | H47 | 108.8° | 109.4° |
| C28 | C27 | H48 | 108.8° | 109.5° |
| C27 | C28 | C29 | 112.7° | 109.5° |
| C27 | C28 | H49 | 108.6° | 109.5° |
| C27 | C28 | H50 | 108.6° | 109.5° |
| H47 | C27 | H48 | 109.5° | 109.5° |
| C29 | C28 | H49 | 108.7° | 109.5° |
| C29 | C28 | H50 | 108.7° | 109.5° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.4° |
| C28 | C29 | H53 | 109.5° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.5° |
| H51 | C29 | H53 | 109.4° | 109.5° |
| H52 | C29 | H53 | 109.5° | 109.5° |
| C30 | N5 | H54 | 117.6° | 120.0° |
| N5 | C30 | C31 | 112.1° | 109.5° |
| N5 | C30 | C32 | 111.9° | 109.5° |
| N5 | C30 | H55 | 107.0° | 109.5° |
| C30 | N5 | C25 | 124.9° | 120.0° |
| H54 | N5 | C25 | 117.5° | 120.0° |
| C31 | C30 | C32 | 113.1° | 109.5° |
| C31 | C30 | H55 | 106.1° | 109.5° |
| C30 | C31 | O7 | 120.0° | 120.0° |
| C30 | C31 | N6 | 117.6° | 120.0° |
| C32 | C30 | H55 | 106.0° | 109.5° |
| C30 | C32 | C33 | 111.7° | 109.5° |
| C30 | C32 | H56 | 108.9° | 109.4° |
| C30 | C32 | H57 | 108.9° | 109.4° |
| O7 | C31 | N6 | 122.4° | 120.0° |
| C33 | C32 | H56 | 108.9° | 109.5° |
| C33 | C32 | H57 | 108.9° | 109.5° |
| C32 | C33 | C34 | 112.3° | 109.5° |
| C32 | C33 | H58 | 108.7° | 109.5° |
| C32 | C33 | H59 | 108.7° | 109.5° |
| H56 | C32 | H57 | 109.5° | 109.4° |
| C34 | C33 | H58 | 108.7° | 109.5° |
| C34 | C33 | H59 | 108.7° | 109.4° |
| C33 | C34 | C35 | 112.2° | 109.5° |
| C33 | C34 | H60 | 108.8° | 109.5° |
| C33 | C34 | H61 | 108.8° | 109.5° |
| H58 | C33 | H59 | 109.5° | 109.5° |
| C35 | C34 | H60 | 108.8° | 109.4° |
| C35 | C34 | H61 | 108.8° | 109.5° |
| C34 | C35 | H62 | 109.5° | 109.4° |
| C34 | C35 | H63 | 109.5° | 109.5° |
| C34 | C35 | H64 | 109.5° | 109.5° |
| H60 | C34 | H61 | 109.5° | 109.5° |
| H62 | C35 | H63 | 109.5° | 109.4° |
| H62 | C35 | H64 | 109.5° | 109.4° |
| H63 | C35 | H64 | 109.5° | 109.5° |
| C36 | N6 | H65 | 118.0° | 120.0° |
| N6 | C36 | C37 | 106.3° | 109.5° |
| N6 | C36 | C38 | 109.5° | 109.5° |
| N6 | C36 | H66 | 109.6° | 109.5° |
| C36 | N6 | C31 | 124.0° | 120.0° |
| H65 | N6 | C31 | 118.0° | 120.0° |
| C37 | C36 | C38 | 114.0° | 109.4° |
| C37 | C36 | H66 | 108.7° | 109.5° |
| C36 | C37 | O8 | 121.7° | 120.0° |
| C36 | C37 | N7 | 115.0° | 120.1° |
| C38 | C36 | H66 | 108.6° | 109.4° |
| C36 | C38 | C39 | 115.3° | 109.5° |
| C36 | C38 | H67 | 108.0° | 109.4° |
| C36 | C38 | H68 | 108.0° | 109.5° |
| O8 | C37 | N7 | 123.2° | 119.9° |
| C39 | C38 | H67 | 108.0° | 109.4° |
| C39 | C38 | H68 | 108.0° | 109.5° |
| C38 | C39 | C40 | 114.7° | 109.5° |
| C38 | C39 | H69 | 108.2° | 109.4° |
| C38 | C39 | H70 | 108.1° | 109.5° |
| H67 | C38 | H68 | 109.5° | 109.5° |
| C40 | C39 | H69 | 108.2° | 109.4° |
| C40 | C39 | H70 | 108.2° | 109.5° |
| C39 | C40 | C41 | 112.5° | 109.5° |
| C39 | C40 | H71 | 108.7° | 109.5° |
| C39 | C40 | H72 | 108.7° | 109.5° |
| H69 | C39 | H70 | 109.5° | 109.5° |
| C41 | C40 | H71 | 108.7° | 109.4° |
| C41 | C40 | H72 | 108.7° | 109.5° |
| C40 | C41 | H73 | 109.5° | 109.5° |
| C40 | C41 | H74 | 109.4° | 109.5° |
| C40 | C41 | H75 | 109.5° | 109.5° |
| H71 | C40 | H72 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.4° | 109.4° |
| H73 | C41 | H75 | 109.5° | 109.4° |
| H74 | C41 | H75 | 109.5° | 109.5° |
| C42 | N7 | H76 | 117.4° | 120.0° |
| N7 | C42 | C43 | 105.6° | 109.5° |
| N7 | C42 | C44 | 112.4° | 109.5° |
| N7 | C42 | H77 | 109.3° | 109.4° |
| C42 | N7 | C37 | 125.1° | 120.1° |
| H76 | N7 | C37 | 117.4° | 119.9° |
| C43 | C42 | C44 | 112.8° | 109.5° |
| C43 | C42 | H77 | 108.4° | 109.4° |
| C42 | C43 | O9 | 120.5° | 120.0° |
| C42 | C43 | N8 | 117.0° | 120.0° |
| C44 | C42 | H77 | 108.2° | 109.5° |
| C42 | C44 | C45 | 112.5° | 109.5° |
| C42 | C44 | H78 | 108.7° | 109.5° |
| C42 | C44 | H79 | 108.7° | 109.5° |
| O9 | C43 | N8 | 122.4° | 120.0° |
| C45 | C44 | H78 | 108.7° | 109.5° |
| C45 | C44 | H79 | 108.7° | 109.4° |
| C44 | C45 | C46 | 110.2° | 109.5° |
| C44 | C45 | H80 | 109.3° | 109.5° |
| C44 | C45 | H81 | 109.3° | 109.4° |
| H78 | C44 | H79 | 109.5° | 109.4° |
| C46 | C45 | H80 | 109.3° | 109.4° |
| C46 | C45 | H81 | 109.3° | 109.5° |
| C45 | C46 | C47 | 110.4° | 109.5° |
| C45 | C46 | H82 | 109.3° | 109.5° |
| C45 | C46 | H83 | 109.3° | 109.5° |
| H80 | C45 | H81 | 109.5° | 109.5° |
| C47 | C46 | H82 | 109.2° | 109.4° |
| C47 | C46 | H83 | 109.3° | 109.4° |
| C46 | C47 | H84 | 109.5° | 109.5° |
| C46 | C47 | H85 | 109.4° | 109.4° |
| C46 | C47 | H86 | 109.5° | 109.5° |
| H82 | C46 | H83 | 109.4° | 109.5° |
| H84 | C47 | H85 | 109.5° | 109.4° |
| H84 | C47 | H86 | 109.4° | 109.5° |
| H85 | C47 | H86 | 109.5° | 109.5° |
| C48 | N8 | H87 | 118.9° | 120.0° |
| N8 | C48 | C49 | 107.3° | 109.4° |
| N8 | C48 | C50 | 109.7° | 109.4° |
| N8 | C48 | H88 | 110.2° | 109.4° |
| C48 | N8 | C43 | 122.2° | 120.0° |
| H87 | N8 | C43 | 118.9° | 120.0° |
| C49 | C48 | C50 | 111.4° | 109.5° |
| C49 | C48 | H88 | 109.1° | 109.5° |
| C48 | C49 | O10 | 118.5° | 120.1° |
| C48 | C49 | N9 | 120.0° | 120.0° |
| C50 | C48 | H88 | 109.1° | 109.5° |
| C48 | C50 | C51 | 112.0° | 109.5° |
| C48 | C50 | H89 | 108.8° | 109.5° |
| C48 | C50 | H90 | 108.9° | 109.4° |
| O10 | C49 | N9 | 121.5° | 119.9° |
| C51 | C50 | H89 | 108.9° | 109.5° |
| C51 | C50 | H90 | 108.8° | 109.5° |
| C50 | C51 | C52 | 111.9° | 109.5° |
| C50 | C51 | H91 | 108.9° | 109.5° |
| C50 | C51 | H92 | 108.9° | 109.5° |
| H89 | C50 | H90 | 109.5° | 109.5° |
| C52 | C51 | H91 | 108.9° | 109.5° |
| C52 | C51 | H92 | 108.9° | 109.4° |
| C51 | C52 | C53 | 112.6° | 109.5° |
| C51 | C52 | H93 | 108.7° | 109.5° |
| C51 | C52 | H94 | 108.7° | 109.5° |
| H91 | C51 | H92 | 109.4° | 109.4° |
| C53 | C52 | H93 | 108.7° | 109.5° |
| C53 | C52 | H94 | 108.7° | 109.4° |
| C52 | C53 | H95 | 109.5° | 109.5° |
| C52 | C53 | H96 | 109.5° | 109.5° |
| C52 | C53 | H97 | 109.5° | 109.5° |
| H93 | C52 | H94 | 109.5° | 109.4° |
| H95 | C53 | H96 | 109.5° | 109.5° |
| H95 | C53 | H97 | 109.4° | 109.4° |
| H96 | C53 | H97 | 109.4° | 109.5° |
| O11 | C54 | C56 | 119.6° | 120.0° |
| O11 | C54 | N10 | 121.4° | 120.0° |
| C54 | C56 | N9 | 111.2° | 109.5° |
| C54 | C56 | C57 | 114.6° | 109.5° |
| C54 | C56 | H98 | 106.1° | 109.5° |
| C56 | C54 | N10 | 118.9° | 120.0° |
| C56 | N9 | C55 | 117.2° | 120.0° |
| N9 | C56 | C57 | 111.4° | 109.5° |
| N9 | C56 | H98 | 106.9° | 109.5° |
| C56 | N9 | C49 | 119.6° | 120.0° |
| N9 | C55 | H101 | 109.5° | 109.5° |
| N9 | C55 | H103 | 109.4° | 109.4° |
| N9 | C55 | H102 | 109.5° | 109.5° |
| C55 | N9 | C49 | 123.0° | 120.0° |
| H101 | C55 | H103 | 109.5° | 109.5° |
| H101 | C55 | H102 | 109.5° | 109.5° |
| H103 | C55 | H102 | 109.5° | 109.5° |
| C57 | C56 | H98 | 106.1° | 109.4° |
| C56 | C57 | H99 | 109.0° | 109.5° |
| C56 | C57 | H100 | 109.0° | 109.4° |
| C56 | C57 | C60 | 111.5° | 109.5° |
| H99 | C57 | H100 | 109.5° | 109.5° |
| H99 | C57 | C60 | 109.0° | 109.5° |
| H100 | C57 | C60 | 109.0° | 109.4° |
| C57 | C60 | C58 | 112.3° | 109.4° |
| C57 | C60 | H110 | 108.7° | 109.4° |
| C57 | C60 | H109 | 108.7° | 109.5° |
| C59 | C58 | H105 | 108.7° | 109.5° |
| C59 | C58 | H104 | 108.7° | 109.4° |
| C59 | C58 | C60 | 112.4° | 109.4° |
| C58 | C59 | H107 | 109.5° | 109.4° |
| C58 | C59 | H108 | 109.5° | 109.4° |
| C58 | C59 | H106 | 109.5° | 109.5° |
| H105 | C58 | H104 | 109.5° | 109.5° |
| H105 | C58 | C60 | 108.7° | 109.5° |
| H104 | C58 | C60 | 108.7° | 109.5° |
| C58 | C60 | H110 | 108.8° | 109.5° |
| C58 | C60 | H109 | 108.8° | 109.5° |
| H107 | C59 | H108 | 109.5° | 109.5° |
| H107 | C59 | H106 | 109.5° | 109.5° |
| H108 | C59 | H106 | 109.5° | 109.5° |
| H110 | C60 | H109 | 109.5° | 109.5° |
| C61 | N10 | H111 | 119.5° | 120.0° |
| N10 | C61 | C62 | 109.4° | 109.5° |
| N10 | C61 | C63 | 112.1° | 109.5° |
| N10 | C61 | H112 | 108.0° | 109.5° |
| C61 | N10 | C54 | 121.0° | 120.0° |
| H111 | N10 | C54 | 119.5° | 120.0° |
| C62 | C61 | C63 | 113.0° | 109.5° |
| C62 | C61 | H112 | 107.1° | 109.5° |
| C61 | C62 | O12 | 120.8° | 120.0° |
| C61 | C62 | N11 | 116.1° | 120.0° |
| C63 | C61 | H112 | 107.1° | 109.5° |
| C61 | C63 | C64 | 111.0° | 109.5° |
| C61 | C63 | H113 | 109.1° | 109.4° |
| C61 | C63 | H114 | 109.1° | 109.4° |
| O12 | C62 | N11 | 123.0° | 120.0° |
| C64 | C63 | H113 | 109.1° | 109.5° |
| C64 | C63 | H114 | 109.1° | 109.5° |
| C63 | C64 | C65 | 112.6° | 109.4° |
| C63 | C64 | H115 | 108.7° | 109.5° |
| C63 | C64 | H116 | 108.7° | 109.5° |
| H113 | C63 | H114 | 109.5° | 109.5° |
| C65 | C64 | H115 | 108.7° | 109.5° |
| C65 | C64 | H116 | 108.7° | 109.5° |
| C64 | C65 | C66 | 112.8° | 109.4° |
| C64 | C65 | H117 | 108.6° | 109.5° |
| C64 | C65 | H118 | 108.6° | 109.5° |
| H115 | C64 | H116 | 109.5° | 109.4° |
| C66 | C65 | H117 | 108.6° | 109.4° |
| C66 | C65 | H118 | 108.6° | 109.5° |
| C65 | C66 | H119 | 109.5° | 109.5° |
| C65 | C66 | H120 | 109.5° | 109.5° |
| C65 | C66 | H121 | 109.5° | 109.4° |
| H117 | C65 | H118 | 109.5° | 109.5° |
| H119 | C66 | H120 | 109.5° | 109.5° |
| H119 | C66 | H121 | 109.4° | 109.4° |
| H120 | C66 | H121 | 109.5° | 109.5° |
| C67 | N11 | H122 | 117.9° | 120.0° |
| N11 | C67 | C68 | 106.7° | 109.5° |
| N11 | C67 | C69 | 110.0° | 109.5° |
| N11 | C67 | H123 | 109.8° | 109.5° |
| C67 | N11 | C62 | 124.3° | 120.0° |
| H122 | N11 | C62 | 117.9° | 120.0° |
| C68 | C67 | C69 | 112.9° | 109.5° |
| C68 | C67 | H123 | 108.7° | 109.5° |
| C67 | C68 | O13 | 120.7° | 120.0° |
| C67 | C68 | N12 | 116.8° | 120.0° |
| C69 | C67 | H123 | 108.7° | 109.4° |
| C67 | C69 | C70 | 110.7° | 109.5° |
| C67 | C69 | H124 | 109.2° | 109.4° |
| C67 | C69 | H125 | 109.2° | 109.4° |
| O13 | C68 | N12 | 122.4° | 120.0° |
| C70 | C69 | H124 | 109.2° | 109.5° |
| C70 | C69 | H125 | 109.2° | 109.5° |
| C69 | C70 | C71 | 112.3° | 109.5° |
| C69 | C70 | H126 | 108.8° | 109.5° |
| C69 | C70 | H127 | 108.7° | 109.4° |
| H124 | C69 | H125 | 109.5° | 109.5° |
| C71 | C70 | H126 | 108.8° | 109.5° |
| C71 | C70 | H127 | 108.8° | 109.4° |
| C70 | C71 | C72 | 112.4° | 109.5° |
| C70 | C71 | H128 | 108.7° | 109.5° |
| C70 | C71 | H129 | 108.7° | 109.4° |
| H126 | C70 | H127 | 109.4° | 109.5° |
| C72 | C71 | H128 | 108.8° | 109.5° |
| C72 | C71 | H129 | 108.8° | 109.5° |
| C71 | C72 | H130 | 109.5° | 109.5° |
| C71 | C72 | H131 | 109.5° | 109.5° |
| C71 | C72 | H132 | 109.5° | 109.5° |
| H128 | C71 | H129 | 109.5° | 109.5° |
| H130 | C72 | H131 | 109.5° | 109.4° |
| H130 | C72 | H132 | 109.5° | 109.4° |
| H131 | C72 | H132 | 109.5° | 109.4° |
| C73 | N12 | H133 | 118.5° | 119.9° |
| N12 | C73 | C74 | 108.8° | 109.5° |
| N12 | C73 | C75 | 109.5° | 109.5° |
| N12 | C73 | H134 | 109.8° | 109.5° |
| C73 | N12 | C68 | 123.0° | 120.0° |
| H133 | N12 | C68 | 118.5° | 120.1° |
| C74 | C73 | C75 | 111.1° | 109.5° |
| C74 | C73 | H134 | 108.9° | 109.5° |
| C73 | C74 | O14 | 119.9° | 120.0° |
| C73 | C74 | O15 | 115.3° | 120.0° |
| C75 | C73 | H134 | 108.8° | 109.5° |
| C73 | C75 | C76 | 114.4° | 109.5° |
| C73 | C75 | H135 | 108.2° | 109.4° |
| C73 | C75 | H136 | 108.2° | 109.4° |
| O14 | C74 | O15 | 124.8° | 119.9° |
| C74 | O15 | C79 | 111.2° | 117.0° |
| C76 | C75 | H135 | 108.2° | 109.5° |
| C76 | C75 | H136 | 108.2° | 109.5° |
| C75 | C76 | C77 | 112.4° | 109.5° |
| C75 | C76 | H137 | 108.7° | 109.5° |
| C75 | C76 | H138 | 108.7° | 109.5° |
| H135 | C75 | H136 | 109.5° | 109.4° |
| C77 | C76 | H137 | 108.7° | 109.5° |
| C77 | C76 | H138 | 108.7° | 109.4° |
| C76 | C77 | C78 | 110.3° | 109.5° |
| C76 | C77 | H139 | 109.3° | 109.5° |
| C76 | C77 | H140 | 109.3° | 109.5° |
| H137 | C76 | H138 | 109.5° | 109.4° |
| C78 | C77 | H139 | 109.3° | 109.4° |
| C78 | C77 | H140 | 109.3° | 109.4° |
| C77 | C78 | H141 | 109.5° | 109.4° |
| C77 | C78 | H142 | 109.5° | 109.5° |
| C77 | C78 | H143 | 109.5° | 109.5° |
| H139 | C77 | H140 | 109.5° | 109.4° |
| H141 | C78 | H142 | 109.4° | 109.5° |
| H141 | C78 | H143 | 109.4° | 109.5° |
| H142 | C78 | H143 | 109.5° | 109.5° |
| O15 | C79 | H144 | 90.0° | 109.5° |
| O15 | C79 | H145 | 90.0° | 109.5° |
| O15 | C79 | H146 | 90.0° | 109.5° |
| H144 | C79 | H145 | 90.0° | 109.4° |
| H144 | C79 | H146 | 90.0° | 109.4° |
| H145 | C79 | H146 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 90.0° | 179.7° |
| O1 | C1 | O2 | C2 | 90.0° | 0.0° |
| O1 | C1 | N1 | C6 | 90.0° | 0.0° |
| O1 | C1 | N1 | H10 | 90.0° | 180.0° |
| C1 | O2 | C2 | C3 | 90.0° | 60.0° |
| C1 | O2 | C2 | C4 | 90.0° | 180.0° |
| C1 | O2 | C2 | C5 | 90.0° | 60.0° |
| O2 | C1 | N1 | C6 | 90.0° | 179.7° |
| O2 | C1 | N1 | H10 | 90.0° | 0.3° |
| O2 | C2 | C3 | C4 | 90.0° | 120.0° |
| O2 | C2 | C3 | C5 | 90.0° | 120.0° |
| O2 | C2 | C4 | C5 | 90.0° | 120.0° |
| O2 | C2 | C3 | H1 | 90.0° | 60.0° |
| O2 | C2 | C3 | H2 | 90.0° | 180.0° |
| O2 | C2 | C3 | H3 | 90.0° | 59.9° |
| O2 | C2 | C4 | H4 | 90.0° | 60.0° |
| O2 | C2 | C4 | H5 | 90.0° | 180.0° |
| O2 | C2 | C4 | H6 | 90.0° | 60.0° |
| O2 | C2 | C5 | H7 | 90.0° | 60.0° |
| O2 | C2 | C5 | H8 | 90.0° | 179.9° |
| O2 | C2 | C5 | H9 | 90.0° | 60.0° |
| C2 | O2 | C1 | N1 | 90.0° | 179.7° |
| C3 | C2 | C4 | C5 | 90.0° | 120.0° |
| C2 | C3 | H1 | H2 | 90.0° | 120.0° |
| C2 | C3 | H1 | H3 | 90.0° | 120.0° |
| C2 | C3 | H2 | H3 | 90.0° | 120.1° |
| C3 | C2 | C4 | H4 | 90.0° | 180.0° |
| C3 | C2 | C4 | H5 | 90.0° | 60.0° |
| C3 | C2 | C4 | H6 | 90.0° | 60.0° |
| C3 | C2 | C5 | H7 | 90.0° | 59.9° |
| C3 | C2 | C5 | H8 | 90.0° | 60.0° |
| C3 | C2 | C5 | H9 | 90.0° | 179.9° |
| C4 | C2 | C3 | H1 | 90.0° | 60.0° |
| C4 | C2 | C3 | H2 | 90.0° | 60.0° |
| C4 | C2 | C3 | H3 | 90.0° | 180.0° |
| C2 | C4 | H4 | H5 | 90.0° | 120.0° |
| C2 | C4 | H4 | H6 | 90.0° | 120.0° |
| C2 | C4 | H5 | H6 | 90.0° | 120.0° |
| C4 | C2 | C5 | H7 | 90.0° | 180.0° |
| C4 | C2 | C5 | H8 | 90.0° | 60.0° |
| C4 | C2 | C5 | H9 | 90.0° | 60.0° |
| C5 | C2 | C3 | H1 | 90.0° | 180.0° |
| C5 | C2 | C3 | H2 | 90.0° | 60.0° |
| C5 | C2 | C3 | H3 | 90.0° | 60.0° |
| C5 | C2 | C4 | H4 | 90.0° | 60.0° |
| C5 | C2 | C4 | H5 | 90.0° | 60.0° |
| C5 | C2 | C4 | H6 | 90.0° | 180.0° |
| C2 | C5 | H7 | H8 | 90.0° | 120.0° |
| C2 | C5 | H7 | H9 | 90.0° | 120.0° |
| C2 | C5 | H8 | H9 | 90.0° | 120.0° |
| H1 | C3 | H2 | H3 | 90.0° | 119.9° |
| H4 | C4 | H5 | H6 | 90.0° | 120.1° |
| H7 | C5 | H8 | H9 | 90.0° | 120.0° |
| C6 | N1 | H10 | C1 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 123.0° | 120.0° |
| N1 | C6 | C7 | H11 | 119.5° | 120.0° |
| N1 | C6 | C8 | H11 | 117.5° | 120.1° |
| N1 | C6 | C7 | O3 | 177.9° | 0.0° |
| N1 | C6 | C8 | C9 | 63.2° | 65.0° |
| N1 | C6 | C8 | H12 | 176.4° | 175.0° |
| N1 | C6 | C8 | H13 | 57.2° | 55.0° |
| N1 | C6 | C7 | N2 | 2.3° | 180.0° |
| H10 | N1 | C6 | C7 | 25.3° | 25.0° |
| H10 | N1 | C6 | C8 | 98.5° | 95.0° |
| H10 | N1 | C6 | H11 | 144.3° | 144.9° |
| C7 | C6 | C8 | H11 | 117.5° | 119.9° |
| C6 | C7 | O3 | N2 | 179.7° | 180.0° |
| C7 | C6 | C8 | C9 | 171.8° | 175.0° |
| C7 | C6 | C8 | H12 | 51.4° | 55.0° |
| C7 | C6 | C8 | H13 | 67.8° | 65.0° |
| C6 | C7 | N2 | C12 | 179.9° | 180.0° |
| C6 | C7 | N2 | H21 | 0.0° | 0.0° |
| C7 | C6 | N1 | C1 | 154.7° | 155.0° |
| C8 | C6 | C7 | O3 | 54.9° | 120.0° |
| C6 | C8 | C9 | H12 | 120.4° | 120.0° |
| C6 | C8 | C9 | H13 | 120.4° | 120.0° |
| C6 | C8 | H12 | H13 | 118.7° | 120.0° |
| C6 | C8 | C9 | C10 | 177.1° | NaN° |
| C6 | C8 | C9 | H14 | 56.7° | 60.0° |
| C6 | C8 | C9 | H15 | 62.5° | 60.0° |
| C8 | C6 | N1 | C1 | 81.5° | 85.0° |
| C8 | C6 | C7 | N2 | 125.3° | 60.0° |
| H11 | C6 | C7 | O3 | 62.6° | 120.0° |
| H11 | C6 | C8 | C9 | 54.3° | 55.0° |
| H11 | C6 | C8 | H12 | 66.1° | 65.0° |
| H11 | C6 | C8 | H13 | 174.7° | 175.1° |
| H11 | C6 | N1 | C1 | 35.7° | 35.0° |
| H11 | C6 | C7 | N2 | 117.1° | 60.0° |
| O3 | C7 | N2 | C12 | 0.3° | 0.0° |
| O3 | C7 | N2 | H21 | 179.7° | 180.0° |
| C9 | C8 | H12 | H13 | 118.7° | 120.0° |
| C8 | C9 | C10 | H14 | 120.4° | 119.9° |
| C8 | C9 | C10 | H15 | 120.4° | 120.0° |
| C8 | C9 | H14 | H15 | 118.8° | 119.9° |
| C8 | C9 | C10 | C11 | 68.2° | 180.0° |
| C8 | C9 | C10 | H16 | 52.3° | 60.0° |
| C8 | C9 | C10 | H17 | 171.3° | 60.0° |
| H12 | C8 | C9 | C10 | 62.5° | 60.0° |
| H12 | C8 | C9 | H14 | 177.1° | 180.0° |
| H12 | C8 | C9 | H15 | 57.9° | 60.1° |
| H13 | C8 | C9 | C10 | 56.7° | 60.0° |
| H13 | C8 | C9 | H14 | 63.7° | 60.0° |
| H13 | C8 | C9 | H15 | 177.1° | 180.0° |
| C10 | C9 | H14 | H15 | 118.9° | 120.1° |
| C9 | C10 | C11 | H16 | 120.5° | 120.0° |
| C9 | C10 | C11 | H17 | 120.5° | 120.0° |
| C9 | C10 | H16 | H17 | 118.5° | 120.0° |
| C9 | C10 | C11 | H18 | 180.0° | 60.0° |
| C9 | C10 | C11 | H19 | 60.0° | 180.0° |
| C9 | C10 | C11 | H20 | 60.0° | 59.9° |
| H14 | C9 | C10 | C11 | 171.4° | 60.0° |
| H14 | C9 | C10 | H16 | 68.1° | 179.9° |
| H14 | C9 | C10 | H17 | 50.9° | 60.0° |
| H15 | C9 | C10 | C11 | 52.2° | 60.1° |
| H15 | C9 | C10 | H16 | 172.6° | 60.0° |
| H15 | C9 | C10 | H17 | 68.4° | 180.0° |
| C11 | C10 | H16 | H17 | 118.5° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H20 | 120.0° | 120.0° |
| C10 | C11 | H19 | H20 | 120.0° | 120.0° |
| H16 | C10 | C11 | H18 | 59.5° | 60.0° |
| H16 | C10 | C11 | H19 | 179.5° | 60.0° |
| H16 | C10 | C11 | H20 | 60.5° | 180.0° |
| H17 | C10 | C11 | H18 | 59.5° | 180.0° |
| H17 | C10 | C11 | H19 | 60.5° | 60.0° |
| H17 | C10 | C11 | H20 | 179.5° | 60.1° |
| H18 | C11 | H19 | H20 | 120.0° | 120.0° |
| C12 | N2 | H21 | C7 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 120.5° | 120.0° |
| N2 | C12 | C13 | H22 | 119.2° | 120.0° |
| N2 | C12 | C14 | H22 | 121.7° | 120.0° |
| N2 | C12 | C13 | O4 | 59.1° | 0.0° |
| N2 | C12 | C14 | C15 | 64.0° | 65.0° |
| N2 | C12 | C14 | H23 | 56.4° | 55.0° |
| N2 | C12 | C14 | H24 | 175.5° | 175.0° |
| N2 | C12 | C13 | N3 | 119.1° | 180.0° |
| H21 | N2 | C12 | C13 | 35.1° | 25.0° |
| H21 | N2 | C12 | C14 | 85.3° | 95.0° |
| H21 | N2 | C12 | H22 | 153.6° | 145.0° |
| C13 | C12 | C14 | H22 | 120.4° | 120.0° |
| C12 | C13 | O4 | N3 | 178.1° | 180.0° |
| C13 | C12 | C14 | C15 | 178.1° | 175.0° |
| C13 | C12 | C14 | H23 | 61.4° | 65.0° |
| C13 | C12 | C14 | H24 | 57.7° | 55.0° |
| C12 | C13 | N3 | C18 | 171.4° | 180.0° |
| C12 | C13 | N3 | H32 | 8.6° | 0.1° |
| C13 | C12 | N2 | C7 | 144.9° | 155.0° |
| C14 | C12 | C13 | O4 | 61.4° | 120.0° |
| C12 | C14 | C15 | H23 | 120.4° | 119.9° |
| C12 | C14 | C15 | H24 | 120.5° | 120.0° |
| C12 | C14 | H23 | H24 | 118.6° | 120.0° |
| C12 | C14 | C15 | C16 | 173.8° | 180.0° |
| C12 | C14 | C15 | H25 | 53.7° | 60.0° |
| C12 | C14 | C15 | H26 | 66.1° | 60.0° |
| C14 | C12 | N2 | C7 | 94.8° | 85.0° |
| C14 | C12 | C13 | N3 | 120.4° | 60.0° |
| H22 | C12 | C13 | O4 | 178.3° | 120.0° |
| H22 | C12 | C14 | C15 | 57.7° | 55.1° |
| H22 | C12 | C14 | H23 | 178.2° | 175.0° |
| H22 | C12 | C14 | H24 | 62.7° | 65.0° |
| H22 | C12 | N2 | C7 | 26.3° | 35.0° |
| H22 | C12 | C13 | N3 | 0.1° | 60.0° |
| O4 | C13 | N3 | C18 | 6.7° | 0.0° |
| O4 | C13 | N3 | H32 | 173.3° | 179.9° |
| C15 | C14 | H23 | H24 | 118.6° | 120.1° |
| C14 | C15 | C16 | H25 | 120.1° | 120.0° |
| C14 | C15 | C16 | H26 | 120.1° | 120.0° |
| C14 | C15 | H25 | H26 | 119.6° | 120.0° |
| C14 | C15 | C16 | C17 | 179.5° | 180.0° |
| C14 | C15 | C16 | H27 | 59.3° | 60.1° |
| C14 | C15 | C16 | H28 | 60.4° | 60.0° |
| H23 | C14 | C15 | C16 | 65.8° | 60.1° |
| H23 | C14 | C15 | H25 | 174.1° | 179.9° |
| H23 | C14 | C15 | H26 | 54.3° | 59.9° |
| H24 | C14 | C15 | C16 | 53.3° | 60.0° |
| H24 | C14 | C15 | H25 | 66.8° | 60.0° |
| H24 | C14 | C15 | H26 | 173.4° | 180.0° |
| C16 | C15 | H25 | H26 | 119.6° | 120.0° |
| C15 | C16 | C17 | H27 | 120.2° | 119.9° |
| C15 | C16 | C17 | H28 | 120.2° | 120.0° |
| C15 | C16 | H27 | H28 | 119.6° | 120.0° |
| C15 | C16 | C17 | H29 | 180.0° | 60.1° |
| C15 | C16 | C17 | H30 | 60.0° | 60.0° |
| C15 | C16 | C17 | H31 | 60.0° | 180.0° |
| H25 | C15 | C16 | C17 | 60.4° | 60.0° |
| H25 | C15 | C16 | H27 | 179.4° | 179.9° |
| H25 | C15 | C16 | H28 | 59.7° | 60.0° |
| H26 | C15 | C16 | C17 | 59.3° | 60.0° |
| H26 | C15 | C16 | H27 | 60.8° | 60.0° |
| H26 | C15 | C16 | H28 | 179.5° | 180.0° |
| C17 | C16 | H27 | H28 | 119.5° | 120.1° |
| C16 | C17 | H29 | H30 | 120.0° | 120.1° |
| C16 | C17 | H29 | H31 | 120.0° | 120.0° |
| C16 | C17 | H30 | H31 | 120.0° | 120.0° |
| H27 | C16 | C17 | H29 | 59.8° | 180.0° |
| H27 | C16 | C17 | H30 | 179.8° | 59.9° |
| H27 | C16 | C17 | H31 | 60.2° | 60.1° |
| H28 | C16 | C17 | H29 | 59.8° | 59.9° |
| H28 | C16 | C17 | H30 | 60.1° | 180.0° |
| H28 | C16 | C17 | H31 | 179.9° | 60.0° |
| H29 | C17 | H30 | H31 | 120.0° | 119.9° |
| C18 | N3 | H32 | C13 | 180.0° | 179.9° |
| N3 | C18 | C19 | C20 | 122.6° | 120.0° |
| N3 | C18 | C19 | H33 | 117.6° | 120.0° |
| N3 | C18 | C20 | H33 | 119.9° | 120.0° |
| N3 | C18 | C19 | O5 | 97.3° | 0.0° |
| N3 | C18 | C20 | C21 | 59.5° | 65.0° |
| N3 | C18 | C20 | H34 | 179.7° | 175.0° |
| N3 | C18 | C20 | H35 | 60.8° | 54.9° |
| N3 | C18 | C19 | N4 | 81.0° | 180.0° |
| H32 | N3 | C18 | C19 | 108.1° | 24.9° |
| H32 | N3 | C18 | C20 | 15.6° | 95.1° |
| H32 | N3 | C18 | H33 | 135.0° | 145.0° |
| C19 | C18 | C20 | H33 | 119.8° | 120.1° |
| C18 | C19 | O5 | N4 | 178.2° | 180.0° |
| C19 | C18 | C20 | C21 | 179.7° | 175.0° |
| C19 | C18 | C20 | H34 | 60.1° | 55.0° |
| C19 | C18 | C20 | H35 | 59.5° | 65.0° |
| C18 | C19 | N4 | C24 | 178.0° | 180.0° |
| C18 | C19 | N4 | H43 | 2.0° | 0.0° |
| C19 | C18 | N3 | C13 | 72.0° | 155.0° |
| C20 | C18 | C19 | O5 | 25.3° | 120.0° |
| C18 | C20 | C21 | H34 | 120.2° | 120.0° |
| C18 | C20 | C21 | H35 | 120.2° | 120.0° |
| C18 | C20 | H34 | H35 | 119.4° | 120.0° |
| C18 | C20 | C21 | C22 | 165.9° | 180.0° |
| C18 | C20 | C21 | H36 | 74.2° | 60.0° |
| C18 | C20 | C21 | H37 | 45.9° | 59.9° |
| C20 | C18 | N3 | C13 | 164.4° | 85.0° |
| C20 | C18 | C19 | N4 | 156.4° | 60.0° |
| H33 | C18 | C19 | O5 | 145.1° | 120.0° |
| H33 | C18 | C20 | C21 | 60.5° | 54.9° |
| H33 | C18 | C20 | H34 | 59.7° | 65.1° |
| H33 | C18 | C20 | H35 | 179.3° | 174.9° |
| H33 | C18 | N3 | C13 | 45.0° | 34.9° |
| H33 | C18 | C19 | N4 | 36.6° | 60.0° |
| O5 | C19 | N4 | C24 | 0.3° | 0.0° |
| O5 | C19 | N4 | H43 | 179.7° | 180.0° |
| C21 | C20 | H34 | H35 | 119.4° | 120.0° |
| C20 | C21 | C22 | H36 | 120.0° | 120.0° |
| C20 | C21 | C22 | H37 | 120.0° | 120.0° |
| C20 | C21 | H36 | H37 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 179.3° | 180.0° |
| C20 | C21 | C22 | H38 | 60.5° | 60.0° |
| C20 | C21 | C22 | H39 | 59.2° | 60.0° |
| H34 | C20 | C21 | C22 | 45.6° | 60.0° |
| H34 | C20 | C21 | H36 | 165.6° | 180.0° |
| H34 | C20 | C21 | H37 | 74.3° | 60.0° |
| H35 | C20 | C21 | C22 | 73.9° | 60.0° |
| H35 | C20 | C21 | H36 | 46.1° | 60.0° |
| H35 | C20 | C21 | H37 | 166.1° | 179.9° |
| C22 | C21 | H36 | H37 | 120.0° | 120.0° |
| C21 | C22 | C23 | H38 | 120.2° | 120.0° |
| C21 | C22 | C23 | H39 | 120.2° | 120.0° |
| C21 | C22 | H38 | H39 | 119.4° | 120.0° |
| C21 | C22 | C23 | H40 | 180.0° | 60.0° |
| C21 | C22 | C23 | H41 | 60.0° | 60.0° |
| C21 | C22 | C23 | H42 | 60.0° | 180.0° |
| H36 | C21 | C22 | C23 | 59.3° | 60.0° |
| H36 | C21 | C22 | H38 | 179.5° | 180.0° |
| H36 | C21 | C22 | H39 | 60.8° | 60.0° |
| H37 | C21 | C22 | C23 | 60.7° | 60.0° |
| H37 | C21 | C22 | H38 | 59.5° | 60.1° |
| H37 | C21 | C22 | H39 | 179.1° | 179.9° |
| C23 | C22 | H38 | H39 | 119.4° | 120.0° |
| C22 | C23 | H40 | H41 | 120.0° | 120.0° |
| C22 | C23 | H40 | H42 | 120.0° | 120.0° |
| C22 | C23 | H41 | H42 | 120.0° | 120.0° |
| H38 | C22 | C23 | H40 | 59.8° | 179.9° |
| H38 | C22 | C23 | H41 | 179.8° | 60.0° |
| H38 | C22 | C23 | H42 | 60.2° | 60.0° |
| H39 | C22 | C23 | H40 | 59.8° | 60.0° |
| H39 | C22 | C23 | H41 | 60.2° | 180.0° |
| H39 | C22 | C23 | H42 | 179.8° | 60.0° |
| H40 | C23 | H41 | H42 | 120.0° | 120.0° |
| C24 | N4 | H43 | C19 | 180.0° | 180.0° |
| N4 | C24 | C25 | C26 | 121.3° | 120.0° |
| N4 | C24 | C25 | H44 | 119.1° | 120.0° |
| N4 | C24 | C26 | H44 | 120.3° | 120.0° |
| N4 | C24 | C25 | O6 | 59.6° | 0.0° |
| N4 | C24 | C26 | C27 | 65.1° | 65.0° |
| N4 | C24 | C26 | H45 | 55.2° | 55.0° |
| N4 | C24 | C26 | H46 | 174.7° | 175.0° |
| N4 | C24 | C25 | N5 | 119.4° | 180.0° |
| H43 | N4 | C24 | C25 | 115.6° | 25.0° |
| H43 | N4 | C24 | C26 | 6.2° | 95.0° |
| H43 | N4 | C24 | H44 | 125.9° | 145.0° |
| C25 | C24 | C26 | H44 | 119.7° | 120.0° |
| C24 | C25 | O6 | N5 | 179.0° | 180.0° |
| C25 | C24 | C26 | C27 | 175.0° | 175.0° |
| C25 | C24 | C26 | H45 | 64.8° | 65.0° |
| C25 | C24 | C26 | H46 | 54.7° | 55.0° |
| C24 | C25 | N5 | C30 | 179.8° | 180.0° |
| C24 | C25 | N5 | H54 | 0.2° | 0.0° |
| C25 | C24 | N4 | C19 | 64.3° | 155.0° |
| C26 | C24 | C25 | O6 | 61.7° | 120.0° |
| C24 | C26 | C27 | H45 | 120.3° | 120.1° |
| C24 | C26 | C27 | H46 | 120.3° | 120.0° |
| C24 | C26 | H45 | H46 | 119.2° | 120.0° |
| C24 | C26 | C27 | C28 | 179.0° | 180.0° |
| C24 | C26 | C27 | H47 | 60.6° | 60.0° |
| C24 | C26 | C27 | H48 | 58.6° | 60.0° |
| C26 | C24 | N4 | C19 | 173.8° | 85.0° |
| C26 | C24 | C25 | N5 | 119.3° | 60.0° |
| H44 | C24 | C25 | O6 | 178.7° | 120.0° |
| H44 | C24 | C26 | C27 | 55.3° | 55.0° |
| H44 | C24 | C26 | H45 | 175.6° | 175.1° |
| H44 | C24 | C26 | H46 | 65.0° | 65.0° |
| H44 | C24 | N4 | C19 | 54.1° | 35.0° |
| H44 | C24 | C25 | N5 | 0.3° | 60.0° |
| O6 | C25 | N5 | C30 | 0.8° | 0.0° |
| O6 | C25 | N5 | H54 | 179.2° | 180.0° |
| C27 | C26 | H45 | H46 | 119.2° | 120.0° |
| C26 | C27 | C28 | H47 | 120.4° | 120.0° |
| C26 | C27 | C28 | H48 | 120.4° | 120.0° |
| C26 | C27 | H47 | H48 | 118.7° | 120.0° |
| C26 | C27 | C28 | C29 | 66.0° | 180.0° |
| C26 | C27 | C28 | H49 | 173.5° | 60.0° |
| C26 | C27 | C28 | H50 | 54.5° | 59.9° |
| H45 | C26 | C27 | C28 | 58.7° | 60.0° |
| H45 | C26 | C27 | H47 | 179.1° | 179.9° |
| H45 | C26 | C27 | H48 | 61.7° | 60.1° |
| H46 | C26 | C27 | C28 | 60.7° | 60.0° |
| H46 | C26 | C27 | H47 | 59.7° | 60.0° |
| H46 | C26 | C27 | H48 | 178.9° | 180.0° |
| C28 | C27 | H47 | H48 | 118.7° | 120.0° |
| C27 | C28 | C29 | H49 | 120.4° | 120.0° |
| C27 | C28 | C29 | H50 | 120.5° | 120.1° |
| C27 | C28 | H49 | H50 | 118.5° | 120.0° |
| C27 | C28 | C29 | H51 | 180.0° | 60.0° |
| C27 | C28 | C29 | H52 | 60.0° | 60.0° |
| C27 | C28 | C29 | H53 | 60.0° | 180.0° |
| H47 | C27 | C28 | C29 | 54.4° | 60.0° |
| H47 | C27 | C28 | H49 | 66.1° | 179.9° |
| H47 | C27 | C28 | H50 | 174.9° | 60.1° |
| H48 | C27 | C28 | C29 | 173.6° | 60.0° |
| H48 | C27 | C28 | H49 | 53.1° | 60.1° |
| H48 | C27 | C28 | H50 | 65.9° | 180.0° |
| C29 | C28 | H49 | H50 | 118.6° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H53 | 120.0° | 120.0° |
| C28 | C29 | H52 | H53 | 120.0° | 120.0° |
| H49 | C28 | C29 | H51 | 59.5° | 180.0° |
| H49 | C28 | C29 | H52 | 179.6° | 60.0° |
| H49 | C28 | C29 | H53 | 60.4° | 60.0° |
| H50 | C28 | C29 | H51 | 59.6° | 60.1° |
| H50 | C28 | C29 | H52 | 60.5° | 179.9° |
| H50 | C28 | C29 | H53 | 179.5° | 59.9° |
| H51 | C29 | H52 | H53 | 120.0° | 120.0° |
| C30 | N5 | H54 | C25 | 180.0° | 180.0° |
| N5 | C30 | C31 | C32 | 127.7° | 120.0° |
| N5 | C30 | C31 | H55 | 116.5° | 120.0° |
| N5 | C30 | C32 | H55 | 116.3° | 120.0° |
| N5 | C30 | C31 | O7 | 162.1° | 0.0° |
| N5 | C30 | C32 | C33 | 50.5° | 65.0° |
| N5 | C30 | C32 | H56 | 69.8° | 55.1° |
| N5 | C30 | C32 | H57 | 170.9° | 175.0° |
| N5 | C30 | C31 | N6 | 18.9° | 180.0° |
| H54 | N5 | C30 | C31 | 113.8° | 25.0° |
| H54 | N5 | C30 | C32 | 117.8° | 95.0° |
| H54 | N5 | C30 | H55 | 2.1° | 145.0° |
| C31 | C30 | C32 | H55 | 115.9° | 120.0° |
| C30 | C31 | O7 | N6 | 179.0° | 180.0° |
| C31 | C30 | C32 | C33 | 178.3° | 175.0° |
| C31 | C30 | C32 | H56 | 58.0° | 64.9° |
| C31 | C30 | C32 | H57 | 61.3° | 55.0° |
| C30 | C31 | N6 | C36 | 174.4° | 180.0° |
| C30 | C31 | N6 | H65 | 5.7° | 0.1° |
| C31 | C30 | N5 | C25 | 66.2° | 155.0° |
| C32 | C30 | C31 | O7 | 34.4° | 120.0° |
| C30 | C32 | C33 | H56 | 120.3° | 120.0° |
| C30 | C32 | C33 | H57 | 120.3° | 120.0° |
| C30 | C32 | H56 | H57 | 119.0° | 119.9° |
| C30 | C32 | C33 | C34 | 165.9° | 180.0° |
| C30 | C32 | C33 | H58 | 45.5° | 60.0° |
| C30 | C32 | C33 | H59 | 73.6° | 60.0° |
| C32 | C30 | N5 | C25 | 62.2° | 85.0° |
| C32 | C30 | C31 | N6 | 146.6° | 60.0° |
| H55 | C30 | C31 | O7 | 81.4° | 120.0° |
| H55 | C30 | C32 | C33 | 65.8° | 55.0° |
| H55 | C30 | C32 | H56 | 173.9° | 175.0° |
| H55 | C30 | C32 | H57 | 54.5° | 65.1° |
| H55 | C30 | N5 | C25 | 177.9° | 35.0° |
| H55 | C30 | C31 | N6 | 97.6° | 60.0° |
| O7 | C31 | N6 | C36 | 4.7° | 0.1° |
| O7 | C31 | N6 | H65 | 175.3° | 179.9° |
| C33 | C32 | H56 | H57 | 119.0° | 120.1° |
| C32 | C33 | C34 | H58 | 120.4° | 120.0° |
| C32 | C33 | C34 | H59 | 120.4° | 120.0° |
| C32 | C33 | H58 | H59 | 118.7° | 120.0° |
| C32 | C33 | C34 | C35 | 61.5° | 180.0° |
| C32 | C33 | C34 | H60 | 58.9° | 60.0° |
| C32 | C33 | C34 | H61 | 178.0° | 60.0° |
| H56 | C32 | C33 | C34 | 73.7° | 60.0° |
| H56 | C32 | C33 | H58 | 165.9° | 180.0° |
| H56 | C32 | C33 | H59 | 46.7° | 60.0° |
| H57 | C32 | C33 | C34 | 45.6° | 60.0° |
| H57 | C32 | C33 | H58 | 74.8° | 60.0° |
| H57 | C32 | C33 | H59 | 166.0° | 180.0° |
| C34 | C33 | H58 | H59 | 118.7° | 120.0° |
| C33 | C34 | C35 | H60 | 120.4° | 120.0° |
| C33 | C34 | C35 | H61 | 120.4° | 120.0° |
| C33 | C34 | H60 | H61 | 118.7° | 120.0° |
| C33 | C34 | C35 | H62 | 180.0° | 60.0° |
| C33 | C34 | C35 | H63 | 60.0° | 60.0° |
| C33 | C34 | C35 | H64 | 60.0° | 179.9° |
| H58 | C33 | C34 | C35 | 178.1° | 60.0° |
| H58 | C33 | C34 | H60 | 61.5° | NaN° |
| H58 | C33 | C34 | H61 | 57.6° | 60.0° |
| H59 | C33 | C34 | C35 | 58.9° | 60.0° |
| H59 | C33 | C34 | H60 | 179.3° | 60.0° |
| H59 | C33 | C34 | H61 | 61.5° | 180.0° |
| C35 | C34 | H60 | H61 | 118.8° | 120.0° |
| C34 | C35 | H62 | H63 | 120.0° | 120.0° |
| C34 | C35 | H62 | H64 | 120.0° | 120.0° |
| C34 | C35 | H63 | H64 | 120.0° | 120.1° |
| H60 | C34 | C35 | H62 | 59.6° | 180.0° |
| H60 | C34 | C35 | H63 | 179.6° | 60.1° |
| H60 | C34 | C35 | H64 | 60.4° | 60.0° |
| H61 | C34 | C35 | H62 | 59.6° | 60.0° |
| H61 | C34 | C35 | H63 | 60.4° | 180.0° |
| H61 | C34 | C35 | H64 | 179.6° | 59.9° |
| H62 | C35 | H63 | H64 | 120.0° | 120.0° |
| C36 | N6 | H65 | C31 | 180.0° | 179.9° |
| N6 | C36 | C37 | C38 | 120.7° | 120.0° |
| N6 | C36 | C37 | H66 | 118.0° | 120.1° |
| N6 | C36 | C38 | H66 | 119.7° | 120.0° |
| N6 | C36 | C37 | O8 | 124.8° | 0.0° |
| N6 | C36 | C38 | C39 | 173.0° | 65.0° |
| N6 | C36 | C38 | H67 | 52.1° | 55.0° |
| N6 | C36 | C38 | H68 | 66.1° | 175.0° |
| N6 | C36 | C37 | N7 | 53.1° | 180.0° |
| H65 | N6 | C36 | C37 | 30.7° | 24.9° |
| H65 | N6 | C36 | C38 | 92.9° | 95.1° |
| H65 | N6 | C36 | H66 | 148.1° | 145.0° |
| C37 | C36 | C38 | H66 | 121.4° | 119.9° |
| C36 | C37 | O8 | N7 | 177.7° | 180.0° |
| C37 | C36 | C38 | C39 | 68.1° | 175.0° |
| C37 | C36 | C38 | H67 | 171.1° | 65.1° |
| C37 | C36 | C38 | H68 | 52.8° | 54.9° |
| C36 | C37 | N7 | C42 | 170.4° | 180.0° |
| C36 | C37 | N7 | H76 | 9.6° | 0.0° |
| C37 | C36 | N6 | C31 | 149.3° | 155.0° |
| C38 | C36 | C37 | O8 | 4.0° | 120.0° |
| C36 | C38 | C39 | H67 | 120.8° | 119.9° |
| C36 | C38 | C39 | H68 | 120.8° | 120.1° |
| C36 | C38 | H67 | H68 | 117.3° | 120.0° |
| C36 | C38 | C39 | C40 | 55.5° | 180.0° |
| C36 | C38 | C39 | H69 | 176.2° | 60.1° |
| C36 | C38 | C39 | H70 | 65.3° | 59.9° |
| C38 | C36 | N6 | C31 | 87.1° | 85.0° |
| C38 | C36 | C37 | N7 | 173.8° | 60.0° |
| H66 | C36 | C37 | O8 | 117.3° | 120.0° |
| H66 | C36 | C38 | C39 | 53.3° | 55.1° |
| H66 | C36 | C38 | H67 | 67.5° | 175.0° |
| H66 | C36 | C38 | H68 | 174.2° | 65.0° |
| H66 | C36 | N6 | C31 | 31.9° | 34.9° |
| H66 | C36 | C37 | N7 | 64.9° | 59.9° |
| O8 | C37 | N7 | C42 | 7.4° | 0.0° |
| O8 | C37 | N7 | H76 | 172.6° | 180.0° |
| C39 | C38 | H67 | H68 | 117.4° | 120.0° |
| C38 | C39 | C40 | H69 | 120.8° | 119.9° |
| C38 | C39 | C40 | H70 | 120.7° | 120.1° |
| C38 | C39 | H69 | H70 | 117.6° | 120.0° |
| C38 | C39 | C40 | C41 | 55.6° | 180.0° |
| C38 | C39 | C40 | H71 | 176.1° | 60.1° |
| C38 | C39 | C40 | H72 | 64.8° | 59.9° |
| H67 | C38 | C39 | C40 | 65.4° | 60.1° |
| H67 | C38 | C39 | H69 | 55.4° | 180.0° |
| H67 | C38 | C39 | H70 | 173.9° | 60.0° |
| H68 | C38 | C39 | C40 | 176.3° | 59.9° |
| H68 | C38 | C39 | H69 | 62.9° | 60.0° |
| H68 | C38 | C39 | H70 | 55.6° | 180.0° |
| C40 | C39 | H69 | H70 | 117.6° | 120.1° |
| C39 | C40 | C41 | H71 | 120.5° | 120.0° |
| C39 | C40 | C41 | H72 | 120.4° | 120.1° |
| C39 | C40 | H71 | H72 | 118.6° | 120.1° |
| C39 | C40 | C41 | H73 | 180.0° | 60.0° |
| C39 | C40 | C41 | H74 | 60.0° | 59.9° |
| C39 | C40 | C41 | H75 | 60.0° | 180.0° |
| H69 | C39 | C40 | C41 | 65.1° | 60.1° |
| H69 | C39 | C40 | H71 | 55.3° | 180.0° |
| H69 | C39 | C40 | H72 | 174.4° | 60.0° |
| H70 | C39 | C40 | C41 | 176.4° | 60.0° |
| H70 | C39 | C40 | H71 | 63.2° | 60.0° |
| H70 | C39 | C40 | H72 | 55.9° | 180.0° |
| C41 | C40 | H71 | H72 | 118.6° | 119.9° |
| C40 | C41 | H73 | H74 | 120.0° | 120.0° |
| C40 | C41 | H73 | H75 | 120.0° | 120.1° |
| C40 | C41 | H74 | H75 | 120.0° | 120.1° |
| H71 | C40 | C41 | H73 | 59.6° | 180.0° |
| H71 | C40 | C41 | H74 | 179.5° | 60.1° |
| H71 | C40 | C41 | H75 | 60.4° | 60.0° |
| H72 | C40 | C41 | H73 | 59.5° | 60.0° |
| H72 | C40 | C41 | H74 | 60.4° | 180.0° |
| H72 | C40 | C41 | H75 | 179.5° | 59.9° |
| H73 | C41 | H74 | H75 | 120.0° | 119.9° |
| C42 | N7 | H76 | C37 | 180.0° | 180.0° |
| N7 | C42 | C43 | C44 | 123.2° | 120.1° |
| N7 | C42 | C43 | H77 | 117.0° | 119.9° |
| N7 | C42 | C44 | H77 | 120.8° | 120.0° |
| N7 | C42 | C43 | O9 | 93.2° | 0.1° |
| N7 | C42 | C44 | C45 | 51.9° | 65.0° |
| N7 | C42 | C44 | H78 | 172.3° | 175.0° |
| N7 | C42 | C44 | H79 | 68.6° | 55.0° |
| N7 | C42 | C43 | N8 | 85.1° | 180.0° |
| H76 | N7 | C42 | C43 | 44.6° | 25.1° |
| H76 | N7 | C42 | C44 | 78.9° | 95.0° |
| H76 | N7 | C42 | H77 | 161.0° | 145.0° |
| C43 | C42 | C44 | H77 | 119.9° | 120.0° |
| C42 | C43 | O9 | N8 | 178.3° | 179.9° |
| C43 | C42 | C44 | C45 | 171.2° | 175.0° |
| C43 | C42 | C44 | H78 | 68.4° | 55.0° |
| C43 | C42 | C44 | H79 | 50.8° | 65.0° |
| C42 | C43 | N8 | C48 | 179.3° | 180.0° |
| C42 | C43 | N8 | H87 | 0.6° | 0.1° |
| C43 | C42 | N7 | C37 | 135.5° | 155.0° |
| C44 | C42 | C43 | O9 | 29.9° | 120.0° |
| C42 | C44 | C45 | H78 | 120.4° | 120.0° |
| C42 | C44 | C45 | H79 | 120.4° | 120.0° |
| C42 | C44 | H78 | H79 | 118.6° | 120.0° |
| C42 | C44 | C45 | C46 | 176.2° | 180.0° |
| C42 | C44 | C45 | H80 | 63.7° | 60.0° |
| C42 | C44 | C45 | H81 | 56.1° | 60.0° |
| C44 | C42 | N7 | C37 | 101.1° | 85.0° |
| C44 | C42 | C43 | N8 | 151.7° | 60.0° |
| H77 | C42 | C43 | O9 | 149.7° | 120.0° |
| H77 | C42 | C44 | C45 | 68.9° | 55.0° |
| H77 | C42 | C44 | H78 | 51.5° | 65.0° |
| H77 | C42 | C44 | H79 | 170.7° | 175.0° |
| H77 | C42 | N7 | C37 | 19.1° | 35.0° |
| H77 | C42 | C43 | N8 | 31.9° | 60.0° |
| O9 | C43 | N8 | C48 | 2.3° | 0.0° |
| O9 | C43 | N8 | H87 | 177.7° | 180.0° |
| C45 | C44 | H78 | H79 | 118.6° | 119.9° |
| C44 | C45 | C46 | H80 | 120.1° | 120.0° |
| C44 | C45 | C46 | H81 | 120.1° | 120.0° |
| C44 | C45 | H80 | H81 | 119.7° | 120.0° |
| C44 | C45 | C46 | C47 | 178.8° | 180.0° |
| C44 | C45 | C46 | H82 | 61.1° | 60.1° |
| C44 | C45 | C46 | H83 | 58.6° | 60.0° |
| H78 | C44 | C45 | C46 | 55.7° | 60.0° |
| H78 | C44 | C45 | H80 | 175.8° | 180.0° |
| H78 | C44 | C45 | H81 | 64.4° | 60.1° |
| H79 | C44 | C45 | C46 | 63.4° | 59.9° |
| H79 | C44 | C45 | H80 | 56.7° | 60.0° |
| H79 | C44 | C45 | H81 | 176.5° | 180.0° |
| C46 | C45 | H80 | H81 | 119.6° | 120.1° |
| C45 | C46 | C47 | H82 | 120.2° | 120.0° |
| C45 | C46 | C47 | H83 | 120.2° | 120.1° |
| C45 | C46 | H82 | H83 | 119.6° | 120.1° |
| C45 | C46 | C47 | H84 | 180.0° | 180.0° |
| C45 | C46 | C47 | H85 | 60.0° | 60.0° |
| C45 | C46 | C47 | H86 | 60.0° | 60.0° |
| H80 | C45 | C46 | C47 | 58.6° | 60.0° |
| H80 | C45 | C46 | H82 | 178.8° | 179.9° |
| H80 | C45 | C46 | H83 | 61.5° | 60.0° |
| H81 | C45 | C46 | C47 | 61.1° | 60.0° |
| H81 | C45 | C46 | H82 | 59.0° | 59.9° |
| H81 | C45 | C46 | H83 | 178.7° | 180.0° |
| C47 | C46 | H82 | H83 | 119.6° | 119.9° |
| C46 | C47 | H84 | H85 | 120.0° | 120.0° |
| C46 | C47 | H84 | H86 | 120.0° | 120.0° |
| C46 | C47 | H85 | H86 | 120.0° | 120.0° |
| H82 | C46 | C47 | H84 | 59.9° | 60.0° |
| H82 | C46 | C47 | H85 | 179.8° | 180.0° |
| H82 | C46 | C47 | H86 | 60.1° | 60.0° |
| H83 | C46 | C47 | H84 | 59.8° | 59.9° |
| H83 | C46 | C47 | H85 | 60.1° | 60.0° |
| H83 | C46 | C47 | H86 | 179.8° | 180.0° |
| H84 | C47 | H85 | H86 | 120.0° | 120.0° |
| C48 | N8 | H87 | C43 | 180.0° | 180.0° |
| N8 | C48 | C49 | C50 | 120.2° | 120.0° |
| N8 | C48 | C49 | H88 | 119.4° | 119.9° |
| N8 | C48 | C50 | H88 | 120.8° | 119.9° |
| N8 | C48 | C49 | O10 | 37.6° | 0.0° |
| N8 | C48 | C50 | C51 | 64.8° | 65.0° |
| N8 | C48 | C50 | H89 | 55.6° | 55.0° |
| N8 | C48 | C50 | H90 | 174.8° | 175.0° |
| N8 | C48 | C49 | N9 | 142.2° | 180.0° |
| H87 | N8 | C48 | C49 | 114.6° | 25.0° |
| H87 | N8 | C48 | C50 | 6.6° | 95.0° |
| H87 | N8 | C48 | H88 | 126.7° | 145.0° |
| C49 | C48 | C50 | H88 | 120.4° | 120.1° |
| C48 | C49 | O10 | N9 | 179.8° | 180.0° |
| C49 | C48 | C50 | C51 | 176.4° | 175.0° |
| C49 | C48 | C50 | H89 | 63.2° | 65.0° |
| C49 | C48 | C50 | H90 | 56.1° | 55.1° |
| C48 | C49 | N9 | C56 | 169.3° | 180.0° |
| C48 | C49 | N9 | C55 | 6.6° | 0.1° |
| C49 | C48 | N8 | C43 | 65.4° | 155.0° |
| C50 | C48 | C49 | O10 | 82.5° | 120.0° |
| C48 | C50 | C51 | H89 | 120.4° | 120.0° |
| C48 | C50 | C51 | H90 | 120.4° | 119.9° |
| C48 | C50 | H89 | H90 | 118.9° | 120.0° |
| C48 | C50 | C51 | C52 | 169.8° | 180.0° |
| C48 | C50 | C51 | H91 | 69.8° | 59.9° |
| C48 | C50 | C51 | H92 | 49.4° | 60.1° |
| C50 | C48 | N8 | C43 | 173.4° | 85.0° |
| C50 | C48 | C49 | N9 | 97.7° | 60.0° |
| H88 | C48 | C49 | O10 | 157.0° | 119.9° |
| H88 | C48 | C50 | C51 | 56.0° | 54.9° |
| H88 | C48 | C50 | H89 | 176.4° | 174.9° |
| H88 | C48 | C50 | H90 | 64.4° | 65.0° |
| H88 | C48 | N8 | C43 | 53.2° | 35.0° |
| H88 | C48 | C49 | N9 | 22.8° | 60.1° |
| O10 | C49 | N9 | C56 | 10.5° | 0.0° |
| O10 | C49 | N9 | C55 | 173.6° | 179.9° |
| C51 | C50 | H89 | H90 | 118.8° | 120.0° |
| C50 | C51 | C52 | H91 | 120.4° | 120.1° |
| C50 | C51 | C52 | H92 | 120.4° | 120.0° |
| C50 | C51 | H91 | H92 | 118.9° | 120.0° |
| C50 | C51 | C52 | C53 | 61.8° | NaN° |
| C50 | C51 | C52 | H93 | 177.7° | 59.9° |
| C50 | C51 | C52 | H94 | 58.6° | 60.0° |
| H89 | C50 | C51 | C52 | 49.4° | 60.0° |
| H89 | C50 | C51 | H91 | 169.8° | 180.0° |
| H89 | C50 | C51 | H92 | 70.9° | 60.0° |
| H90 | C50 | C51 | C52 | 69.8° | 60.1° |
| H90 | C50 | C51 | H91 | 50.6° | 60.0° |
| H90 | C50 | C51 | H92 | 169.8° | 180.0° |
| C52 | C51 | H91 | H92 | 118.9° | 119.9° |
| C51 | C52 | C53 | H93 | 120.5° | 120.1° |
| C51 | C52 | C53 | H94 | 120.5° | 120.0° |
| C51 | C52 | H93 | H94 | 118.6° | 120.0° |
| C51 | C52 | C53 | H95 | 180.0° | 180.0° |
| C51 | C52 | C53 | H96 | 60.0° | 60.0° |
| C51 | C52 | C53 | H97 | 60.0° | 60.1° |
| H91 | C51 | C52 | C53 | 58.5° | 59.9° |
| H91 | C51 | C52 | H93 | 61.9° | 180.0° |
| H91 | C51 | C52 | H94 | 179.0° | 60.0° |
| H92 | C51 | C52 | C53 | 177.8° | 60.0° |
| H92 | C51 | C52 | H93 | 57.3° | 60.1° |
| H92 | C51 | C52 | H94 | 61.7° | 180.0° |
| C53 | C52 | H93 | H94 | 118.5° | 119.9° |
| C52 | C53 | H95 | H96 | 120.0° | 120.1° |
| C52 | C53 | H95 | H97 | 120.0° | 119.9° |
| C52 | C53 | H96 | H97 | 120.0° | 120.0° |
| H93 | C52 | C53 | H95 | 59.5° | 59.9° |
| H93 | C52 | C53 | H96 | 179.6° | 179.9° |
| H93 | C52 | C53 | H97 | 60.5° | 60.0° |
| H94 | C52 | C53 | H95 | 59.5° | 60.0° |
| H94 | C52 | C53 | H96 | 60.5° | 60.0° |
| H94 | C52 | C53 | H97 | 179.5° | 179.9° |
| H95 | C53 | H96 | H97 | 120.0° | 119.9° |
| O11 | C54 | C56 | N10 | 178.7° | 180.0° |
| O11 | C54 | C56 | N9 | 64.0° | 0.0° |
| O11 | C54 | C56 | C57 | 168.5° | 120.0° |
| O11 | C54 | C56 | H98 | 51.9° | 120.0° |
| O11 | C54 | N10 | C61 | 0.8° | 0.0° |
| O11 | C54 | N10 | H111 | 179.2° | 180.0° |
| C54 | C56 | N9 | C57 | 129.1° | 120.0° |
| C54 | C56 | N9 | H98 | 115.4° | 120.0° |
| C54 | C56 | N9 | C55 | 119.5° | 60.1° |
| C54 | C56 | C57 | H98 | 116.7° | 120.0° |
| C54 | C56 | C57 | H99 | 65.0° | 65.0° |
| C54 | C56 | C57 | H100 | 54.4° | 55.0° |
| C54 | C56 | C57 | C60 | 174.7° | 175.0° |
| C56 | C54 | N10 | C61 | 177.9° | 180.0° |
| C56 | C54 | N10 | H111 | 2.1° | 0.0° |
| C54 | C56 | N9 | C49 | 56.6° | 120.0° |
| C56 | N9 | C55 | C49 | 176.0° | 179.9° |
| C56 | N9 | C55 | H101 | 180.0° | 30.0° |
| C56 | N9 | C55 | H103 | 60.0° | 90.1° |
| C56 | N9 | C55 | H102 | 60.0° | 150.0° |
| N9 | C56 | C57 | H98 | 116.0° | 120.0° |
| N9 | C56 | C57 | H99 | 62.3° | 55.0° |
| N9 | C56 | C57 | H100 | 178.3° | 175.0° |
| N9 | C56 | C57 | C60 | 58.0° | 65.0° |
| N9 | C56 | C54 | N10 | 117.3° | 180.0° |
| N9 | C55 | H101 | H103 | 120.0° | 119.9° |
| N9 | C55 | H101 | H102 | 120.0° | 120.0° |
| N9 | C55 | H103 | H102 | 120.0° | 120.0° |
| C55 | N9 | C56 | C57 | 111.4° | 60.0° |
| C55 | N9 | C56 | H98 | 4.1° | 179.9° |
| H101 | C55 | H103 | H102 | 120.0° | 120.0° |
| H101 | C55 | N9 | C49 | 4.0° | 150.0° |
| H103 | C55 | N9 | C49 | 124.0° | 90.0° |
| H102 | C55 | N9 | C49 | 116.0° | 29.9° |
| C56 | C57 | H99 | H100 | 119.1° | 120.0° |
| C56 | C57 | H99 | C60 | 121.8° | 120.0° |
| C56 | C57 | H100 | C60 | 121.8° | 120.0° |
| C56 | C57 | C60 | C58 | 179.4° | 180.0° |
| C56 | C57 | C60 | H110 | 60.2° | 60.0° |
| C56 | C57 | C60 | H109 | 58.9° | 60.0° |
| C57 | C56 | N9 | C49 | 72.5° | 119.9° |
| C57 | C56 | C54 | N10 | 10.1° | 60.0° |
| H98 | C56 | C57 | H99 | 178.3° | 175.0° |
| H98 | C56 | C57 | H100 | 62.3° | 65.0° |
| H98 | C56 | C57 | C60 | 58.0° | 55.0° |
| H98 | C56 | N9 | C49 | 172.0° | 0.0° |
| H98 | C56 | C54 | N10 | 126.8° | 60.0° |
| H99 | C57 | H100 | C60 | 119.1° | 120.0° |
| H99 | C57 | C60 | C58 | 59.0° | 59.9° |
| H99 | C57 | C60 | H110 | 179.5° | 60.0° |
| H99 | C57 | C60 | H109 | 61.4° | 179.9° |
| H100 | C57 | C60 | C58 | 60.3° | 60.0° |
| H100 | C57 | C60 | H110 | 60.1° | 180.0° |
| H100 | C57 | C60 | H109 | 179.3° | 59.9° |
| C57 | C60 | C58 | C59 | 72.2° | 180.0° |
| C57 | C60 | C58 | H105 | 167.4° | 60.0° |
| C57 | C60 | C58 | H104 | 48.3° | 60.1° |
| C57 | C60 | C58 | H110 | 120.4° | 119.9° |
| C57 | C60 | C58 | H109 | 120.4° | 120.0° |
| C57 | C60 | H110 | H109 | 118.7° | 120.1° |
| C59 | C58 | H105 | H104 | 118.7° | 120.0° |
| C59 | C58 | H105 | C60 | 122.7° | 120.0° |
| C59 | C58 | H104 | C60 | 122.7° | 119.9° |
| C58 | C59 | H107 | H108 | 120.0° | 119.9° |
| C58 | C59 | H107 | H106 | 120.0° | 120.0° |
| C58 | C59 | H108 | H106 | 120.0° | 120.0° |
| C59 | C58 | C60 | H110 | 167.5° | 60.1° |
| C59 | C58 | C60 | H109 | 48.2° | 60.0° |
| H105 | C58 | H104 | C60 | 118.7° | 120.0° |
| H105 | C58 | C59 | H107 | 59.6° | 60.0° |
| H105 | C58 | C59 | H108 | 60.4° | 60.0° |
| H105 | C58 | C59 | H106 | 179.6° | 180.0° |
| H105 | C58 | C60 | H110 | 47.0° | 60.0° |
| H105 | C58 | C60 | H109 | 72.2° | 180.0° |
| H104 | C58 | C59 | H107 | 59.5° | 180.0° |
| H104 | C58 | C59 | H108 | 179.5° | 60.0° |
| H104 | C58 | C59 | H106 | 60.5° | 60.0° |
| H104 | C58 | C60 | H110 | 72.1° | 180.0° |
| H104 | C58 | C60 | H109 | 168.7° | 60.0° |
| C60 | C58 | C59 | H107 | 180.0° | 60.0° |
| C60 | C58 | C59 | H108 | 60.0° | 180.0° |
| C60 | C58 | C59 | H106 | 60.0° | 60.0° |
| C58 | C60 | H110 | H109 | 118.8° | 120.0° |
| H107 | C59 | H108 | H106 | 120.0° | 120.0° |
| C61 | N10 | H111 | C54 | 180.0° | 180.0° |
| N10 | C61 | C62 | C63 | 125.6° | 120.0° |
| N10 | C61 | C62 | H112 | 116.8° | 120.0° |
| N10 | C61 | C63 | H112 | 118.3° | 120.0° |
| N10 | C61 | C62 | O12 | 45.9° | 0.1° |
| N10 | C61 | C63 | C64 | 46.8° | 65.0° |
| N10 | C61 | C63 | H113 | 73.5° | 55.1° |
| N10 | C61 | C63 | H114 | 167.0° | 175.0° |
| N10 | C61 | C62 | N11 | 132.1° | 180.0° |
| H111 | N10 | C61 | C62 | 117.7° | 25.0° |
| H111 | N10 | C61 | C63 | 8.5° | 95.0° |
| H111 | N10 | C61 | H112 | 126.2° | 145.0° |
| C62 | C61 | C63 | H112 | 117.6° | 120.0° |
| C61 | C62 | O12 | N11 | 177.9° | 179.9° |
| C62 | C61 | C63 | C64 | 170.9° | 175.0° |
| C62 | C61 | C63 | H113 | 50.6° | 65.0° |
| C62 | C61 | C63 | H114 | 68.9° | 55.0° |
| C61 | C62 | N11 | C67 | 169.7° | 180.0° |
| C61 | C62 | N11 | H122 | 10.3° | 0.0° |
| C62 | C61 | N10 | C54 | 62.3° | 155.0° |
| C63 | C61 | C62 | O12 | 79.7° | 120.1° |
| C61 | C63 | C64 | H113 | 120.2° | 120.0° |
| C61 | C63 | C64 | H114 | 120.2° | 120.0° |
| C61 | C63 | H113 | H114 | 119.3° | 119.9° |
| C61 | C63 | C64 | C65 | 167.5° | 180.0° |
| C61 | C63 | C64 | H115 | 47.0° | 60.0° |
| C61 | C63 | C64 | H116 | 72.0° | 60.0° |
| C63 | C61 | N10 | C54 | 171.5° | 85.0° |
| C63 | C61 | C62 | N11 | 102.3° | 60.0° |
| H112 | C61 | C62 | O12 | 162.7° | 119.9° |
| H112 | C61 | C63 | C64 | 71.5° | 55.0° |
| H112 | C61 | C63 | H113 | 168.3° | 175.1° |
| H112 | C61 | C63 | H114 | 48.7° | 65.0° |
| H112 | C61 | N10 | C54 | 53.8° | 35.0° |
| H112 | C61 | C62 | N11 | 15.3° | 60.0° |
| O12 | C62 | N11 | C67 | 8.3° | 0.0° |
| O12 | C62 | N11 | H122 | 171.7° | 179.9° |
| C64 | C63 | H113 | H114 | 119.3° | 120.1° |
| C63 | C64 | C65 | H115 | 120.4° | 120.0° |
| C63 | C64 | C65 | H116 | 120.5° | 120.0° |
| C63 | C64 | H115 | H116 | 118.6° | 120.0° |
| C63 | C64 | C65 | C66 | 71.2° | 180.0° |
| C63 | C64 | C65 | H117 | 168.3° | 60.0° |
| C63 | C64 | C65 | H118 | 49.3° | 60.0° |
| H113 | C63 | C64 | C65 | 72.3° | 60.0° |
| H113 | C63 | C64 | H115 | 167.3° | 179.9° |
| H113 | C63 | C64 | H116 | 48.2° | 60.0° |
| H114 | C63 | C64 | C65 | 47.3° | 60.1° |
| H114 | C63 | C64 | H115 | 73.2° | 60.0° |
| H114 | C63 | C64 | H116 | 167.8° | 180.0° |
| C65 | C64 | H115 | H116 | 118.6° | 120.0° |
| C64 | C65 | C66 | H117 | 120.5° | 120.0° |
| C64 | C65 | C66 | H118 | 120.5° | 120.0° |
| C64 | C65 | H117 | H118 | 118.5° | 120.0° |
| C64 | C65 | C66 | H119 | 180.0° | 60.0° |
| C64 | C65 | C66 | H120 | 60.0° | 60.1° |
| C64 | C65 | C66 | H121 | 60.0° | 179.9° |
| H115 | C64 | C65 | C66 | 49.2° | 60.0° |
| H115 | C64 | C65 | H117 | 71.3° | 179.9° |
| H115 | C64 | C65 | H118 | 169.7° | 60.0° |
| H116 | C64 | C65 | C66 | 168.3° | 60.0° |
| H116 | C64 | C65 | H117 | 47.8° | 60.0° |
| H116 | C64 | C65 | H118 | 71.2° | NaN° |
| C66 | C65 | H117 | H118 | 118.5° | 120.0° |
| C65 | C66 | H119 | H120 | 120.0° | 120.0° |
| C65 | C66 | H119 | H121 | 120.0° | 119.9° |
| C65 | C66 | H120 | H121 | 120.0° | 120.0° |
| H117 | C65 | C66 | H119 | 59.5° | 180.0° |
| H117 | C65 | C66 | H120 | 179.5° | 59.9° |
| H117 | C65 | C66 | H121 | 60.5° | 60.1° |
| H118 | C65 | C66 | H119 | 59.5° | 60.0° |
| H118 | C65 | C66 | H120 | 60.5° | 180.0° |
| H118 | C65 | C66 | H121 | 179.5° | 60.0° |
| H119 | C66 | H120 | H121 | 120.0° | 120.0° |
| C67 | N11 | H122 | C62 | 180.0° | 180.0° |
| N11 | C67 | C68 | C69 | 120.9° | 120.0° |
| N11 | C67 | C68 | H123 | 118.4° | 120.0° |
| N11 | C67 | C69 | H123 | 120.2° | 120.0° |
| N11 | C67 | C68 | O13 | 114.0° | 0.0° |
| N11 | C67 | C69 | C70 | 63.0° | 65.0° |
| N11 | C67 | C69 | H124 | 176.8° | 175.0° |
| N11 | C67 | C69 | H125 | 57.1° | 55.0° |
| N11 | C67 | C68 | N12 | 63.9° | 180.0° |
| H122 | N11 | C67 | C68 | 68.0° | 25.0° |
| H122 | N11 | C67 | C69 | 54.8° | 95.0° |
| H122 | N11 | C67 | H123 | 174.3° | 145.0° |
| C68 | C67 | C69 | H123 | 120.7° | 120.0° |
| C67 | C68 | O13 | N12 | 177.8° | 180.0° |
| C68 | C67 | C69 | C70 | 177.9° | 175.0° |
| C68 | C67 | C69 | H124 | 57.8° | 55.0° |
| C68 | C67 | C69 | H125 | 61.9° | 65.0° |
| C67 | C68 | N12 | C73 | 171.9° | 180.0° |
| C67 | C68 | N12 | H133 | 8.1° | 0.0° |
| C68 | C67 | N11 | C62 | 112.0° | 155.0° |
| C69 | C67 | C68 | O13 | 6.9° | 120.0° |
| C67 | C69 | C70 | H124 | 120.2° | 120.0° |
| C67 | C69 | C70 | H125 | 120.2° | 119.9° |
| C67 | C69 | H124 | H125 | 119.5° | 119.9° |
| C67 | C69 | C70 | C71 | 170.8° | 180.0° |
| C67 | C69 | C70 | H126 | 68.8° | 60.0° |
| C67 | C69 | C70 | H127 | 50.3° | 60.0° |
| C69 | C67 | N11 | C62 | 125.3° | 85.0° |
| C69 | C67 | C68 | N12 | 175.2° | 60.0° |
| H123 | C67 | C68 | O13 | 127.6° | 120.0° |
| H123 | C67 | C69 | C70 | 57.2° | 55.0° |
| H123 | C67 | C69 | H124 | 63.0° | 65.0° |
| H123 | C67 | C69 | H125 | 177.4° | 175.0° |
| H123 | C67 | N11 | C62 | 5.7° | 35.0° |
| H123 | C67 | C68 | N12 | 54.4° | 60.0° |
| O13 | C68 | N12 | C73 | 6.0° | 0.0° |
| O13 | C68 | N12 | H133 | 174.0° | 179.9° |
| C70 | C69 | H124 | H125 | 119.4° | 120.1° |
| C69 | C70 | C71 | H126 | 120.4° | 120.1° |
| C69 | C70 | C71 | H127 | 120.4° | 119.9° |
| C69 | C70 | H126 | H127 | 118.7° | 120.0° |
| C69 | C70 | C71 | C72 | 64.0° | 180.0° |
| C69 | C70 | C71 | H128 | 175.6° | 59.9° |
| C69 | C70 | C71 | H129 | 56.5° | 60.1° |
| H124 | C69 | C70 | C71 | 50.6° | 60.0° |
| H124 | C69 | C70 | H126 | 171.0° | 179.9° |
| H124 | C69 | C70 | H127 | 69.9° | 59.9° |
| H125 | C69 | C70 | C71 | 69.0° | 60.1° |
| H125 | C69 | C70 | H126 | 51.4° | 60.0° |
| H125 | C69 | C70 | H127 | 170.5° | 180.0° |
| C71 | C70 | H126 | H127 | 118.7° | 120.0° |
| C70 | C71 | C72 | H128 | 120.4° | 120.1° |
| C70 | C71 | C72 | H129 | 120.4° | 119.9° |
| C70 | C71 | H128 | H129 | 118.6° | 119.9° |
| C70 | C71 | C72 | H130 | 180.0° | 179.9° |
| C70 | C71 | C72 | H131 | 60.0° | 59.9° |
| C70 | C71 | C72 | H132 | 60.0° | 60.1° |
| H126 | C70 | C71 | C72 | 56.5° | 59.9° |
| H126 | C70 | C71 | H128 | 64.0° | 180.0° |
| H126 | C70 | C71 | H129 | 176.9° | 60.0° |
| H127 | C70 | C71 | C72 | 175.6° | 60.0° |
| H127 | C70 | C71 | H128 | 55.2° | 60.0° |
| H127 | C70 | C71 | H129 | 64.0° | 180.0° |
| C72 | C71 | H128 | H129 | 118.7° | 120.0° |
| C71 | C72 | H130 | H131 | 120.0° | 120.1° |
| C71 | C72 | H130 | H132 | 120.0° | 120.0° |
| C71 | C72 | H131 | H132 | 120.0° | 120.1° |
| H128 | C71 | C72 | H130 | 59.6° | 60.0° |
| H128 | C71 | C72 | H131 | 179.6° | NaN° |
| H128 | C71 | C72 | H132 | 60.4° | 60.0° |
| H129 | C71 | C72 | H130 | 59.6° | 60.0° |
| H129 | C71 | C72 | H131 | 60.4° | 60.0° |
| H129 | C71 | C72 | H132 | 179.6° | 180.0° |
| H130 | C72 | H131 | H132 | 120.0° | 119.9° |
| C73 | N12 | H133 | C68 | 180.0° | 180.0° |
| N12 | C73 | C74 | C75 | 120.6° | 120.0° |
| N12 | C73 | C74 | H134 | 119.7° | 120.0° |
| N12 | C73 | C75 | H134 | 120.0° | 120.0° |
| N12 | C73 | C74 | O14 | 134.1° | 0.1° |
| N12 | C73 | C74 | O15 | 46.0° | 180.0° |
| N12 | C73 | C75 | C76 | 179.1° | 65.0° |
| N12 | C73 | C75 | H135 | 58.3° | 55.0° |
| N12 | C73 | C75 | H136 | 60.2° | 175.0° |
| H133 | N12 | C73 | C74 | 117.7° | 94.9° |
| H133 | N12 | C73 | C75 | 3.8° | 25.0° |
| H133 | N12 | C73 | H134 | 123.2° | 145.0° |
| C74 | C73 | C75 | H134 | 119.9° | 120.0° |
| C73 | C74 | O14 | O15 | 179.9° | 179.9° |
| C74 | C73 | C75 | C76 | 60.8° | 175.0° |
| C74 | C73 | C75 | H135 | 178.5° | 64.9° |
| C74 | C73 | C75 | H136 | 60.0° | 55.0° |
| C73 | C74 | O15 | C79 | 74.1° | 180.0° |
| C74 | C73 | N12 | C68 | 62.3° | 85.0° |
| C75 | C73 | C74 | O14 | 105.3° | 120.0° |
| C75 | C73 | C74 | O15 | 74.5° | 60.1° |
| C73 | C75 | C76 | H135 | 120.7° | 120.0° |
| C73 | C75 | C76 | H136 | 120.7° | 120.0° |
| C73 | C75 | H135 | H136 | 117.8° | 119.9° |
| C73 | C75 | C76 | C77 | 64.0° | 180.0° |
| C73 | C75 | C76 | H137 | 175.6° | 60.0° |
| C73 | C75 | C76 | H138 | 56.4° | 60.0° |
| C75 | C73 | N12 | C68 | 176.2° | 155.0° |
| H134 | C73 | C74 | O14 | 14.4° | 119.9° |
| H134 | C73 | C74 | O15 | 165.7° | 60.0° |
| H134 | C73 | C75 | C76 | 59.1° | 55.0° |
| H134 | C73 | C75 | H135 | 61.7° | 175.0° |
| H134 | C73 | C75 | H136 | 179.8° | 65.0° |
| H134 | C73 | N12 | C68 | 56.8° | 35.0° |
| O14 | C74 | O15 | C79 | 106.1° | 0.1° |
| C74 | O15 | C79 | H144 | 90.0° | 180.0° |
| C74 | O15 | C79 | H145 | 90.0° | 60.0° |
| C74 | O15 | C79 | H146 | 90.0° | 60.1° |
| C76 | C75 | H135 | H136 | 117.7° | 120.0° |
| C75 | C76 | C77 | H137 | 120.4° | 120.0° |
| C75 | C76 | C77 | H138 | 120.4° | 120.0° |
| C75 | C76 | H137 | H138 | 118.7° | 120.0° |
| C75 | C76 | C77 | C78 | 173.1° | 180.0° |
| C75 | C76 | C77 | H139 | 66.8° | 60.0° |
| C75 | C76 | C77 | H140 | 53.0° | 60.1° |
| H135 | C75 | C76 | C77 | 56.7° | 60.0° |
| H135 | C75 | C76 | H137 | 63.7° | 180.0° |
| H135 | C75 | C76 | H138 | 177.2° | 60.0° |
| H136 | C75 | C76 | C77 | 175.3° | 60.0° |
| H136 | C75 | C76 | H137 | 54.8° | 60.0° |
| H136 | C75 | C76 | H138 | 64.3° | 180.0° |
| C77 | C76 | H137 | H138 | 118.7° | 120.0° |
| C76 | C77 | C78 | H139 | 120.1° | 120.1° |
| C76 | C77 | C78 | H140 | 120.1° | 120.0° |
| C76 | C77 | H139 | H140 | 119.6° | 120.0° |
| C76 | C77 | C78 | H141 | 180.0° | 60.0° |
| C76 | C77 | C78 | H142 | 60.0° | 60.0° |
| C76 | C77 | C78 | H143 | 60.0° | 180.0° |
| H137 | C76 | C77 | C78 | 52.7° | 60.0° |
| H137 | C76 | C77 | H139 | 172.8° | 180.0° |
| H137 | C76 | C77 | H140 | 67.4° | 60.0° |
| H138 | C76 | C77 | C78 | 66.5° | 60.0° |
| H138 | C76 | C77 | H139 | 53.6° | 60.0° |
| H138 | C76 | C77 | H140 | 173.4° | 179.9° |
| C78 | C77 | H139 | H140 | 119.7° | 119.9° |
| C77 | C78 | H141 | H142 | 120.0° | 120.0° |
| C77 | C78 | H141 | H143 | 120.0° | 120.0° |
| C77 | C78 | H142 | H143 | 120.0° | 120.0° |
| H139 | C77 | C78 | H141 | 59.9° | 179.9° |
| H139 | C77 | C78 | H142 | 179.9° | 60.1° |
| H139 | C77 | C78 | H143 | 60.1° | 60.0° |
| H140 | C77 | C78 | H141 | 59.9° | 60.0° |
| H140 | C77 | C78 | H142 | 60.1° | 180.0° |
| H140 | C77 | C78 | H143 | 179.9° | 60.0° |
| H141 | C78 | H142 | H143 | 119.9° | 120.0° |
| O15 | C79 | H144 | H145 | 90.0° | 120.0° |
| O15 | C79 | H144 | H146 | 90.0° | 120.0° |
| O15 | C79 | H145 | H146 | 90.0° | 120.1° |
| H144 | C79 | H145 | H146 | 90.0° | 119.9° |
