PRD_001006
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.44Å | |
| N1 | H1 | sing | 0.99Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C3 | sing | 1.46Å | 1.44Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C4 | O2 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | C8 | sing | 1.46Å | 1.43Å | |
| N3 | H13 | sing | 0.98Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | O3 | doub | 1.22Å | 1.24Å | |
| C10 | S1 | sing | 1.81Å | 1.83Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | C11 | sing | 1.46Å | 1.43Å | |
| N4 | H17 | sing | 0.98Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | H18 | sing | 1.10Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | N5 | sing | 1.47Å | 1.47Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| N5 | C16 | sing | 1.37Å | 1.34Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C16 | N6 | sing | 1.33Å | 1.34Å | |
| C16 | N7 | doub | 1.33Å | 1.33Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å | |
| N7 | H28 | sing | 0.97Å | 1.00Å | |
| N7 | H29 | sing | 0.97Å | 1.00Å | |
| N8 | C17 | sing | 1.46Å | 1.43Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| N9 | C21 | sing | 1.47Å | 1.44Å | |
| N9 | H37 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.50Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | O6 | doub | 1.22Å | 1.22Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| N10 | C26 | sing | 1.47Å | 1.44Å | |
| N10 | H46 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O7 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| N11 | C30 | sing | 1.46Å | 1.44Å | |
| N11 | H53 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | O8 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | N12 | sing | 1.47Å | 1.47Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| N12 | C35 | sing | 1.37Å | 1.33Å | |
| N12 | H61 | sing | 0.97Å | 1.00Å | |
| C35 | N13 | sing | 1.33Å | 1.33Å | |
| C35 | N14 | doub | 1.33Å | 1.33Å | |
| N13 | H62 | sing | 0.97Å | 1.00Å | |
| N13 | H63 | sing | 0.97Å | 1.00Å | |
| N14 | H64 | sing | 0.97Å | 1.00Å | |
| N14 | H65 | sing | 0.97Å | 1.00Å | |
| N15 | C36 | sing | 1.46Å | 1.47Å | |
| N15 | H66 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.21Å | 1.24Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | N16 | sing | 1.46Å | 1.46Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C40 | H73 | sing | 1.09Å | 1.10Å | |
| N16 | C41 | sing | 1.37Å | 1.33Å | |
| N16 | H74 | sing | 0.97Å | 1.00Å | |
| C41 | N17 | sing | 1.33Å | 1.33Å | |
| C41 | N18 | doub | 1.33Å | 1.32Å | |
| N17 | H75 | sing | 0.97Å | 1.00Å | |
| N17 | H76 | sing | 0.97Å | 1.00Å | |
| N18 | H77 | sing | 0.97Å | 1.00Å | |
| N18 | H78 | sing | 0.97Å | 1.00Å | |
| N19 | C42 | sing | 1.46Å | 1.45Å | |
| N19 | H79 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| C42 | H81 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.21Å | 1.24Å | |
| N20 | C44 | sing | 1.46Å | 1.46Å | |
| N20 | H82 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.52Å | |
| C44 | C46 | sing | 1.53Å | 1.56Å | |
| C44 | H83 | sing | 1.09Å | 1.10Å | |
| C45 | O11 | doub | 1.21Å | 1.24Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.52Å | |
| C46 | H84 | sing | 1.09Å | 1.10Å | |
| C47 | H85 | sing | 1.09Å | 1.10Å | |
| C47 | H86 | sing | 1.09Å | 1.10Å | |
| C47 | H87 | sing | 1.09Å | 1.10Å | |
| C48 | H88 | sing | 1.09Å | 1.10Å | |
| C48 | H89 | sing | 1.09Å | 1.10Å | |
| C48 | H90 | sing | 1.09Å | 1.10Å | |
| N21 | C49 | sing | 1.46Å | 1.44Å | |
| N21 | H91 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.52Å | |
| C49 | C51 | sing | 1.53Å | 1.54Å | |
| C49 | H92 | sing | 1.09Å | 1.10Å | |
| C50 | O12 | doub | 1.21Å | 1.24Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | H93 | sing | 1.09Å | 1.10Å | |
| C51 | H94 | sing | 1.09Å | 1.10Å | |
| C52 | H95 | sing | 1.09Å | 1.10Å | |
| C52 | H96 | sing | 1.09Å | 1.10Å | |
| C52 | H97 | sing | 1.09Å | 1.10Å | |
| N22 | C53 | sing | 1.46Å | 1.43Å | |
| N22 | H98 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.52Å | |
| C53 | C55 | sing | 1.53Å | 1.53Å | |
| C53 | H99 | sing | 1.09Å | 1.10Å | |
| C54 | O13 | doub | 1.21Å | 1.23Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | H100 | sing | 1.09Å | 1.10Å | |
| C55 | H101 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | H102 | sing | 1.09Å | 1.10Å | |
| C56 | H103 | sing | 1.09Å | 1.10Å | |
| C57 | N23 | sing | 1.47Å | 1.47Å | |
| C57 | H104 | sing | 1.09Å | 1.10Å | |
| C57 | H105 | sing | 1.09Å | 1.10Å | |
| N23 | C58 | sing | 1.37Å | 1.34Å | |
| N23 | H106 | sing | 0.97Å | 1.00Å | |
| C58 | N24 | sing | 1.33Å | 1.33Å | |
| C58 | N25 | doub | 1.33Å | 1.33Å | |
| N24 | H107 | sing | 0.97Å | 1.00Å | |
| N24 | H108 | sing | 0.97Å | 1.00Å | |
| N25 | H109 | sing | 0.97Å | 1.00Å | |
| N25 | H110 | sing | 0.97Å | 1.00Å | |
| N26 | C59 | sing | 1.46Å | 1.44Å | |
| N26 | H111 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.51Å | |
| C59 | C61 | sing | 1.53Å | 1.54Å | |
| C59 | H112 | sing | 1.09Å | 1.10Å | |
| C60 | O14 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.53Å | 1.51Å | |
| C61 | H113 | sing | 1.09Å | 1.10Å | |
| C61 | H114 | sing | 1.09Å | 1.10Å | |
| C62 | H115 | sing | 1.09Å | 1.10Å | |
| C62 | H116 | sing | 1.09Å | 1.10Å | |
| C62 | H117 | sing | 1.09Å | 1.10Å | |
| N27 | C63 | sing | 1.47Å | 1.44Å | |
| N27 | H118 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.52Å | |
| C63 | C65 | sing | 1.53Å | 1.57Å | |
| C63 | H119 | sing | 1.09Å | 1.10Å | |
| C64 | O15 | doub | 1.22Å | 1.24Å | |
| C65 | C66 | sing | 1.53Å | 1.52Å | |
| C65 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | H120 | sing | 1.09Å | 1.10Å | |
| C66 | H121 | sing | 1.09Å | 1.10Å | |
| C66 | H122 | sing | 1.09Å | 1.10Å | |
| C66 | H123 | sing | 1.09Å | 1.10Å | |
| C67 | H124 | sing | 1.09Å | 1.10Å | |
| C67 | H125 | sing | 1.09Å | 1.10Å | |
| C67 | H126 | sing | 1.09Å | 1.10Å | |
| N28 | C68 | sing | 1.47Å | 1.43Å | |
| N28 | H127 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.49Å | |
| C68 | C70 | sing | 1.52Å | 1.53Å | |
| C68 | H128 | sing | 1.09Å | 1.10Å | |
| C69 | O16 | doub | 1.21Å | 1.24Å | |
| C70 | S2 | sing | 1.82Å | 1.83Å | |
| C70 | H129 | sing | 1.09Å | 1.10Å | |
| C70 | H130 | sing | 1.09Å | 1.10Å | |
| N29 | C71 | sing | 1.46Å | 1.42Å | |
| N29 | H131 | sing | 0.97Å | 1.00Å | |
| C71 | C72 | sing | 1.52Å | 1.50Å | |
| C71 | C73 | sing | 1.53Å | 1.53Å | |
| C71 | H132 | sing | 1.09Å | 1.10Å | |
| C72 | O17 | doub | 1.21Å | 1.24Å | |
| C73 | C74 | sing | 1.53Å | 1.52Å | |
| C73 | H133 | sing | 1.09Å | 1.10Å | |
| C73 | H134 | sing | 1.09Å | 1.10Å | |
| C74 | C75 | sing | 1.53Å | 1.51Å | |
| C74 | H135 | sing | 1.09Å | 1.10Å | |
| C74 | H136 | sing | 1.09Å | 1.10Å | |
| C75 | N30 | sing | 1.47Å | 1.47Å | |
| C75 | H137 | sing | 1.09Å | 1.10Å | |
| C75 | H138 | sing | 1.09Å | 1.10Å | |
| N30 | C76 | sing | 1.37Å | 1.34Å | |
| N30 | H139 | sing | 0.97Å | 1.00Å | |
| C76 | N31 | sing | 1.33Å | 1.34Å | |
| C76 | N32 | doub | 1.33Å | 1.33Å | |
| N31 | H140 | sing | 0.97Å | 1.00Å | |
| N31 | H141 | sing | 0.97Å | 1.00Å | |
| N32 | H142 | sing | 0.97Å | 1.00Å | |
| N32 | H143 | sing | 0.97Å | 1.00Å | |
| N33 | C77 | sing | 1.45Å | 1.45Å | |
| N33 | H144 | sing | 0.99Å | 1.00Å | |
| C77 | C78 | sing | 1.50Å | 1.53Å | |
| C77 | C79 | sing | 1.52Å | 1.53Å | |
| C77 | H145 | sing | 1.12Å | 1.10Å | |
| C78 | O18 | doub | 1.23Å | 1.23Å | |
| C79 | C80 | sing | 1.53Å | 1.51Å | |
| C79 | H146 | sing | 1.09Å | 1.10Å | |
| C79 | H147 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.53Å | 1.51Å | |
| C80 | H148 | sing | 1.09Å | 1.10Å | |
| C80 | H149 | sing | 1.09Å | 1.10Å | |
| C81 | N34 | sing | 1.46Å | 1.48Å | |
| C81 | H150 | sing | 1.09Å | 1.10Å | |
| C81 | H151 | sing | 1.09Å | 1.10Å | |
| N34 | C82 | sing | 1.37Å | 1.34Å | |
| N34 | H152 | sing | 0.97Å | 1.00Å | |
| C82 | N35 | sing | 1.33Å | 1.33Å | |
| C82 | N36 | doub | 1.33Å | 1.33Å | |
| N35 | H153 | sing | 0.97Å | 1.00Å | |
| N35 | H154 | sing | 0.97Å | 1.00Å | |
| N36 | H155 | sing | 0.97Å | 1.00Å | |
| N36 | H156 | sing | 0.97Å | 1.00Å | |
| N1 | C78 | sing | 1.34Å | 1.31Å | |
| C2 | N2 | sing | 1.35Å | 1.31Å | |
| C4 | N3 | sing | 1.35Å | 1.30Å | |
| C9 | N4 | sing | 1.34Å | 1.30Å | |
| S1 | S2 | sing | 2.05Å | 2.04Å | |
| C12 | N8 | sing | 1.35Å | 1.30Å | |
| C18 | N9 | sing | 1.35Å | 1.29Å | |
| C22 | N10 | sing | 1.34Å | 1.28Å | |
| C27 | N11 | sing | 1.35Å | 1.30Å | |
| C31 | N15 | sing | 1.35Å | 1.33Å | |
| C37 | N19 | sing | 1.34Å | 1.31Å | |
| C43 | N20 | sing | 1.35Å | 1.33Å | |
| C45 | N21 | sing | 1.35Å | 1.30Å | |
| C50 | N22 | sing | 1.34Å | 1.29Å | |
| C54 | N26 | sing | 1.35Å | 1.30Å | |
| C60 | N27 | sing | 1.35Å | 1.30Å | |
| C64 | N28 | sing | 1.34Å | 1.30Å | |
| C69 | N29 | sing | 1.35Å | 1.30Å | |
| C72 | N33 | sing | 1.34Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.2° | 117.8° |
| N1 | C1 | C2 | 112.5° | 109.6° |
| N1 | C1 | H2 | 108.7° | 109.7° |
| N1 | C1 | H3 | 108.7° | 110.2° |
| C1 | N1 | C78 | 121.6° | 124.3° |
| H1 | N1 | C78 | 119.2° | 117.9° |
| C2 | C1 | H2 | 108.7° | 108.9° |
| C2 | C1 | H3 | 108.7° | 108.5° |
| C1 | C2 | O1 | 120.8° | 119.8° |
| C1 | C2 | N2 | 116.7° | 120.1° |
| H2 | C1 | H3 | 109.5° | 109.8° |
| O1 | C2 | N2 | 122.5° | 120.1° |
| C3 | N2 | H4 | 119.2° | 120.4° |
| N2 | C3 | C4 | 109.2° | 111.1° |
| N2 | C3 | C5 | 112.0° | 109.9° |
| N2 | C3 | H5 | 109.6° | 108.9° |
| C3 | N2 | C2 | 121.6° | 119.2° |
| H4 | N2 | C2 | 119.2° | 120.4° |
| C4 | C3 | C5 | 109.2° | 109.7° |
| C4 | C3 | H5 | 108.6° | 108.4° |
| C3 | C4 | O2 | 120.6° | 119.2° |
| C3 | C4 | N3 | 116.5° | 120.9° |
| C5 | C3 | H5 | 108.1° | 108.8° |
| C3 | C5 | C6 | 111.2° | 109.5° |
| C3 | C5 | C7 | 110.9° | 109.5° |
| C3 | C5 | H6 | 107.8° | 109.5° |
| O2 | C4 | N3 | 122.9° | 119.9° |
| C6 | C5 | C7 | 110.3° | 109.5° |
| C6 | C5 | H6 | 108.2° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.4° | 109.5° |
| C7 | C5 | H6 | 108.3° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.4° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N3 | H13 | 119.3° | 118.5° |
| N3 | C8 | C9 | 109.9° | 110.4° |
| N3 | C8 | C10 | 111.8° | 111.2° |
| N3 | C8 | H14 | 108.5° | 108.6° |
| C8 | N3 | C4 | 121.4° | 122.6° |
| H13 | N3 | C4 | 119.3° | 118.9° |
| C9 | C8 | C10 | 111.5° | 109.8° |
| C9 | C8 | H14 | 107.6° | 108.2° |
| C8 | C9 | O3 | 121.6° | 118.5° |
| C8 | C9 | N4 | 115.2° | 120.5° |
| C10 | C8 | H14 | 107.4° | 108.6° |
| C8 | C10 | S1 | 114.4° | 110.3° |
| C8 | C10 | H15 | 108.2° | 109.8° |
| C8 | C10 | H16 | 108.2° | 109.0° |
| O3 | C9 | N4 | 123.1° | 121.0° |
| S1 | C10 | H15 | 108.2° | 109.9° |
| S1 | C10 | H16 | 108.2° | 109.2° |
| C10 | S1 | S2 | 104.1° | 103.1° |
| H15 | C10 | H16 | 109.5° | 108.6° |
| C11 | N4 | H17 | 119.1° | 118.1° |
| N4 | C11 | C12 | 109.1° | 112.5° |
| N4 | C11 | C13 | 110.9° | 110.5° |
| N4 | C11 | H18 | 109.4° | 108.2° |
| C11 | N4 | C9 | 121.9° | 123.3° |
| H17 | N4 | C9 | 119.1° | 118.6° |
| C12 | C11 | C13 | 111.0° | 109.8° |
| C12 | C11 | H18 | 108.3° | 107.6° |
| C11 | C12 | O4 | 120.8° | 120.7° |
| C11 | C12 | N8 | 115.8° | 118.8° |
| C13 | C11 | H18 | 108.0° | 108.2° |
| C11 | C13 | C14 | 114.5° | 109.5° |
| C11 | C13 | H19 | 108.2° | 109.4° |
| C11 | C13 | H20 | 108.2° | 109.5° |
| O4 | C12 | N8 | 123.3° | 120.5° |
| C14 | C13 | H19 | 108.2° | 109.5° |
| C14 | C13 | H20 | 108.2° | 109.5° |
| C13 | C14 | C15 | 112.0° | 109.5° |
| C13 | C14 | H21 | 108.8° | 109.5° |
| C13 | C14 | H22 | 108.8° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.4° |
| C15 | C14 | H21 | 108.9° | 109.5° |
| C15 | C14 | H22 | 108.8° | 109.5° |
| C14 | C15 | N5 | 112.6° | 109.5° |
| C14 | C15 | H23 | 108.7° | 109.5° |
| C14 | C15 | H24 | 108.7° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| N5 | C15 | H23 | 108.7° | 109.4° |
| N5 | C15 | H24 | 108.7° | 109.5° |
| C15 | N5 | C16 | 125.5° | 120.0° |
| C15 | N5 | H25 | 117.3° | 120.0° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| C16 | N5 | H25 | 117.3° | 120.0° |
| N5 | C16 | N6 | 120.8° | 120.0° |
| N5 | C16 | N7 | 119.9° | 120.0° |
| N6 | C16 | N7 | 119.3° | 120.0° |
| C16 | N6 | H26 | 120.0° | 120.1° |
| C16 | N6 | H27 | 120.0° | 120.0° |
| C16 | N7 | H28 | 120.0° | 120.0° |
| C16 | N7 | H29 | 120.0° | 120.0° |
| H26 | N6 | H27 | 120.0° | 119.9° |
| H28 | N7 | H29 | 120.0° | 120.0° |
| C17 | N8 | H30 | 119.1° | 119.7° |
| N8 | C17 | C18 | 109.2° | 109.2° |
| N8 | C17 | C19 | 110.9° | 109.6° |
| N8 | C17 | H31 | 109.4° | 110.0° |
| C17 | N8 | C12 | 121.8° | 121.7° |
| H30 | N8 | C12 | 119.1° | 118.6° |
| C18 | C17 | C19 | 111.1° | 109.2° |
| C18 | C17 | H31 | 108.2° | 109.3° |
| C17 | C18 | O5 | 121.2° | 119.6° |
| C17 | C18 | N9 | 115.4° | 120.2° |
| C19 | C17 | H31 | 108.0° | 109.5° |
| C17 | C19 | C20 | 113.7° | 109.5° |
| C17 | C19 | H32 | 108.4° | 109.5° |
| C17 | C19 | H33 | 108.4° | 109.5° |
| O5 | C18 | N9 | 123.4° | 120.2° |
| C20 | C19 | H32 | 108.4° | 109.4° |
| C20 | C19 | H33 | 108.4° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C19 | C20 | H35 | 109.5° | 109.4° |
| C19 | C20 | H36 | 109.5° | 109.4° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.4° | 109.5° |
| H34 | C20 | H36 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| C21 | N9 | H37 | 118.7° | 119.2° |
| N9 | C21 | C22 | 106.8° | 109.8° |
| N9 | C21 | C23 | 111.2° | 109.8° |
| N9 | C21 | H38 | 111.0° | 109.2° |
| C21 | N9 | C18 | 122.6° | 120.6° |
| H37 | N9 | C18 | 118.7° | 120.2° |
| C22 | C21 | C23 | 108.4° | 110.4° |
| C22 | C21 | H38 | 109.9° | 108.9° |
| C21 | C22 | O6 | 120.1° | 119.0° |
| C21 | C22 | N10 | 117.3° | 121.4° |
| C23 | C21 | H38 | 109.4° | 108.8° |
| C21 | C23 | C24 | 112.0° | 109.4° |
| C21 | C23 | C25 | 112.1° | 109.5° |
| C21 | C23 | H39 | 106.8° | 109.5° |
| O6 | C22 | N10 | 122.6° | 119.6° |
| C24 | C23 | C25 | 111.3° | 109.4° |
| C24 | C23 | H39 | 107.2° | 109.5° |
| C23 | C24 | H40 | 109.5° | 109.5° |
| C23 | C24 | H41 | 109.5° | 109.5° |
| C23 | C24 | H42 | 109.4° | 109.5° |
| C25 | C23 | H39 | 107.2° | 109.5° |
| C23 | C25 | H43 | 109.5° | 109.5° |
| C23 | C25 | H44 | 109.5° | 109.5° |
| C23 | C25 | H45 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.5° |
| H40 | C24 | H42 | 109.5° | 109.5° |
| H41 | C24 | H42 | 109.5° | 109.5° |
| H43 | C25 | H44 | 109.5° | 109.4° |
| H43 | C25 | H45 | 109.5° | 109.4° |
| H44 | C25 | H45 | 109.5° | 109.5° |
| C26 | N10 | H46 | 119.5° | 118.7° |
| N10 | C26 | C27 | 109.2° | 109.4° |
| N10 | C26 | C28 | 111.5° | 109.5° |
| N10 | C26 | H47 | 109.1° | 109.6° |
| C26 | N10 | C22 | 120.9° | 120.1° |
| H46 | N10 | C22 | 119.6° | 121.2° |
| C27 | C26 | C28 | 111.0° | 109.2° |
| C27 | C26 | H47 | 108.1° | 109.5° |
| C26 | C27 | O7 | 120.3° | 119.8° |
| C26 | C27 | N11 | 116.7° | 119.9° |
| C28 | C26 | H47 | 107.8° | 109.7° |
| C26 | C28 | C29 | 113.7° | 109.5° |
| C26 | C28 | H48 | 108.4° | 109.5° |
| C26 | C28 | H49 | 108.4° | 109.5° |
| O7 | C27 | N11 | 122.9° | 120.3° |
| C29 | C28 | H48 | 108.4° | 109.4° |
| C29 | C28 | H49 | 108.4° | 109.5° |
| C28 | C29 | H50 | 109.5° | 109.4° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.5° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.4° | 109.4° |
| H50 | C29 | H52 | 109.4° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.5° |
| C30 | N11 | H53 | 119.5° | 120.1° |
| N11 | C30 | C31 | 109.0° | 109.6° |
| N11 | C30 | C32 | 110.8° | 109.5° |
| N11 | C30 | H54 | 109.3° | 109.7° |
| C30 | N11 | C27 | 121.0° | 120.3° |
| H53 | N11 | C27 | 119.5° | 119.6° |
| C31 | C30 | C32 | 111.3° | 109.3° |
| C31 | C30 | H54 | 108.2° | 109.3° |
| C30 | C31 | O8 | 121.1° | 120.0° |
| C30 | C31 | N15 | 114.7° | 119.7° |
| C32 | C30 | H54 | 108.2° | 109.6° |
| C30 | C32 | C33 | 113.7° | 109.4° |
| C30 | C32 | H55 | 108.4° | 109.5° |
| C30 | C32 | H56 | 108.4° | 109.5° |
| O8 | C31 | N15 | 124.1° | 120.3° |
| C33 | C32 | H55 | 108.4° | 109.5° |
| C33 | C32 | H56 | 108.4° | 109.4° |
| C32 | C33 | C34 | 111.3° | 109.5° |
| C32 | C33 | H57 | 109.0° | 109.5° |
| C32 | C33 | H58 | 109.0° | 109.5° |
| H55 | C32 | H56 | 109.4° | 109.5° |
| C34 | C33 | H57 | 109.0° | 109.5° |
| C34 | C33 | H58 | 109.0° | 109.5° |
| C33 | C34 | N12 | 111.9° | 109.4° |
| C33 | C34 | H59 | 108.9° | 109.5° |
| C33 | C34 | H60 | 108.9° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.4° |
| N12 | C34 | H59 | 108.9° | 109.4° |
| N12 | C34 | H60 | 108.8° | 109.4° |
| C34 | N12 | C35 | 125.3° | 120.0° |
| C34 | N12 | H61 | 117.4° | 120.0° |
| H59 | C34 | H60 | 109.5° | 109.5° |
| C35 | N12 | H61 | 117.4° | 120.0° |
| N12 | C35 | N13 | 120.7° | 120.0° |
| N12 | C35 | N14 | 119.6° | 120.0° |
| N13 | C35 | N14 | 119.7° | 120.0° |
| C35 | N13 | H62 | 120.0° | 120.0° |
| C35 | N13 | H63 | 120.0° | 120.0° |
| C35 | N14 | H64 | 120.0° | 120.0° |
| C35 | N14 | H65 | 120.0° | 120.0° |
| H62 | N13 | H63 | 120.0° | 120.0° |
| H64 | N14 | H65 | 120.0° | 120.0° |
| C36 | N15 | H66 | 117.8° | 119.5° |
| N15 | C36 | C37 | 111.4° | 109.1° |
| N15 | C36 | C38 | 111.3° | 109.6° |
| N15 | C36 | H67 | 107.7° | 109.9° |
| C36 | N15 | C31 | 124.5° | 120.5° |
| H66 | N15 | C31 | 117.7° | 120.0° |
| C37 | C36 | C38 | 112.3° | 109.4° |
| C37 | C36 | H67 | 107.0° | 109.3° |
| C36 | C37 | O9 | 121.9° | 119.8° |
| C36 | C37 | N19 | 115.5° | 120.0° |
| C38 | C36 | H67 | 106.9° | 109.5° |
| C36 | C38 | C39 | 114.4° | 109.5° |
| C36 | C38 | H68 | 108.2° | 109.5° |
| C36 | C38 | H69 | 108.2° | 109.5° |
| O9 | C37 | N19 | 122.6° | 120.2° |
| C39 | C38 | H68 | 108.2° | 109.5° |
| C39 | C38 | H69 | 108.2° | 109.5° |
| C38 | C39 | C40 | 111.4° | 109.5° |
| C38 | C39 | H70 | 109.0° | 109.5° |
| C38 | C39 | H71 | 109.0° | 109.5° |
| H68 | C38 | H69 | 109.5° | 109.4° |
| C40 | C39 | H70 | 109.0° | 109.5° |
| C40 | C39 | H71 | 109.0° | 109.5° |
| C39 | C40 | N16 | 111.8° | 109.5° |
| C39 | C40 | H72 | 108.9° | 109.5° |
| C39 | C40 | H73 | 108.9° | 109.5° |
| H70 | C39 | H71 | 109.5° | 109.5° |
| N16 | C40 | H72 | 108.9° | 109.5° |
| N16 | C40 | H73 | 108.9° | 109.4° |
| C40 | N16 | C41 | 125.7° | 120.0° |
| C40 | N16 | H74 | 117.1° | 120.0° |
| H72 | C40 | H73 | 109.4° | 109.4° |
| C41 | N16 | H74 | 117.2° | 120.0° |
| N16 | C41 | N17 | 120.7° | 120.0° |
| N16 | C41 | N18 | 119.2° | 120.0° |
| N17 | C41 | N18 | 120.0° | 120.0° |
| C41 | N17 | H75 | 120.0° | 120.1° |
| C41 | N17 | H76 | 120.0° | 120.0° |
| C41 | N18 | H77 | 120.0° | 120.0° |
| C41 | N18 | H78 | 120.0° | 120.0° |
| H75 | N17 | H76 | 120.0° | 119.9° |
| H77 | N18 | H78 | 120.0° | 120.0° |
| C42 | N19 | H79 | 119.7° | 119.9° |
| N19 | C42 | C43 | 112.1° | 109.5° |
| N19 | C42 | H80 | 108.8° | 109.4° |
| N19 | C42 | H81 | 108.8° | 109.7° |
| C42 | N19 | C37 | 120.7° | 120.4° |
| H79 | N19 | C37 | 119.6° | 119.7° |
| C43 | C42 | H80 | 108.8° | 109.4° |
| C43 | C42 | H81 | 108.8° | 109.4° |
| C42 | C43 | O10 | 120.5° | 120.1° |
| C42 | C43 | N20 | 116.2° | 119.3° |
| H80 | C42 | H81 | 109.5° | 109.5° |
| O10 | C43 | N20 | 123.2° | 120.6° |
| C44 | N20 | H82 | 118.9° | 119.9° |
| N20 | C44 | C45 | 109.5° | 109.5° |
| N20 | C44 | C46 | 111.8° | 109.8° |
| N20 | C44 | H83 | 109.3° | 109.5° |
| C44 | N20 | C43 | 122.2° | 120.5° |
| H82 | N20 | C43 | 118.9° | 119.6° |
| C45 | C44 | C46 | 109.8° | 109.4° |
| C45 | C44 | H83 | 108.4° | 109.1° |
| C44 | C45 | O11 | 121.1° | 120.1° |
| C44 | C45 | N21 | 115.5° | 118.9° |
| C46 | C44 | H83 | 108.0° | 109.6° |
| C44 | C46 | C47 | 111.5° | 109.5° |
| C44 | C46 | C48 | 110.7° | 109.4° |
| C44 | C46 | H84 | 107.8° | 109.4° |
| O11 | C45 | N21 | 123.4° | 120.9° |
| C47 | C46 | C48 | 110.2° | 109.5° |
| C47 | C46 | H84 | 108.2° | 109.4° |
| C46 | C47 | H85 | 109.5° | 109.5° |
| C46 | C47 | H86 | 109.5° | 109.4° |
| C46 | C47 | H87 | 109.4° | 109.5° |
| C48 | C46 | H84 | 108.3° | 109.5° |
| C46 | C48 | H88 | 109.5° | 109.5° |
| C46 | C48 | H89 | 109.5° | 109.4° |
| C46 | C48 | H90 | 109.4° | 109.5° |
| H85 | C47 | H86 | 109.4° | 109.5° |
| H85 | C47 | H87 | 109.5° | 109.4° |
| H86 | C47 | H87 | 109.5° | 109.5° |
| H88 | C48 | H89 | 109.5° | 109.5° |
| H88 | C48 | H90 | 109.5° | 109.5° |
| H89 | C48 | H90 | 109.5° | 109.4° |
| C49 | N21 | H91 | 118.6° | 119.9° |
| N21 | C49 | C50 | 109.4° | 109.5° |
| N21 | C49 | C51 | 109.8° | 109.4° |
| N21 | C49 | H92 | 109.7° | 109.8° |
| C49 | N21 | C45 | 122.9° | 120.7° |
| H91 | N21 | C45 | 118.5° | 119.3° |
| C50 | C49 | C51 | 111.0° | 109.1° |
| C50 | C49 | H92 | 108.5° | 109.5° |
| C49 | C50 | O12 | 120.9° | 119.9° |
| C49 | C50 | N22 | 115.8° | 119.7° |
| C51 | C49 | H92 | 108.4° | 109.5° |
| C49 | C51 | C52 | 114.6° | 109.4° |
| C49 | C51 | H93 | 108.2° | 109.5° |
| C49 | C51 | H94 | 108.2° | 109.5° |
| O12 | C50 | N22 | 123.2° | 120.4° |
| C52 | C51 | H93 | 108.2° | 109.5° |
| C52 | C51 | H94 | 108.2° | 109.5° |
| C51 | C52 | H95 | 109.5° | 109.4° |
| C51 | C52 | H96 | 109.5° | 109.5° |
| C51 | C52 | H97 | 109.4° | 109.4° |
| H93 | C51 | H94 | 109.4° | 109.5° |
| H95 | C52 | H96 | 109.5° | 109.5° |
| H95 | C52 | H97 | 109.5° | 109.5° |
| H96 | C52 | H97 | 109.5° | 109.5° |
| C53 | N22 | H98 | 118.5° | 119.3° |
| N22 | C53 | C54 | 107.8° | 109.1° |
| N22 | C53 | C55 | 109.1° | 109.4° |
| N22 | C53 | H99 | 110.7° | 110.0° |
| C53 | N22 | C50 | 123.0° | 121.0° |
| H98 | N22 | C50 | 118.5° | 119.7° |
| C54 | C53 | C55 | 110.5° | 109.3° |
| C54 | C53 | H99 | 109.5° | 109.5° |
| C53 | C54 | O13 | 120.7° | 119.6° |
| C53 | C54 | N26 | 116.3° | 120.1° |
| C55 | C53 | H99 | 109.3° | 109.5° |
| C53 | C55 | C56 | 115.4° | 109.5° |
| C53 | C55 | H100 | 108.0° | 109.5° |
| C53 | C55 | H101 | 108.0° | 109.5° |
| O13 | C54 | N26 | 122.9° | 120.3° |
| C56 | C55 | H100 | 108.0° | 109.5° |
| C56 | C55 | H101 | 108.0° | 109.4° |
| C55 | C56 | C57 | 111.0° | 109.5° |
| C55 | C56 | H102 | 109.1° | 109.4° |
| C55 | C56 | H103 | 109.1° | 109.4° |
| H100 | C55 | H101 | 109.4° | 109.5° |
| C57 | C56 | H102 | 109.1° | 109.5° |
| C57 | C56 | H103 | 109.1° | 109.5° |
| C56 | C57 | N23 | 111.9° | 109.4° |
| C56 | C57 | H104 | 108.9° | 109.5° |
| C56 | C57 | H105 | 108.9° | 109.5° |
| H102 | C56 | H103 | 109.5° | 109.5° |
| N23 | C57 | H104 | 108.9° | 109.5° |
| N23 | C57 | H105 | 108.9° | 109.5° |
| C57 | N23 | C58 | 125.1° | 120.0° |
| C57 | N23 | H106 | 117.5° | 120.0° |
| H104 | C57 | H105 | 109.4° | 109.5° |
| C58 | N23 | H106 | 117.5° | 120.0° |
| N23 | C58 | N24 | 120.2° | 120.0° |
| N23 | C58 | N25 | 120.1° | 120.0° |
| N24 | C58 | N25 | 119.7° | 120.0° |
| C58 | N24 | H107 | 120.0° | 120.1° |
| C58 | N24 | H108 | 120.0° | 120.0° |
| C58 | N25 | H109 | 120.0° | 120.0° |
| C58 | N25 | H110 | 120.0° | 120.0° |
| H107 | N24 | H108 | 120.0° | 119.9° |
| H109 | N25 | H110 | 120.0° | 120.0° |
| C59 | N26 | H111 | 119.3° | 119.9° |
| N26 | C59 | C60 | 109.6° | 109.8° |
| N26 | C59 | C61 | 110.6° | 109.3° |
| N26 | C59 | H112 | 109.2° | 109.8° |
| C59 | N26 | C54 | 121.6° | 120.7° |
| H111 | N26 | C54 | 119.2° | 119.4° |
| C60 | C59 | C61 | 111.1° | 109.1° |
| C60 | C59 | H112 | 108.3° | 109.3° |
| C59 | C60 | O14 | 121.1° | 119.9° |
| C59 | C60 | N27 | 116.2° | 119.4° |
| C61 | C59 | H112 | 108.0° | 109.5° |
| C59 | C61 | C62 | 114.2° | 109.5° |
| C59 | C61 | H113 | 108.3° | 109.5° |
| C59 | C61 | H114 | 108.3° | 109.4° |
| O14 | C60 | N27 | 122.6° | 120.7° |
| C62 | C61 | H113 | 108.3° | 109.5° |
| C62 | C61 | H114 | 108.3° | 109.5° |
| C61 | C62 | H115 | 109.5° | 109.5° |
| C61 | C62 | H116 | 109.5° | 109.5° |
| C61 | C62 | H117 | 109.5° | 109.4° |
| H113 | C61 | H114 | 109.4° | 109.4° |
| H115 | C62 | H116 | 109.5° | 109.5° |
| H115 | C62 | H117 | 109.5° | 109.5° |
| H116 | C62 | H117 | 109.5° | 109.5° |
| C63 | N27 | H118 | 119.5° | 119.2° |
| N27 | C63 | C64 | 111.4° | 109.3° |
| N27 | C63 | C65 | 113.3° | 109.2° |
| N27 | C63 | H119 | 107.7° | 108.9° |
| C63 | N27 | C60 | 121.0° | 120.9° |
| H118 | N27 | C60 | 119.5° | 119.9° |
| C64 | C63 | C65 | 111.1° | 111.6° |
| C64 | C63 | H119 | 106.7° | 108.7° |
| C63 | C64 | O15 | 121.2° | 117.7° |
| C63 | C64 | N28 | 115.7° | 123.5° |
| C65 | C63 | H119 | 106.2° | 109.1° |
| C63 | C65 | C66 | 110.5° | 109.5° |
| C63 | C65 | C67 | 112.0° | 109.5° |
| C63 | C65 | H120 | 107.8° | 109.5° |
| O15 | C64 | N28 | 123.0° | 118.8° |
| C66 | C65 | C67 | 109.8° | 109.5° |
| C66 | C65 | H120 | 108.4° | 109.4° |
| C65 | C66 | H121 | 109.5° | 109.4° |
| C65 | C66 | H122 | 109.5° | 109.5° |
| C65 | C66 | H123 | 109.5° | 109.5° |
| C67 | C65 | H120 | 108.3° | 109.4° |
| C65 | C67 | H124 | 109.5° | 109.4° |
| C65 | C67 | H125 | 109.5° | 109.5° |
| C65 | C67 | H126 | 109.4° | 109.4° |
| H121 | C66 | H122 | 109.4° | 109.5° |
| H121 | C66 | H123 | 109.5° | 109.5° |
| H122 | C66 | H123 | 109.5° | 109.5° |
| H124 | C67 | H125 | 109.5° | 109.5° |
| H124 | C67 | H126 | 109.5° | 109.5° |
| H125 | C67 | H126 | 109.5° | 109.5° |
| C68 | N28 | H127 | 119.0° | 117.3° |
| N28 | C68 | C69 | 108.6° | 109.3° |
| N28 | C68 | C70 | 111.9° | 110.2° |
| N28 | C68 | H128 | 108.9° | 108.6° |
| C68 | N28 | C64 | 121.9° | 120.1° |
| H127 | N28 | C64 | 119.0° | 122.6° |
| C69 | C68 | C70 | 111.5° | 110.2° |
| C69 | C68 | H128 | 108.1° | 109.1° |
| C68 | C69 | O16 | 121.4° | 119.8° |
| C68 | C69 | N29 | 115.5° | 120.5° |
| C70 | C68 | H128 | 107.7° | 109.4° |
| C68 | C70 | S2 | 114.3° | 109.6° |
| C68 | C70 | H129 | 108.3° | 109.6° |
| C68 | C70 | H130 | 108.3° | 109.9° |
| O16 | C69 | N29 | 123.1° | 119.7° |
| S2 | C70 | H129 | 108.2° | 109.0° |
| S2 | C70 | H130 | 108.2° | 109.4° |
| C70 | S2 | S1 | 103.7° | 103.2° |
| H129 | C70 | H130 | 109.5° | 109.3° |
| C71 | N29 | H131 | 119.2° | 119.8° |
| N29 | C71 | C72 | 111.0° | 109.7° |
| N29 | C71 | C73 | 111.2° | 109.5° |
| N29 | C71 | H132 | 108.4° | 110.2° |
| C71 | N29 | C69 | 121.7° | 120.6° |
| H131 | N29 | C69 | 119.2° | 119.6° |
| C72 | C71 | C73 | 112.0° | 108.4° |
| C72 | C71 | H132 | 107.2° | 109.4° |
| C71 | C72 | O17 | 121.4° | 117.9° |
| C71 | C72 | N33 | 114.5° | 118.7° |
| C73 | C71 | H132 | 106.9° | 109.5° |
| C71 | C73 | C74 | 115.4° | 109.5° |
| C71 | C73 | H133 | 108.0° | 109.5° |
| C71 | C73 | H134 | 107.9° | 109.5° |
| O17 | C72 | N33 | 123.9° | 123.4° |
| C74 | C73 | H133 | 107.9° | 109.5° |
| C74 | C73 | H134 | 108.0° | 109.4° |
| C73 | C74 | C75 | 110.3° | 109.5° |
| C73 | C74 | H135 | 109.3° | 109.5° |
| C73 | C74 | H136 | 109.3° | 109.4° |
| H133 | C73 | H134 | 109.5° | 109.4° |
| C75 | C74 | H135 | 109.2° | 109.5° |
| C75 | C74 | H136 | 109.2° | 109.4° |
| C74 | C75 | N30 | 112.6° | 109.5° |
| C74 | C75 | H137 | 108.7° | 109.5° |
| C74 | C75 | H138 | 108.7° | 109.5° |
| H135 | C74 | H136 | 109.5° | 109.5° |
| N30 | C75 | H137 | 108.7° | 109.4° |
| N30 | C75 | H138 | 108.7° | 109.5° |
| C75 | N30 | C76 | 124.6° | 120.0° |
| C75 | N30 | H139 | 117.7° | 120.0° |
| H137 | C75 | H138 | 109.5° | 109.5° |
| C76 | N30 | H139 | 117.6° | 120.0° |
| N30 | C76 | N31 | 120.1° | 120.0° |
| N30 | C76 | N32 | 120.2° | 120.0° |
| N31 | C76 | N32 | 119.6° | 120.0° |
| C76 | N31 | H140 | 120.0° | 120.0° |
| C76 | N31 | H141 | 120.0° | 120.0° |
| C76 | N32 | H142 | 120.0° | 120.0° |
| C76 | N32 | H143 | 120.0° | 120.0° |
| H140 | N31 | H141 | 120.0° | 120.0° |
| H142 | N32 | H143 | 120.0° | 120.0° |
| C77 | N33 | H144 | 117.7° | 116.2° |
| N33 | C77 | C78 | 110.2° | 111.8° |
| N33 | C77 | C79 | 110.1° | 113.7° |
| N33 | C77 | H145 | 108.9° | 106.6° |
| C77 | N33 | C72 | 124.7° | 128.3° |
| H144 | N33 | C72 | 117.6° | 115.5° |
| C78 | C77 | C79 | 111.8° | 111.6° |
| C78 | C77 | H145 | 107.9° | 106.2° |
| C77 | C78 | O18 | 121.7° | 117.8° |
| C77 | C78 | N1 | 115.6° | 124.4° |
| C79 | C77 | H145 | 107.8° | 106.3° |
| C77 | C79 | C80 | 114.9° | 109.5° |
| C77 | C79 | H146 | 108.1° | 109.5° |
| C77 | C79 | H147 | 108.1° | 109.5° |
| O18 | C78 | N1 | 122.7° | 117.7° |
| C80 | C79 | H146 | 108.1° | 109.4° |
| C80 | C79 | H147 | 108.1° | 109.4° |
| C79 | C80 | C81 | 110.5° | 109.5° |
| C79 | C80 | H148 | 109.2° | 109.5° |
| C79 | C80 | H149 | 109.2° | 109.4° |
| H146 | C79 | H147 | 109.4° | 109.5° |
| C81 | C80 | H148 | 109.2° | 109.5° |
| C81 | C80 | H149 | 109.2° | 109.5° |
| C80 | C81 | N34 | 112.2° | 109.5° |
| C80 | C81 | H150 | 108.8° | 109.5° |
| C80 | C81 | H151 | 108.8° | 109.5° |
| H148 | C80 | H149 | 109.5° | 109.4° |
| N34 | C81 | H150 | 108.8° | 109.5° |
| N34 | C81 | H151 | 108.8° | 109.5° |
| C81 | N34 | C82 | 124.9° | 120.0° |
| C81 | N34 | H152 | 117.6° | 120.0° |
| H150 | C81 | H151 | 109.5° | 109.5° |
| C82 | N34 | H152 | 117.6° | 120.0° |
| N34 | C82 | N35 | 120.1° | 120.0° |
| N34 | C82 | N36 | 120.0° | 120.0° |
| N35 | C82 | N36 | 119.9° | 120.0° |
| C82 | N35 | H153 | 120.0° | 119.9° |
| C82 | N35 | H154 | 120.0° | 120.0° |
| C82 | N36 | H155 | 120.0° | 120.0° |
| C82 | N36 | H156 | 120.0° | 120.0° |
| H153 | N35 | H154 | 120.0° | 120.0° |
| H155 | N36 | H156 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C78 | 180.0° | 179.4° |
| N1 | C1 | C2 | H2 | 120.4° | 120.1° |
| N1 | C1 | C2 | H3 | 120.5° | 120.4° |
| N1 | C1 | H2 | H3 | 118.6° | 121.3° |
| N1 | C1 | C2 | O1 | 170.1° | 0.1° |
| C1 | N1 | C78 | C77 | 179.8° | 5.5° |
| C1 | N1 | C78 | O18 | 1.2° | 173.8° |
| N1 | C1 | C2 | N2 | 9.8° | 180.0° |
| H1 | N1 | C1 | C2 | 87.8° | 36.3° |
| H1 | N1 | C1 | H2 | 32.6° | 83.3° |
| H1 | N1 | C1 | H3 | 151.7° | 155.7° |
| H1 | N1 | C78 | C77 | 0.2° | 173.9° |
| H1 | N1 | C78 | O18 | 178.7° | 6.8° |
| C2 | C1 | H2 | H3 | 118.6° | 118.7° |
| C1 | C2 | O1 | N2 | 180.0° | 180.0° |
| C1 | C2 | N2 | C3 | 178.9° | 177.7° |
| C1 | C2 | N2 | H4 | 1.1° | 2.6° |
| C2 | C1 | N1 | C78 | 92.2° | 144.3° |
| H2 | C1 | C2 | O1 | 49.7° | 120.0° |
| H2 | C1 | N1 | C78 | 147.4° | 96.1° |
| H2 | C1 | C2 | N2 | 130.3° | 59.9° |
| H3 | C1 | C2 | O1 | 69.4° | 120.5° |
| H3 | C1 | N1 | C78 | 28.3° | 24.9° |
| H3 | C1 | C2 | N2 | 110.6° | 59.5° |
| O1 | C2 | N2 | C3 | 1.1° | 2.3° |
| O1 | C2 | N2 | H4 | 178.9° | 177.3° |
| C3 | N2 | H4 | C2 | 180.0° | 179.6° |
| N2 | C3 | C4 | C5 | 122.8° | 121.7° |
| N2 | C3 | C4 | H5 | 119.5° | 119.6° |
| N2 | C3 | C5 | H5 | 120.8° | 119.2° |
| N2 | C3 | C4 | O2 | 63.6° | 120.0° |
| N2 | C3 | C5 | C6 | 177.7° | 173.6° |
| N2 | C3 | C5 | C7 | 54.6° | 53.6° |
| N2 | C3 | C5 | H6 | 63.8° | 66.4° |
| N2 | C3 | C4 | N3 | 113.9° | 60.6° |
| H4 | N2 | C3 | C4 | 81.1° | 30.5° |
| H4 | N2 | C3 | C5 | 40.0° | 91.1° |
| H4 | N2 | C3 | H5 | 160.0° | 149.8° |
| C4 | C3 | C5 | H5 | 118.0° | 118.4° |
| C3 | C4 | O2 | N3 | 177.3° | 179.4° |
| C4 | C3 | C5 | C6 | 61.1° | 64.0° |
| C4 | C3 | C5 | C7 | 175.7° | 176.0° |
| C4 | C3 | C5 | H6 | 57.4° | 56.0° |
| C3 | C4 | N3 | C8 | 176.9° | 179.3° |
| C3 | C4 | N3 | H13 | 3.1° | 1.1° |
| C4 | C3 | N2 | C2 | 98.9° | 149.9° |
| C5 | C3 | C4 | O2 | 59.2° | 118.3° |
| C3 | C5 | C6 | C7 | 123.5° | 120.0° |
| C3 | C5 | C6 | H6 | 118.2° | 120.0° |
| C3 | C5 | C7 | H6 | 118.1° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 67.2° |
| C3 | C5 | C6 | H8 | 60.0° | 172.8° |
| C3 | C5 | C6 | H9 | 60.0° | 52.9° |
| C3 | C5 | C7 | H10 | 180.0° | 65.0° |
| C3 | C5 | C7 | H11 | 60.0° | 175.0° |
| C3 | C5 | C7 | H12 | 60.0° | 55.0° |
| C5 | C3 | N2 | C2 | 140.0° | 88.5° |
| C5 | C3 | C4 | N3 | 123.3° | 61.1° |
| H5 | C3 | C4 | O2 | 176.9° | 0.4° |
| H5 | C3 | C5 | C6 | 56.9° | 54.4° |
| H5 | C3 | C5 | C7 | 66.2° | 65.6° |
| H5 | C3 | C5 | H6 | 175.4° | 174.4° |
| H5 | C3 | N2 | C2 | 20.0° | 30.6° |
| H5 | C3 | C4 | N3 | 5.6° | 179.8° |
| O2 | C4 | N3 | C8 | 5.6° | 0.1° |
| O2 | C4 | N3 | H13 | 174.3° | 179.5° |
| C6 | C5 | C7 | H6 | 118.3° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 56.4° | 175.0° |
| C6 | C5 | C7 | H11 | 63.6° | 55.1° |
| C6 | C5 | C7 | H12 | 176.4° | 65.0° |
| C7 | C5 | C6 | H7 | 56.5° | 52.8° |
| C7 | C5 | C6 | H8 | 176.5° | 67.2° |
| C7 | C5 | C6 | H9 | 63.5° | 172.8° |
| C5 | C7 | H10 | H11 | 120.0° | 119.9° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 61.8° | 172.8° |
| H6 | C5 | C6 | H8 | 58.2° | 52.8° |
| H6 | C5 | C6 | H9 | 178.2° | 67.1° |
| H6 | C5 | C7 | H10 | 61.9° | 55.0° |
| H6 | C5 | C7 | H11 | 178.1° | 65.0° |
| H6 | C5 | C7 | H12 | 58.1° | 175.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.1° |
| C8 | N3 | H13 | C4 | 180.0° | 179.6° |
| N3 | C8 | C9 | C10 | 124.5° | 122.9° |
| N3 | C8 | C9 | H14 | 118.0° | 118.7° |
| N3 | C8 | C10 | H14 | 118.9° | 119.5° |
| N3 | C8 | C9 | O3 | 70.4° | 173.4° |
| N3 | C8 | C10 | S1 | 62.5° | 51.3° |
| N3 | C8 | C10 | H15 | 58.2° | 69.9° |
| N3 | C8 | C10 | H16 | 176.8° | 171.2° |
| N3 | C8 | C9 | N4 | 107.0° | 5.9° |
| H13 | N3 | C8 | C9 | 81.2° | 106.0° |
| H13 | N3 | C8 | C10 | 43.1° | 131.8° |
| H13 | N3 | C8 | H14 | 161.3° | 12.4° |
| C9 | C8 | C10 | H14 | 117.6° | 118.1° |
| C8 | C9 | O3 | N4 | 177.1° | 179.4° |
| C9 | C8 | C10 | S1 | 174.1° | 173.7° |
| C9 | C8 | C10 | H15 | 65.2° | 52.5° |
| C9 | C8 | C10 | H16 | 53.3° | 66.4° |
| C8 | C9 | N4 | C11 | 179.4° | 169.4° |
| C8 | C9 | N4 | H17 | 0.5° | 10.1° |
| C9 | C8 | N3 | C4 | 98.8° | 74.4° |
| C10 | C8 | C9 | O3 | 54.1° | 50.5° |
| C8 | C10 | S1 | H15 | 120.7° | 121.2° |
| C8 | C10 | S1 | H16 | 120.7° | 119.8° |
| C8 | C10 | H15 | H16 | 117.7° | 119.2° |
| C10 | C8 | N3 | C4 | 136.9° | 47.7° |
| C10 | C8 | C9 | N4 | 128.5° | 128.9° |
| C8 | C10 | S1 | S2 | 88.6° | 150.9° |
| H14 | C8 | C9 | O3 | 171.6° | 67.9° |
| H14 | C8 | C10 | S1 | 56.4° | 68.2° |
| H14 | C8 | C10 | H15 | 177.1° | 170.6° |
| H14 | C8 | C10 | H16 | 64.3° | 51.7° |
| H14 | C8 | N3 | C4 | 18.7° | 167.1° |
| H14 | C8 | C9 | N4 | 11.0° | 112.8° |
| O3 | C9 | N4 | C11 | 3.3° | 11.2° |
| O3 | C9 | N4 | H17 | 176.8° | 169.2° |
| S1 | C10 | H15 | H16 | 117.7° | 119.3° |
| C10 | S1 | S2 | C70 | 112.0° | 118.6° |
| H15 | C10 | S1 | S2 | 150.6° | 87.9° |
| H16 | C10 | S1 | S2 | 32.1° | 31.1° |
| C11 | N4 | H17 | C9 | 180.0° | 179.6° |
| N4 | C11 | C12 | C13 | 122.6° | 123.4° |
| N4 | C11 | C12 | H18 | 119.0° | 119.0° |
| N4 | C11 | C13 | H18 | 119.9° | 118.3° |
| N4 | C11 | C12 | O4 | 67.5° | 61.9° |
| N4 | C11 | C13 | C14 | 178.2° | 65.0° |
| N4 | C11 | C13 | H19 | 57.5° | 55.1° |
| N4 | C11 | C13 | H20 | 61.1° | 175.0° |
| N4 | C11 | C12 | N8 | 110.0° | 119.0° |
| H17 | N4 | C11 | C12 | 75.1° | 116.9° |
| H17 | N4 | C11 | C13 | 47.5° | 120.1° |
| H17 | N4 | C11 | H18 | 166.6° | 1.8° |
| C12 | C11 | C13 | H18 | 118.6° | 117.1° |
| C11 | C12 | O4 | N8 | 177.2° | 179.1° |
| C12 | C11 | C13 | C14 | 60.3° | 170.5° |
| C12 | C11 | C13 | H19 | 179.0° | 69.5° |
| C12 | C11 | C13 | H20 | 60.5° | 50.4° |
| C11 | C12 | N8 | C17 | 178.3° | 178.9° |
| C11 | C12 | N8 | H30 | 1.6° | 1.3° |
| C12 | C11 | N4 | C9 | 104.9° | 63.5° |
| C13 | C11 | C12 | O4 | 55.1° | 61.5° |
| C11 | C13 | C14 | H19 | 120.7° | 120.0° |
| C11 | C13 | C14 | H20 | 120.7° | 120.0° |
| C11 | C13 | H19 | H20 | 117.7° | 120.0° |
| C11 | C13 | C14 | C15 | 58.5° | 180.0° |
| C11 | C13 | C14 | H21 | 178.8° | 60.0° |
| C11 | C13 | C14 | H22 | 61.9° | 60.0° |
| C13 | C11 | N4 | C9 | 132.5° | 59.5° |
| C13 | C11 | C12 | N8 | 127.5° | 117.6° |
| H18 | C11 | C12 | O4 | 173.5° | 179.1° |
| H18 | C11 | C13 | C14 | 58.3° | 53.3° |
| H18 | C11 | C13 | H19 | 62.4° | 173.4° |
| H18 | C11 | C13 | H20 | 179.0° | 66.7° |
| H18 | C11 | N4 | C9 | 13.5° | 177.8° |
| H18 | C11 | C12 | N8 | 9.1° | 0.0° |
| O4 | C12 | N8 | C17 | 4.3° | 0.2° |
| O4 | C12 | N8 | H30 | 175.7° | 179.6° |
| C14 | C13 | H19 | H20 | 117.7° | 120.0° |
| C13 | C14 | C15 | H21 | 120.4° | 120.0° |
| C13 | C14 | C15 | H22 | 120.4° | 120.0° |
| C13 | C14 | H21 | H22 | 118.8° | 120.0° |
| C13 | C14 | C15 | N5 | 60.6° | 180.0° |
| C13 | C14 | C15 | H23 | 179.0° | 60.0° |
| C13 | C14 | C15 | H24 | 59.9° | 60.0° |
| H19 | C13 | C14 | C15 | 62.3° | 60.0° |
| H19 | C13 | C14 | H21 | 58.1° | 180.0° |
| H19 | C13 | C14 | H22 | 177.4° | 60.0° |
| H20 | C13 | C14 | C15 | 179.2° | 60.0° |
| H20 | C13 | C14 | H21 | 60.4° | 60.1° |
| H20 | C13 | C14 | H22 | 58.8° | 180.0° |
| C15 | C14 | H21 | H22 | 118.9° | 120.0° |
| C14 | C15 | N5 | H23 | 120.5° | 120.0° |
| C14 | C15 | N5 | H24 | 120.5° | 120.0° |
| C14 | C15 | H23 | H24 | 118.6° | 120.0° |
| C14 | C15 | N5 | C16 | 159.9° | 180.0° |
| C14 | C15 | N5 | H25 | 20.1° | 0.1° |
| H21 | C14 | C15 | N5 | 59.8° | 60.0° |
| H21 | C14 | C15 | H23 | 60.7° | 179.9° |
| H21 | C14 | C15 | H24 | 179.7° | 60.0° |
| H22 | C14 | C15 | N5 | 179.1° | 60.0° |
| H22 | C14 | C15 | H23 | 58.6° | 60.0° |
| H22 | C14 | C15 | H24 | 60.4° | 180.0° |
| N5 | C15 | H23 | H24 | 118.5° | 120.0° |
| C15 | N5 | C16 | H25 | 180.0° | 180.0° |
| C15 | N5 | C16 | N6 | 3.5° | 0.0° |
| C15 | N5 | C16 | N7 | 176.5° | 180.0° |
| H23 | C15 | N5 | C16 | 79.6° | 60.0° |
| H23 | C15 | N5 | H25 | 100.4° | 120.0° |
| H24 | C15 | N5 | C16 | 39.4° | 60.0° |
| H24 | C15 | N5 | H25 | 140.6° | 120.0° |
| N5 | C16 | N6 | N7 | 179.9° | 180.0° |
| N5 | C16 | N6 | H26 | 179.9° | 0.0° |
| N5 | C16 | N6 | H27 | 0.1° | 180.0° |
| N5 | C16 | N7 | H28 | 179.9° | 180.0° |
| N5 | C16 | N7 | H29 | 0.1° | 0.1° |
| H25 | N5 | C16 | N6 | 176.5° | 179.9° |
| H25 | N5 | C16 | N7 | 3.5° | 0.0° |
| C16 | N6 | H26 | H27 | 180.0° | 180.0° |
| N6 | C16 | N7 | H28 | 0.0° | 0.1° |
| N6 | C16 | N7 | H29 | 180.0° | 179.9° |
| N7 | C16 | N6 | H26 | 0.0° | 179.9° |
| N7 | C16 | N6 | H27 | 180.0° | 0.0° |
| C16 | N7 | H28 | H29 | 180.0° | 179.9° |
| C17 | N8 | H30 | C12 | 180.0° | 179.8° |
| N8 | C17 | C18 | C19 | 122.6° | 119.8° |
| N8 | C17 | C18 | H31 | 119.0° | 120.4° |
| N8 | C17 | C19 | H31 | 119.8° | 120.7° |
| N8 | C17 | C18 | O5 | 75.4° | 4.4° |
| N8 | C17 | C19 | C20 | 176.0° | 65.0° |
| N8 | C17 | C19 | H32 | 55.4° | 55.0° |
| N8 | C17 | C19 | H33 | 63.4° | 175.0° |
| N8 | C17 | C18 | N9 | 102.0° | 175.7° |
| H30 | N8 | C17 | C18 | 82.5° | 21.3° |
| H30 | N8 | C17 | C19 | 40.2° | 98.3° |
| H30 | N8 | C17 | H31 | 159.2° | 141.3° |
| C18 | C17 | C19 | H31 | 118.6° | 119.7° |
| C17 | C18 | O5 | N9 | 177.2° | 179.8° |
| C18 | C17 | C19 | C20 | 62.3° | 175.4° |
| C18 | C17 | C19 | H32 | 177.0° | 64.6° |
| C18 | C17 | C19 | H33 | 58.3° | 55.4° |
| C17 | C18 | N9 | C21 | 178.8° | 175.6° |
| C17 | C18 | N9 | H37 | 1.2° | 4.7° |
| C18 | C17 | N8 | C12 | 97.5° | 158.9° |
| C19 | C17 | C18 | O5 | 47.1° | 124.2° |
| C17 | C19 | C20 | H32 | 120.6° | 120.0° |
| C17 | C19 | C20 | H33 | 120.6° | 120.0° |
| C17 | C19 | H32 | H33 | 118.1° | 120.0° |
| C17 | C19 | C20 | H34 | 180.0° | 180.0° |
| C17 | C19 | C20 | H35 | 60.0° | 60.0° |
| C17 | C19 | C20 | H36 | 60.0° | 60.0° |
| C19 | C17 | N8 | C12 | 139.8° | 81.5° |
| C19 | C17 | C18 | N9 | 135.5° | 55.9° |
| H31 | C17 | C18 | O5 | 165.6° | 116.0° |
| H31 | C17 | C19 | C20 | 56.2° | 55.7° |
| H31 | C17 | C19 | H32 | 64.4° | 175.7° |
| H31 | C17 | C19 | H33 | 176.8° | 64.3° |
| H31 | C17 | N8 | C12 | 20.8° | 38.9° |
| H31 | C17 | C18 | N9 | 17.0° | 63.9° |
| O5 | C18 | N9 | C21 | 3.9° | 4.5° |
| O5 | C18 | N9 | H37 | 176.1° | 175.2° |
| C20 | C19 | H32 | H33 | 118.1° | 120.0° |
| C19 | C20 | H34 | H35 | 120.0° | 120.0° |
| C19 | C20 | H34 | H36 | 120.0° | 120.0° |
| C19 | C20 | H35 | H36 | 120.0° | 119.9° |
| H32 | C19 | C20 | H34 | 59.4° | 60.0° |
| H32 | C19 | C20 | H35 | 179.4° | 180.0° |
| H32 | C19 | C20 | H36 | 60.6° | 60.1° |
| H33 | C19 | C20 | H34 | 59.4° | 60.0° |
| H33 | C19 | C20 | H35 | 60.6° | 60.0° |
| H33 | C19 | C20 | H36 | 179.4° | 180.0° |
| H34 | C20 | H35 | H36 | 120.0° | 120.0° |
| C21 | N9 | H37 | C18 | 180.0° | 179.7° |
| N9 | C21 | C22 | C23 | 119.9° | 121.1° |
| N9 | C21 | C22 | H38 | 120.5° | 119.5° |
| N9 | C21 | C23 | H38 | 123.0° | 119.5° |
| N9 | C21 | C22 | O6 | 35.0° | 93.8° |
| N9 | C21 | C23 | C24 | 171.0° | 180.0° |
| N9 | C21 | C23 | C25 | 45.1° | 60.1° |
| N9 | C21 | C23 | H39 | 72.0° | 60.0° |
| N9 | C21 | C22 | N10 | 142.6° | 85.2° |
| H37 | N9 | C21 | C22 | 86.3° | 51.1° |
| H37 | N9 | C21 | C23 | 31.8° | 70.4° |
| H37 | N9 | C21 | H38 | 153.9° | 170.4° |
| C22 | C21 | C23 | H38 | 119.9° | 119.4° |
| C21 | C22 | O6 | N10 | 177.6° | 179.0° |
| C22 | C21 | C23 | C24 | 71.9° | 58.9° |
| C22 | C21 | C23 | C25 | 162.2° | 178.8° |
| C22 | C21 | C23 | H39 | 45.1° | 61.1° |
| C21 | C22 | N10 | C26 | 178.9° | 172.5° |
| C21 | C22 | N10 | H46 | 1.1° | 9.3° |
| C22 | C21 | N9 | C18 | 93.7° | 129.2° |
| C23 | C21 | C22 | O6 | 84.9° | 145.1° |
| C21 | C23 | C24 | C25 | 126.3° | 120.0° |
| C21 | C23 | C24 | H39 | 116.8° | 120.0° |
| C21 | C23 | C25 | H39 | 116.9° | 120.1° |
| C21 | C23 | C24 | H40 | 180.0° | 60.0° |
| C21 | C23 | C24 | H41 | 60.0° | 180.0° |
| C21 | C23 | C24 | H42 | 60.0° | 60.0° |
| C21 | C23 | C25 | H43 | 180.0° | 60.1° |
| C21 | C23 | C25 | H44 | 60.0° | 180.0° |
| C21 | C23 | C25 | H45 | 60.0° | 59.9° |
| C23 | C21 | N9 | C18 | 148.2° | 109.3° |
| C23 | C21 | C22 | N10 | 97.4° | 35.9° |
| H38 | C21 | C22 | O6 | 155.5° | 25.7° |
| H38 | C21 | C23 | C24 | 48.0° | 60.5° |
| H38 | C21 | C23 | C25 | 77.9° | 59.4° |
| H38 | C21 | C23 | H39 | 165.0° | 179.5° |
| H38 | C21 | N9 | C18 | 26.1° | 9.9° |
| H38 | C21 | C22 | N10 | 22.2° | 155.3° |
| O6 | C22 | N10 | C26 | 3.5° | 8.5° |
| O6 | C22 | N10 | H46 | 176.5° | 169.7° |
| C24 | C23 | C25 | H39 | 116.9° | 120.0° |
| C23 | C24 | H40 | H41 | 120.0° | 120.0° |
| C23 | C24 | H40 | H42 | 120.0° | 120.0° |
| C23 | C24 | H41 | H42 | 120.0° | 120.0° |
| C24 | C23 | C25 | H43 | 53.7° | 180.0° |
| C24 | C23 | C25 | H44 | 66.3° | 60.0° |
| C24 | C23 | C25 | H45 | 173.7° | 60.0° |
| C25 | C23 | C24 | H40 | 53.6° | 59.9° |
| C25 | C23 | C24 | H41 | 173.6° | 60.0° |
| C25 | C23 | C24 | H42 | 66.4° | 180.0° |
| C23 | C25 | H43 | H44 | 120.0° | 120.0° |
| C23 | C25 | H43 | H45 | 120.0° | 120.0° |
| C23 | C25 | H44 | H45 | 120.0° | 120.1° |
| H39 | C23 | C24 | H40 | 63.2° | 180.0° |
| H39 | C23 | C24 | H41 | 56.8° | 60.0° |
| H39 | C23 | C24 | H42 | 176.8° | 60.0° |
| H39 | C23 | C25 | H43 | 63.1° | 60.0° |
| H39 | C23 | C25 | H44 | 176.9° | 60.0° |
| H39 | C23 | C25 | H45 | 56.9° | 180.0° |
| H40 | C24 | H41 | H42 | 120.0° | 120.0° |
| H43 | C25 | H44 | H45 | 120.0° | 120.0° |
| C26 | N10 | H46 | C22 | 180.0° | 178.3° |
| N10 | C26 | C27 | C28 | 123.4° | 119.8° |
| N10 | C26 | C27 | H47 | 118.6° | 120.1° |
| N10 | C26 | C28 | H47 | 119.7° | 120.3° |
| N10 | C26 | C27 | O7 | 56.8° | 45.8° |
| N10 | C26 | C28 | C29 | 174.0° | 65.0° |
| N10 | C26 | C28 | H48 | 53.4° | 54.9° |
| N10 | C26 | C28 | H49 | 65.3° | 175.0° |
| N10 | C26 | C27 | N11 | 120.7° | 134.6° |
| H46 | N10 | C26 | C27 | 45.6° | 11.8° |
| H46 | N10 | C26 | C28 | 77.5° | 107.7° |
| H46 | N10 | C26 | H47 | 163.6° | 131.8° |
| C27 | C26 | C28 | H47 | 118.2° | 120.0° |
| C26 | C27 | O7 | N11 | 177.4° | 179.6° |
| C27 | C26 | C28 | C29 | 64.0° | 175.3° |
| C27 | C26 | C28 | H48 | 175.4° | 64.8° |
| C27 | C26 | C28 | H49 | 56.7° | 55.3° |
| C26 | C27 | N11 | C30 | 178.5° | 178.1° |
| C26 | C27 | N11 | H53 | 1.5° | 1.7° |
| C27 | C26 | N10 | C22 | 134.4° | 166.5° |
| C28 | C26 | C27 | O7 | 66.5° | 74.0° |
| C26 | C28 | C29 | H48 | 120.6° | 120.0° |
| C26 | C28 | C29 | H49 | 120.7° | 120.0° |
| C26 | C28 | H48 | H49 | 118.0° | 120.1° |
| C26 | C28 | C29 | H50 | 180.0° | 60.0° |
| C26 | C28 | C29 | H51 | 60.0° | 60.0° |
| C26 | C28 | C29 | H52 | 60.0° | 180.0° |
| C28 | C26 | N10 | C22 | 102.5° | 73.9° |
| C28 | C26 | C27 | N11 | 115.9° | 105.6° |
| H47 | C26 | C27 | O7 | 175.4° | 165.9° |
| H47 | C26 | C28 | C29 | 54.3° | 55.3° |
| H47 | C26 | C28 | H48 | 66.4° | 175.3° |
| H47 | C26 | C28 | H49 | 174.9° | 64.7° |
| H47 | C26 | N10 | C22 | 16.5° | 46.5° |
| H47 | C26 | C27 | N11 | 2.2° | 14.5° |
| O7 | C27 | N11 | C30 | 4.0° | 2.3° |
| O7 | C27 | N11 | H53 | 176.0° | 177.9° |
| C29 | C28 | H48 | H49 | 118.1° | 120.0° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| H48 | C28 | C29 | H50 | 59.4° | 180.0° |
| H48 | C28 | C29 | H51 | 179.4° | 60.0° |
| H48 | C28 | C29 | H52 | 60.6° | 60.0° |
| H49 | C28 | C29 | H50 | 59.4° | 60.0° |
| H49 | C28 | C29 | H51 | 60.6° | 180.0° |
| H49 | C28 | C29 | H52 | 179.3° | 60.0° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
| C30 | N11 | H53 | C27 | 180.0° | 179.8° |
| N11 | C30 | C31 | C32 | 122.5° | 119.9° |
| N11 | C30 | C31 | H54 | 118.8° | 120.2° |
| N11 | C30 | C32 | H54 | 119.8° | 120.3° |
| N11 | C30 | C31 | O8 | 102.7° | 0.4° |
| N11 | C30 | C32 | C33 | 169.5° | 65.0° |
| N11 | C30 | C32 | H55 | 48.9° | 55.0° |
| N11 | C30 | C32 | H56 | 69.8° | 175.0° |
| N11 | C30 | C31 | N15 | 74.8° | 179.5° |
| H53 | N11 | C30 | C31 | 66.7° | 20.3° |
| H53 | N11 | C30 | C32 | 56.1° | 99.5° |
| H53 | N11 | C30 | H54 | 175.2° | 140.3° |
| C31 | C30 | C32 | H54 | 118.8° | 119.7° |
| C30 | C31 | O8 | N15 | 177.3° | 179.9° |
| C31 | C30 | C32 | C33 | 69.0° | 175.0° |
| C31 | C30 | C32 | H55 | 170.4° | 65.0° |
| C31 | C30 | C32 | H56 | 51.6° | 55.0° |
| C30 | C31 | N15 | C36 | 179.3° | 175.2° |
| C30 | C31 | N15 | H66 | 0.7° | 5.0° |
| C31 | C30 | N11 | C27 | 113.3° | 159.8° |
| C32 | C30 | C31 | O8 | 19.8° | 119.5° |
| C30 | C32 | C33 | H55 | 120.7° | 120.0° |
| C30 | C32 | C33 | H56 | 120.6° | 120.0° |
| C30 | C32 | H55 | H56 | 118.1° | 120.0° |
| C30 | C32 | C33 | C34 | 179.8° | 180.0° |
| C30 | C32 | C33 | H57 | 59.5° | 60.0° |
| C30 | C32 | C33 | H58 | 59.9° | 60.0° |
| C32 | C30 | N11 | C27 | 123.8° | 80.4° |
| C32 | C30 | C31 | N15 | 162.7° | 60.6° |
| H54 | C30 | C31 | O8 | 138.5° | 120.6° |
| H54 | C30 | C32 | C33 | 49.8° | 55.3° |
| H54 | C30 | C32 | H55 | 70.8° | 175.3° |
| H54 | C30 | C32 | H56 | 170.4° | 64.7° |
| H54 | C30 | N11 | C27 | 4.8° | 39.9° |
| H54 | C30 | C31 | N15 | 43.9° | 59.3° |
| O8 | C31 | N15 | C36 | 1.8° | 4.9° |
| O8 | C31 | N15 | H66 | 178.2° | 174.9° |
| C33 | C32 | H55 | H56 | 118.0° | 120.0° |
| C32 | C33 | C34 | H57 | 120.3° | 120.0° |
| C32 | C33 | C34 | H58 | 120.3° | 120.0° |
| C32 | C33 | H57 | H58 | 119.2° | 120.0° |
| C32 | C33 | C34 | N12 | 56.6° | 180.0° |
| C32 | C33 | C34 | H59 | 63.7° | 60.0° |
| C32 | C33 | C34 | H60 | 177.0° | 60.0° |
| H55 | C32 | C33 | C34 | 59.6° | 60.0° |
| H55 | C32 | C33 | H57 | 179.8° | 180.0° |
| H55 | C32 | C33 | H58 | 60.7° | 60.0° |
| H56 | C32 | C33 | C34 | 59.1° | 60.0° |
| H56 | C32 | C33 | H57 | 61.1° | 60.0° |
| H56 | C32 | C33 | H58 | 179.4° | 180.0° |
| C34 | C33 | H57 | H58 | 119.2° | 120.0° |
| C33 | C34 | N12 | H59 | 120.4° | 120.0° |
| C33 | C34 | N12 | H60 | 120.4° | 120.0° |
| C33 | C34 | H59 | H60 | 118.9° | 120.0° |
| C33 | C34 | N12 | C35 | 158.5° | 180.0° |
| C33 | C34 | N12 | H61 | 21.5° | 0.0° |
| H57 | C33 | C34 | N12 | 176.9° | 60.0° |
| H57 | C33 | C34 | H59 | 56.5° | 180.0° |
| H57 | C33 | C34 | H60 | 62.7° | 60.0° |
| H58 | C33 | C34 | N12 | 63.7° | 60.0° |
| H58 | C33 | C34 | H59 | 176.0° | 60.0° |
| H58 | C33 | C34 | H60 | 56.7° | 179.9° |
| N12 | C34 | H59 | H60 | 118.8° | 120.0° |
| C34 | N12 | C35 | H61 | 180.0° | 180.0° |
| C34 | N12 | C35 | N13 | 7.3° | 0.0° |
| C34 | N12 | C35 | N14 | 174.3° | 180.0° |
| H59 | C34 | N12 | C35 | 81.1° | 60.0° |
| H59 | C34 | N12 | H61 | 98.9° | 120.0° |
| H60 | C34 | N12 | C35 | 38.2° | 60.0° |
| H60 | C34 | N12 | H61 | 141.8° | 119.9° |
| N12 | C35 | N13 | N14 | 178.3° | 180.0° |
| N12 | C35 | N13 | H62 | 178.3° | 0.0° |
| N12 | C35 | N13 | H63 | 1.7° | 180.0° |
| N12 | C35 | N14 | H64 | 178.3° | 180.0° |
| N12 | C35 | N14 | H65 | 1.6° | 0.0° |
| H61 | N12 | C35 | N13 | 172.7° | 180.0° |
| H61 | N12 | C35 | N14 | 5.7° | 0.0° |
| C35 | N13 | H62 | H63 | 180.0° | 180.0° |
| N13 | C35 | N14 | H64 | 0.0° | 0.0° |
| N13 | C35 | N14 | H65 | 180.0° | 180.0° |
| N14 | C35 | N13 | H62 | 0.0° | 180.0° |
| N14 | C35 | N13 | H63 | 180.0° | 0.0° |
| C35 | N14 | H64 | H65 | 180.0° | 180.0° |
| C36 | N15 | H66 | C31 | 180.0° | 179.8° |
| N15 | C36 | C37 | C38 | 125.6° | 119.9° |
| N15 | C36 | C37 | H67 | 117.4° | 120.2° |
| N15 | C36 | C38 | H67 | 117.4° | 120.6° |
| N15 | C36 | C37 | O9 | 108.4° | 29.3° |
| N15 | C36 | C38 | C39 | 173.3° | 65.0° |
| N15 | C36 | C38 | H68 | 52.6° | 55.0° |
| N15 | C36 | C38 | H69 | 66.0° | 175.0° |
| N15 | C36 | C37 | N19 | 69.1° | 150.6° |
| H66 | N15 | C36 | C37 | 127.5° | 55.6° |
| H66 | N15 | C36 | C38 | 106.3° | 64.2° |
| H66 | N15 | C36 | H67 | 10.6° | 175.4° |
| C37 | C36 | C38 | H67 | 117.0° | 119.8° |
| C36 | C37 | O9 | N19 | 177.3° | 179.9° |
| C37 | C36 | C38 | C39 | 61.1° | 175.4° |
| C37 | C36 | C38 | H68 | 178.2° | 64.6° |
| C37 | C36 | C38 | H69 | 59.7° | 55.4° |
| C36 | C37 | N19 | C42 | 179.5° | 179.8° |
| C36 | C37 | N19 | H79 | 0.5° | 0.0° |
| C37 | C36 | N15 | C31 | 52.5° | 124.6° |
| C38 | C36 | C37 | O9 | 17.2° | 90.6° |
| C36 | C38 | C39 | H68 | 120.7° | 120.0° |
| C36 | C38 | C39 | H69 | 120.7° | 120.1° |
| C36 | C38 | H68 | H69 | 117.7° | 120.0° |
| C36 | C38 | C39 | C40 | 175.5° | 180.0° |
| C36 | C38 | C39 | H70 | 64.2° | 60.0° |
| C36 | C38 | C39 | H71 | 55.2° | 60.0° |
| C38 | C36 | N15 | C31 | 73.7° | 115.6° |
| C38 | C36 | C37 | N19 | 165.3° | 89.5° |
| H67 | C36 | C37 | O9 | 134.2° | 149.5° |
| H67 | C36 | C38 | C39 | 55.9° | 55.6° |
| H67 | C36 | C38 | H68 | 64.8° | 175.6° |
| H67 | C36 | C38 | H69 | 176.7° | 64.4° |
| H67 | C36 | N15 | C31 | 169.4° | 4.8° |
| H67 | C36 | C37 | N19 | 48.3° | 30.4° |
| O9 | C37 | N19 | C42 | 2.1° | 0.1° |
| O9 | C37 | N19 | H79 | 178.0° | 179.9° |
| C39 | C38 | H68 | H69 | 117.8° | 120.0° |
| C38 | C39 | C40 | H70 | 120.3° | 120.0° |
| C38 | C39 | C40 | H71 | 120.3° | 120.0° |
| C38 | C39 | H70 | H71 | 119.1° | 120.0° |
| C38 | C39 | C40 | N16 | 61.4° | 180.0° |
| C38 | C39 | C40 | H72 | 178.3° | 60.0° |
| C38 | C39 | C40 | H73 | 59.0° | 60.0° |
| H68 | C38 | C39 | C40 | 54.8° | 60.0° |
| H68 | C38 | C39 | H70 | 175.1° | 180.0° |
| H68 | C38 | C39 | H71 | 65.5° | 60.0° |
| H69 | C38 | C39 | C40 | 63.8° | 59.9° |
| H69 | C38 | C39 | H70 | 56.6° | 60.1° |
| H69 | C38 | C39 | H71 | 176.0° | 180.0° |
| C40 | C39 | H70 | H71 | 119.1° | 120.0° |
| C39 | C40 | N16 | H72 | 120.4° | 120.0° |
| C39 | C40 | N16 | H73 | 120.4° | 120.0° |
| C39 | C40 | H72 | H73 | 119.0° | 120.0° |
| C39 | C40 | N16 | C41 | 144.4° | 180.0° |
| C39 | C40 | N16 | H74 | 35.7° | 0.0° |
| H70 | C39 | C40 | N16 | 58.9° | 60.0° |
| H70 | C39 | C40 | H72 | 61.4° | 180.0° |
| H70 | C39 | C40 | H73 | 179.3° | 60.0° |
| H71 | C39 | C40 | N16 | 178.4° | 60.0° |
| H71 | C39 | C40 | H72 | 58.0° | 60.0° |
| H71 | C39 | C40 | H73 | 61.3° | 180.0° |
| N16 | C40 | H72 | H73 | 118.9° | 119.9° |
| C40 | N16 | C41 | H74 | 180.0° | 180.0° |
| C40 | N16 | C41 | N17 | 0.1° | 0.1° |
| C40 | N16 | C41 | N18 | 179.9° | 180.0° |
| H72 | C40 | N16 | C41 | 95.3° | 59.9° |
| H72 | C40 | N16 | H74 | 84.7° | 120.1° |
| H73 | C40 | N16 | C41 | 24.0° | 60.0° |
| H73 | C40 | N16 | H74 | 156.0° | 120.0° |
| N16 | C41 | N17 | N18 | 179.8° | 180.0° |
| N16 | C41 | N17 | H75 | 179.8° | 0.1° |
| N16 | C41 | N17 | H76 | 0.2° | 180.0° |
| N16 | C41 | N18 | H77 | 179.8° | 0.0° |
| N16 | C41 | N18 | H78 | 0.2° | 180.0° |
| H74 | N16 | C41 | N17 | 179.9° | 179.9° |
| H74 | N16 | C41 | N18 | 0.1° | 0.0° |
| C41 | N17 | H75 | H76 | 179.9° | 179.9° |
| N17 | C41 | N18 | H77 | 0.0° | 179.9° |
| N17 | C41 | N18 | H78 | 180.0° | 0.0° |
| N18 | C41 | N17 | H75 | 0.0° | 179.9° |
| N18 | C41 | N17 | H76 | 180.0° | 0.0° |
| C41 | N18 | H77 | H78 | 179.9° | 179.9° |
| C42 | N19 | H79 | C37 | 180.0° | 179.8° |
| N19 | C42 | C43 | H80 | 120.4° | 119.9° |
| N19 | C42 | C43 | H81 | 120.4° | 120.3° |
| N19 | C42 | H80 | H81 | 118.8° | 120.2° |
| N19 | C42 | C43 | O10 | 143.2° | 5.4° |
| N19 | C42 | C43 | N20 | 36.2° | 174.8° |
| H79 | N19 | C42 | C43 | 81.5° | 44.7° |
| H79 | N19 | C42 | H80 | 38.9° | 75.1° |
| H79 | N19 | C42 | H81 | 158.1° | 164.8° |
| C43 | C42 | H80 | H81 | 118.8° | 119.9° |
| C42 | C43 | O10 | N20 | 179.4° | 179.9° |
| C42 | C43 | N20 | C44 | 180.0° | 178.5° |
| C42 | C43 | N20 | H82 | 0.0° | 1.9° |
| C43 | C42 | N19 | C37 | 98.5° | 135.1° |
| H80 | C42 | C43 | O10 | 22.8° | 125.2° |
| H80 | C42 | N19 | C37 | 141.1° | 105.0° |
| H80 | C42 | C43 | N20 | 156.6° | 54.9° |
| H81 | C42 | C43 | O10 | 96.4° | 114.9° |
| H81 | C42 | N19 | C37 | 21.9° | 15.1° |
| H81 | C42 | C43 | N20 | 84.2° | 65.0° |
| O10 | C43 | N20 | C44 | 0.6° | 1.6° |
| O10 | C43 | N20 | H82 | 179.4° | 178.0° |
| C44 | N20 | H82 | C43 | 180.0° | 179.7° |
| N20 | C44 | C45 | C46 | 123.1° | 120.3° |
| N20 | C44 | C45 | H83 | 119.1° | 119.8° |
| N20 | C44 | C46 | H83 | 120.2° | 120.2° |
| N20 | C44 | C45 | O11 | 86.4° | 45.8° |
| N20 | C44 | C46 | C47 | 177.3° | 60.0° |
| N20 | C44 | C46 | C48 | 54.2° | 60.1° |
| N20 | C44 | C46 | H84 | 64.1° | 179.9° |
| N20 | C44 | C45 | N21 | 91.0° | 134.3° |
| H82 | N20 | C44 | C45 | 104.5° | 27.8° |
| H82 | N20 | C44 | C46 | 17.4° | 92.3° |
| H82 | N20 | C44 | H83 | 136.9° | 147.3° |
| C45 | C44 | C46 | H83 | 118.0° | 119.6° |
| C44 | C45 | O11 | N21 | 177.2° | 179.9° |
| C45 | C44 | C46 | C47 | 60.9° | 179.8° |
| C45 | C44 | C46 | C48 | 176.0° | 60.1° |
| C45 | C44 | C46 | H84 | 57.6° | 59.9° |
| C44 | C45 | N21 | C49 | 179.7° | 179.2° |
| C44 | C45 | N21 | H91 | 0.3° | 0.7° |
| C45 | C44 | N20 | C43 | 75.5° | 151.9° |
| C46 | C44 | C45 | O11 | 36.7° | 74.5° |
| C44 | C46 | C47 | C48 | 123.4° | 120.0° |
| C44 | C46 | C47 | H84 | 118.4° | 119.9° |
| C44 | C46 | C48 | H84 | 118.0° | 120.0° |
| C44 | C46 | C47 | H85 | 180.0° | 60.0° |
| C44 | C46 | C47 | H86 | 60.0° | 180.0° |
| C44 | C46 | C47 | H87 | 60.0° | 60.0° |
| C44 | C46 | C48 | H88 | 180.0° | 60.0° |
| C44 | C46 | C48 | H89 | 60.0° | 180.0° |
| C44 | C46 | C48 | H90 | 60.0° | 60.0° |
| C46 | C44 | N20 | C43 | 162.6° | 88.0° |
| C46 | C44 | C45 | N21 | 145.8° | 105.3° |
| H83 | C44 | C45 | O11 | 154.5° | 165.6° |
| H83 | C44 | C46 | C47 | 57.1° | 60.3° |
| H83 | C44 | C46 | C48 | 66.0° | 179.7° |
| H83 | C44 | C46 | H84 | 175.6° | 59.7° |
| H83 | C44 | N20 | C43 | 43.1° | 32.3° |
| H83 | C44 | C45 | N21 | 28.1° | 14.6° |
| O11 | C45 | N21 | C49 | 2.3° | 0.9° |
| O11 | C45 | N21 | H91 | 177.7° | 179.2° |
| C47 | C46 | C48 | H84 | 118.1° | 120.0° |
| C46 | C47 | H85 | H86 | 120.0° | 120.0° |
| C46 | C47 | H85 | H87 | 120.0° | 120.0° |
| C46 | C47 | H86 | H87 | 120.0° | 120.0° |
| C47 | C46 | C48 | H88 | 56.2° | 180.0° |
| C47 | C46 | C48 | H89 | 63.8° | 60.0° |
| C47 | C46 | C48 | H90 | 176.2° | 60.0° |
| C48 | C46 | C47 | H85 | 56.6° | 60.0° |
| C48 | C46 | C47 | H86 | 176.6° | 60.1° |
| C48 | C46 | C47 | H87 | 63.4° | 179.9° |
| C46 | C48 | H88 | H89 | 120.0° | 120.0° |
| C46 | C48 | H88 | H90 | 120.0° | 120.1° |
| C46 | C48 | H89 | H90 | 120.0° | 120.0° |
| H84 | C46 | C47 | H85 | 61.6° | 179.9° |
| H84 | C46 | C47 | H86 | 58.4° | 60.0° |
| H84 | C46 | C47 | H87 | 178.4° | 59.9° |
| H84 | C46 | C48 | H88 | 61.9° | 60.0° |
| H84 | C46 | C48 | H89 | 178.0° | 60.0° |
| H84 | C46 | C48 | H90 | 58.1° | 180.0° |
| H85 | C47 | H86 | H87 | 120.0° | 120.0° |
| H88 | C48 | H89 | H90 | 120.0° | 120.0° |
| C49 | N21 | H91 | C45 | 180.0° | 179.9° |
| N21 | C49 | C50 | C51 | 121.4° | 119.7° |
| N21 | C49 | C50 | H92 | 119.7° | 120.4° |
| N21 | C49 | C51 | H92 | 119.8° | 120.5° |
| N21 | C49 | C50 | O12 | 47.2° | 0.1° |
| N21 | C49 | C51 | C52 | 178.8° | 65.0° |
| N21 | C49 | C51 | H93 | 58.0° | 55.0° |
| N21 | C49 | C51 | H94 | 60.4° | 175.0° |
| N21 | C49 | C50 | N22 | 131.3° | 179.6° |
| H91 | N21 | C49 | C50 | 92.7° | 19.9° |
| H91 | N21 | C49 | C51 | 29.4° | 99.6° |
| H91 | N21 | C49 | H92 | 148.4° | 140.1° |
| C50 | C49 | C51 | H92 | 119.1° | 119.8° |
| C49 | C50 | O12 | N22 | 178.3° | 179.7° |
| C50 | C49 | C51 | C52 | 60.1° | 175.3° |
| C50 | C49 | C51 | H93 | 179.1° | 64.7° |
| C50 | C49 | C51 | H94 | 60.7° | 55.3° |
| C49 | C50 | N22 | C53 | 179.8° | 174.0° |
| C49 | C50 | N22 | H98 | 0.3° | 6.5° |
| C50 | C49 | N21 | C45 | 87.3° | 160.2° |
| C51 | C49 | C50 | O12 | 74.2° | 119.6° |
| C49 | C51 | C52 | H93 | 120.8° | 120.0° |
| C49 | C51 | C52 | H94 | 120.7° | 120.0° |
| C49 | C51 | H93 | H94 | 117.6° | 120.0° |
| C49 | C51 | C52 | H95 | 180.0° | 60.0° |
| C49 | C51 | C52 | H96 | 60.0° | 60.0° |
| C49 | C51 | C52 | H97 | 60.0° | 180.0° |
| C51 | C49 | N21 | C45 | 150.6° | 80.3° |
| C51 | C49 | C50 | N22 | 107.4° | 60.7° |
| H92 | C49 | C50 | O12 | 166.8° | 120.5° |
| H92 | C49 | C51 | C52 | 59.0° | 55.5° |
| H92 | C49 | C51 | H93 | 61.8° | 175.5° |
| H92 | C49 | C51 | H94 | 179.8° | 64.5° |
| H92 | C49 | N21 | C45 | 31.6° | 40.0° |
| H92 | C49 | C50 | N22 | 11.6° | 59.2° |
| O12 | C50 | N22 | C53 | 1.8° | 6.3° |
| O12 | C50 | N22 | H98 | 178.1° | 173.3° |
| C52 | C51 | H93 | H94 | 117.7° | 120.0° |
| C51 | C52 | H95 | H96 | 120.0° | 120.0° |
| C51 | C52 | H95 | H97 | 120.0° | 119.9° |
| C51 | C52 | H96 | H97 | 120.0° | 120.0° |
| H93 | C51 | C52 | H95 | 59.2° | 179.9° |
| H93 | C51 | C52 | H96 | 179.2° | 60.0° |
| H93 | C51 | C52 | H97 | 60.8° | 60.1° |
| H94 | C51 | C52 | H95 | 59.3° | 60.0° |
| H94 | C51 | C52 | H96 | 60.8° | 180.0° |
| H94 | C51 | C52 | H97 | 179.3° | 60.0° |
| H95 | C52 | H96 | H97 | 120.0° | 120.1° |
| C53 | N22 | H98 | C50 | 180.0° | 179.5° |
| N22 | C53 | C54 | C55 | 119.1° | 119.6° |
| N22 | C53 | C54 | H99 | 120.5° | 120.4° |
| N22 | C53 | C55 | H99 | 121.2° | 120.6° |
| N22 | C53 | C54 | O13 | 81.4° | 33.7° |
| N22 | C53 | C55 | C56 | 170.0° | 65.1° |
| N22 | C53 | C55 | H100 | 49.1° | 55.0° |
| N22 | C53 | C55 | H101 | 69.1° | 175.0° |
| N22 | C53 | C54 | N26 | 96.1° | 146.5° |
| H98 | N22 | C53 | C54 | 47.2° | 88.2° |
| H98 | N22 | C53 | C55 | 72.8° | 31.4° |
| H98 | N22 | C53 | H99 | 166.9° | 151.7° |
| C54 | C53 | C55 | H99 | 120.5° | 119.9° |
| C53 | C54 | O13 | N26 | 177.3° | 179.8° |
| C54 | C53 | C55 | C56 | 71.7° | 175.5° |
| C54 | C53 | C55 | H100 | 167.4° | 64.5° |
| C54 | C53 | C55 | H101 | 49.2° | 55.5° |
| C53 | C54 | N26 | C59 | 178.7° | 176.3° |
| C53 | C54 | N26 | H111 | 1.3° | 3.6° |
| C54 | C53 | N22 | C50 | 132.8° | 92.3° |
| C55 | C53 | C54 | O13 | 37.8° | 85.9° |
| C53 | C55 | C56 | H100 | 120.9° | 120.0° |
| C53 | C55 | C56 | H101 | 120.9° | 120.0° |
| C53 | C55 | H100 | H101 | 117.3° | 120.0° |
| C53 | C55 | C56 | C57 | 61.5° | 180.0° |
| C53 | C55 | C56 | H102 | 178.3° | 60.0° |
| C53 | C55 | C56 | H103 | 58.7° | 60.0° |
| C55 | C53 | N22 | C50 | 107.1° | 148.1° |
| C55 | C53 | C54 | N26 | 144.8° | 93.8° |
| H99 | C53 | C54 | O13 | 158.1° | 154.1° |
| H99 | C53 | C55 | C56 | 48.8° | 55.6° |
| H99 | C53 | C55 | H100 | 72.1° | 175.6° |
| H99 | C53 | C55 | H101 | 169.7° | 64.4° |
| H99 | C53 | N22 | C50 | 13.1° | 27.8° |
| H99 | C53 | C54 | N26 | 24.4° | 26.1° |
| O13 | C54 | N26 | C59 | 1.3° | 3.9° |
| O13 | C54 | N26 | H111 | 178.7° | 176.2° |
| C56 | C55 | H100 | H101 | 117.3° | 120.0° |
| C55 | C56 | C57 | H102 | 120.2° | 120.0° |
| C55 | C56 | C57 | H103 | 120.2° | 120.0° |
| C55 | C56 | H102 | H103 | 119.3° | 119.9° |
| C55 | C56 | C57 | N23 | 52.7° | 180.0° |
| C55 | C56 | C57 | H104 | 173.1° | 60.0° |
| C55 | C56 | C57 | H105 | 67.7° | 60.0° |
| H100 | C55 | C56 | C57 | 59.3° | 60.0° |
| H100 | C55 | C56 | H102 | 60.9° | 180.0° |
| H100 | C55 | C56 | H103 | 179.6° | 60.0° |
| H101 | C55 | C56 | C57 | 177.6° | 60.0° |
| H101 | C55 | C56 | H102 | 57.4° | 60.0° |
| H101 | C55 | C56 | H103 | 62.2° | 180.0° |
| C57 | C56 | H102 | H103 | 119.3° | 120.1° |
| C56 | C57 | N23 | H104 | 120.4° | 120.0° |
| C56 | C57 | N23 | H105 | 120.4° | 120.0° |
| C56 | C57 | H104 | H105 | 118.9° | 120.0° |
| C56 | C57 | N23 | C58 | 157.9° | 180.0° |
| C56 | C57 | N23 | H106 | 22.1° | 0.0° |
| H102 | C56 | C57 | N23 | 67.5° | 60.1° |
| H102 | C56 | C57 | H104 | 52.9° | 180.0° |
| H102 | C56 | C57 | H105 | 172.1° | 59.9° |
| H103 | C56 | C57 | N23 | 173.0° | 60.0° |
| H103 | C56 | C57 | H104 | 66.7° | 60.0° |
| H103 | C56 | C57 | H105 | 52.6° | 180.0° |
| N23 | C57 | H104 | H105 | 118.9° | 120.0° |
| C57 | N23 | C58 | H106 | 180.0° | 180.0° |
| C57 | N23 | C58 | N24 | 5.7° | 0.0° |
| C57 | N23 | C58 | N25 | 175.5° | 180.0° |
| H104 | C57 | N23 | C58 | 81.7° | 60.0° |
| H104 | C57 | N23 | H106 | 98.2° | 120.0° |
| H105 | C57 | N23 | C58 | 37.5° | 60.0° |
| H105 | C57 | N23 | H106 | 142.5° | 120.0° |
| N23 | C58 | N24 | N25 | 178.7° | 180.0° |
| N23 | C58 | N24 | H107 | 178.8° | 0.0° |
| N23 | C58 | N24 | H108 | 1.2° | 180.0° |
| N23 | C58 | N25 | H109 | 178.8° | 180.0° |
| N23 | C58 | N25 | H110 | 1.3° | 0.0° |
| H106 | N23 | C58 | N24 | 174.2° | 180.0° |
| H106 | N23 | C58 | N25 | 4.5° | 0.0° |
| C58 | N24 | H107 | H108 | 180.0° | 179.9° |
| N24 | C58 | N25 | H109 | 0.0° | 0.1° |
| N24 | C58 | N25 | H110 | 180.0° | 180.0° |
| N25 | C58 | N24 | H107 | 0.0° | 180.0° |
| N25 | C58 | N24 | H108 | 180.0° | 0.1° |
| C58 | N25 | H109 | H110 | 179.9° | 180.0° |
| C59 | N26 | H111 | C54 | 180.0° | 179.9° |
| N26 | C59 | C60 | C61 | 122.5° | 119.8° |
| N26 | C59 | C60 | H112 | 119.0° | 120.5° |
| N26 | C59 | C61 | H112 | 119.4° | 120.3° |
| N26 | C59 | C60 | O14 | 79.7° | 4.8° |
| N26 | C59 | C61 | C62 | 176.3° | 65.0° |
| N26 | C59 | C61 | H113 | 55.6° | 55.1° |
| N26 | C59 | C61 | H114 | 63.0° | 175.0° |
| N26 | C59 | C60 | N27 | 97.8° | 174.9° |
| H111 | N26 | C59 | C60 | 80.7° | 27.5° |
| H111 | N26 | C59 | C61 | 42.2° | 92.1° |
| H111 | N26 | C59 | H112 | 160.9° | 147.8° |
| C60 | C59 | C61 | H112 | 118.7° | 119.6° |
| C59 | C60 | O14 | N27 | 177.3° | 179.7° |
| C60 | C59 | C61 | C62 | 61.8° | 174.9° |
| C60 | C59 | C61 | H113 | 177.5° | 65.1° |
| C60 | C59 | C61 | H114 | 58.9° | 54.9° |
| C59 | C60 | N27 | C63 | 179.9° | 178.4° |
| C59 | C60 | N27 | H118 | 0.1° | 1.7° |
| C60 | C59 | N26 | C54 | 99.3° | 152.6° |
| C61 | C59 | C60 | O14 | 42.8° | 115.0° |
| C59 | C61 | C62 | H113 | 120.7° | 120.0° |
| C59 | C61 | C62 | H114 | 120.7° | 120.0° |
| C59 | C61 | H113 | H114 | 117.9° | 119.9° |
| C59 | C61 | C62 | H115 | 180.0° | 180.0° |
| C59 | C61 | C62 | H116 | 60.0° | 60.0° |
| C59 | C61 | C62 | H117 | 60.0° | 60.1° |
| C61 | C59 | N26 | C54 | 137.9° | 87.7° |
| C61 | C59 | C60 | N27 | 139.7° | 65.3° |
| H112 | C59 | C60 | O14 | 161.3° | 125.3° |
| H112 | C59 | C61 | C62 | 56.9° | 55.2° |
| H112 | C59 | C61 | H113 | 63.8° | 175.3° |
| H112 | C59 | C61 | H114 | 177.6° | 64.8° |
| H112 | C59 | N26 | C54 | 19.1° | 32.4° |
| H112 | C59 | C60 | N27 | 21.2° | 54.4° |
| O14 | C60 | N27 | C63 | 2.5° | 1.9° |
| O14 | C60 | N27 | H118 | 177.5° | 178.0° |
| C62 | C61 | H113 | H114 | 117.8° | 120.0° |
| C61 | C62 | H115 | H116 | 120.0° | 120.0° |
| C61 | C62 | H115 | H117 | 120.0° | 119.9° |
| C61 | C62 | H116 | H117 | 120.0° | 120.0° |
| H113 | C61 | C62 | H115 | 59.3° | 60.0° |
| H113 | C61 | C62 | H116 | 179.3° | 180.0° |
| H113 | C61 | C62 | H117 | 60.7° | 60.0° |
| H114 | C61 | C62 | H115 | 59.3° | 60.0° |
| H114 | C61 | C62 | H116 | 60.7° | 60.0° |
| H114 | C61 | C62 | H117 | 179.3° | 180.0° |
| H115 | C62 | H116 | H117 | 120.0° | 120.0° |
| C63 | N27 | H118 | C60 | 180.0° | 179.9° |
| N27 | C63 | C64 | C65 | 127.4° | 120.9° |
| N27 | C63 | C64 | H119 | 117.3° | 118.7° |
| N27 | C63 | C65 | H119 | 118.0° | 118.9° |
| N27 | C63 | C64 | O15 | 58.6° | 54.0° |
| N27 | C63 | C65 | C66 | 67.4° | 66.0° |
| N27 | C63 | C65 | C67 | 55.4° | 54.0° |
| N27 | C63 | C65 | H120 | 174.3° | 174.0° |
| N27 | C63 | C64 | N28 | 118.2° | 125.4° |
| H118 | N27 | C63 | C64 | 77.3° | 58.0° |
| H118 | N27 | C63 | C65 | 48.9° | 64.3° |
| H118 | N27 | C63 | H119 | 166.0° | 176.6° |
| C64 | C63 | C65 | H119 | 115.7° | 120.1° |
| C63 | C64 | O15 | N28 | 176.6° | 179.4° |
| C64 | C63 | C65 | C66 | 166.3° | 173.0° |
| C64 | C63 | C65 | C67 | 71.0° | 66.9° |
| C64 | C63 | C65 | H120 | 48.0° | 53.0° |
| C63 | C64 | N28 | C68 | 175.7° | 171.0° |
| C63 | C64 | N28 | H127 | 4.3° | 10.6° |
| C64 | C63 | N27 | C60 | 102.8° | 122.1° |
| C65 | C63 | C64 | O15 | 68.8° | 174.9° |
| C63 | C65 | C66 | C67 | 124.0° | 120.0° |
| C63 | C65 | C66 | H120 | 117.9° | 120.0° |
| C63 | C65 | C67 | H120 | 118.7° | 120.0° |
| C63 | C65 | C66 | H121 | 180.0° | 65.0° |
| C63 | C65 | C66 | H122 | 60.0° | 175.0° |
| C63 | C65 | C66 | H123 | 60.0° | 55.0° |
| C63 | C65 | C67 | H124 | 180.0° | 64.7° |
| C63 | C65 | C67 | H125 | 60.0° | 175.3° |
| C63 | C65 | C67 | H126 | 60.0° | 55.3° |
| C65 | C63 | N27 | C60 | 131.1° | 115.6° |
| C65 | C63 | C64 | N28 | 114.4° | 4.5° |
| H119 | C63 | C64 | O15 | 175.9° | 64.7° |
| H119 | C63 | C65 | C66 | 50.6° | 52.9° |
| H119 | C63 | C65 | C67 | 173.3° | 172.9° |
| H119 | C63 | C65 | H120 | 67.7° | 67.1° |
| H119 | C63 | N27 | C60 | 14.0° | 3.5° |
| H119 | C63 | C64 | N28 | 0.9° | 115.9° |
| O15 | C64 | N28 | C68 | 7.5° | 9.6° |
| O15 | C64 | N28 | H127 | 172.5° | 168.8° |
| C66 | C65 | C67 | H120 | 118.2° | 119.9° |
| C65 | C66 | H121 | H122 | 120.0° | 120.0° |
| C65 | C66 | H121 | H123 | 120.0° | 120.0° |
| C65 | C66 | H122 | H123 | 120.0° | 120.0° |
| C66 | C65 | C67 | H124 | 56.8° | 175.3° |
| C66 | C65 | C67 | H125 | 63.2° | 55.2° |
| C66 | C65 | C67 | H126 | 176.8° | 64.8° |
| C67 | C65 | C66 | H121 | 56.0° | 55.0° |
| C67 | C65 | C66 | H122 | 176.0° | 65.0° |
| C67 | C65 | C66 | H123 | 64.0° | 175.0° |
| C65 | C67 | H124 | H125 | 120.0° | 120.0° |
| C65 | C67 | H124 | H126 | 120.0° | 119.9° |
| C65 | C67 | H125 | H126 | 120.0° | 119.9° |
| H120 | C65 | C66 | H121 | 62.1° | 175.0° |
| H120 | C65 | C66 | H122 | 57.9° | 54.9° |
| H120 | C65 | C66 | H123 | 177.9° | 65.1° |
| H120 | C65 | C67 | H124 | 61.4° | 55.3° |
| H120 | C65 | C67 | H125 | 178.6° | 64.7° |
| H120 | C65 | C67 | H126 | 58.7° | 175.3° |
| H121 | C66 | H122 | H123 | 120.0° | 120.0° |
| H124 | C67 | H125 | H126 | 120.0° | 120.1° |
| C68 | N28 | H127 | C64 | 180.0° | 178.5° |
| N28 | C68 | C69 | C70 | 123.8° | 121.2° |
| N28 | C68 | C69 | H128 | 118.0° | 118.7° |
| N28 | C68 | C70 | H128 | 119.7° | 119.4° |
| N28 | C68 | C69 | O16 | 71.9° | 18.1° |
| N28 | C68 | C70 | S2 | 67.5° | 108.9° |
| N28 | C68 | C70 | H129 | 53.1° | 10.8° |
| N28 | C68 | C70 | H130 | 171.8° | 130.9° |
| N28 | C68 | C69 | N29 | 105.2° | 161.8° |
| H127 | N28 | C68 | C69 | 79.6° | 121.8° |
| H127 | N28 | C68 | C70 | 44.0° | 116.9° |
| H127 | N28 | C68 | H128 | 162.9° | 2.9° |
| C69 | C68 | C70 | H128 | 118.5° | 120.0° |
| C68 | C69 | O16 | N29 | 176.8° | 179.9° |
| C69 | C68 | C70 | S2 | 170.6° | 130.5° |
| C69 | C68 | C70 | H129 | 68.7° | 109.9° |
| C69 | C68 | C70 | H130 | 49.9° | 10.2° |
| C68 | C69 | N29 | C71 | 176.7° | 176.5° |
| C68 | C69 | N29 | H131 | 3.4° | 4.0° |
| C69 | C68 | N28 | C64 | 100.4° | 59.7° |
| C70 | C68 | C69 | O16 | 51.9° | 103.1° |
| C68 | C70 | S2 | H129 | 120.7° | 120.0° |
| C68 | C70 | S2 | H130 | 120.7° | 120.5° |
| C68 | C70 | H129 | H130 | 117.8° | 120.5° |
| C68 | C70 | S2 | S1 | 82.7° | 112.0° |
| C70 | C68 | N28 | C64 | 136.1° | 61.6° |
| C70 | C68 | C69 | N29 | 131.0° | 77.0° |
| H128 | C68 | C69 | O16 | 170.1° | 136.8° |
| H128 | C68 | C70 | S2 | 52.1° | 10.5° |
| H128 | C68 | C70 | H129 | 172.8° | 130.1° |
| H128 | C68 | C70 | H130 | 68.6° | 109.7° |
| H128 | C68 | N28 | C64 | 17.1° | 178.6° |
| H128 | C68 | C69 | N29 | 12.8° | 43.2° |
| O16 | C69 | N29 | C71 | 0.3° | 3.4° |
| O16 | C69 | N29 | H131 | 179.6° | 176.1° |
| S2 | C70 | H129 | H130 | 117.8° | 119.5° |
| H129 | C70 | S2 | S1 | 156.6° | 128.0° |
| H130 | C70 | S2 | S1 | 38.0° | 8.5° |
| C71 | N29 | H131 | C69 | 180.0° | 179.5° |
| N29 | C71 | C72 | C73 | 124.9° | 119.6° |
| N29 | C71 | C72 | H132 | 118.2° | 121.0° |
| N29 | C71 | C73 | H132 | 118.0° | 120.9° |
| N29 | C71 | C72 | O17 | 56.3° | 17.7° |
| N29 | C71 | C73 | C74 | 57.0° | 174.0° |
| N29 | C71 | C73 | H133 | 177.8° | 54.0° |
| N29 | C71 | C73 | H134 | 63.9° | 66.0° |
| N29 | C71 | C72 | N33 | 118.8° | 160.9° |
| H131 | N29 | C71 | C72 | 48.6° | 8.4° |
| H131 | N29 | C71 | C73 | 76.7° | 110.5° |
| H131 | N29 | C71 | H132 | 166.1° | 129.0° |
| C72 | C71 | C73 | H132 | 117.2° | 119.3° |
| C71 | C72 | O17 | N33 | 174.7° | 178.5° |
| C72 | C71 | C73 | C74 | 67.8° | 66.3° |
| C72 | C71 | C73 | H133 | 53.0° | 173.7° |
| C72 | C71 | C73 | H134 | 171.3° | 53.7° |
| C71 | C72 | N33 | C77 | 176.5° | 157.9° |
| C71 | C72 | N33 | H144 | 3.5° | 22.2° |
| C72 | C71 | N29 | C69 | 131.3° | 171.1° |
| C73 | C71 | C72 | O17 | 68.5° | 101.9° |
| C71 | C73 | C74 | H133 | 120.9° | 120.0° |
| C71 | C73 | C74 | H134 | 120.8° | 120.0° |
| C71 | C73 | H133 | H134 | 117.3° | 120.1° |
| C71 | C73 | C74 | C75 | 177.2° | 175.4° |
| C71 | C73 | C74 | H135 | 57.1° | 55.3° |
| C71 | C73 | C74 | H136 | 62.7° | 64.7° |
| C73 | C71 | N29 | C69 | 103.3° | 70.0° |
| C73 | C71 | C72 | N33 | 116.3° | 79.5° |
| H132 | C71 | C72 | O17 | 174.5° | 138.7° |
| H132 | C71 | C73 | C74 | 175.0° | 53.1° |
| H132 | C71 | C73 | H133 | 64.1° | 67.0° |
| H132 | C71 | C73 | H134 | 54.2° | 173.0° |
| H132 | C71 | N29 | C69 | 13.8° | 50.5° |
| H132 | C71 | C72 | N33 | 0.7° | 39.9° |
| O17 | C72 | N33 | C77 | 8.5° | 23.6° |
| O17 | C72 | N33 | H144 | 171.5° | 156.3° |
| C74 | C73 | H133 | H134 | 117.3° | 119.9° |
| C73 | C74 | C75 | H135 | 120.1° | 120.0° |
| C73 | C74 | C75 | H136 | 120.1° | 120.0° |
| C73 | C74 | H135 | H136 | 119.6° | 120.0° |
| C73 | C74 | C75 | N30 | 178.1° | 180.0° |
| C73 | C74 | C75 | H137 | 57.7° | 60.0° |
| C73 | C74 | C75 | H138 | 61.4° | 60.0° |
| H133 | C73 | C74 | C75 | 61.9° | 64.6° |
| H133 | C73 | C74 | H135 | 178.0° | 175.4° |
| H133 | C73 | C74 | H136 | 58.2° | 55.4° |
| H134 | C73 | C74 | C75 | 56.3° | 55.3° |
| H134 | C73 | C74 | H135 | 63.7° | 64.7° |
| H134 | C73 | C74 | H136 | 176.5° | 175.3° |
| C75 | C74 | H135 | H136 | 119.6° | 120.0° |
| C74 | C75 | N30 | H137 | 120.4° | 120.0° |
| C74 | C75 | N30 | H138 | 120.5° | 120.0° |
| C74 | C75 | H137 | H138 | 118.6° | 120.0° |
| C74 | C75 | N30 | C76 | 159.0° | 180.0° |
| C74 | C75 | N30 | H139 | 21.0° | 0.0° |
| H135 | C74 | C75 | N30 | 61.8° | 60.0° |
| H135 | C74 | C75 | H137 | 177.8° | 180.0° |
| H135 | C74 | C75 | H138 | 58.7° | 60.0° |
| H136 | C74 | C75 | N30 | 58.0° | 60.0° |
| H136 | C74 | C75 | H137 | 62.5° | 60.0° |
| H136 | C74 | C75 | H138 | 178.5° | 180.0° |
| N30 | C75 | H137 | H138 | 118.6° | 120.0° |
| C75 | N30 | C76 | H139 | 180.0° | 179.9° |
| C75 | N30 | C76 | N31 | 7.2° | 0.1° |
| C75 | N30 | C76 | N32 | 174.1° | 180.0° |
| H137 | C75 | N30 | C76 | 80.5° | 60.0° |
| H137 | C75 | N30 | H139 | 99.5° | 120.0° |
| H138 | C75 | N30 | C76 | 38.5° | 59.9° |
| H138 | C75 | N30 | H139 | 141.5° | 120.0° |
| N30 | C76 | N31 | N32 | 178.7° | 179.9° |
| N30 | C76 | N31 | H140 | 178.7° | 0.1° |
| N30 | C76 | N31 | H141 | 1.3° | 180.0° |
| N30 | C76 | N32 | H142 | 178.7° | 0.1° |
| N30 | C76 | N32 | H143 | 1.3° | 180.0° |
| H139 | N30 | C76 | N31 | 172.8° | 180.0° |
| H139 | N30 | C76 | N32 | 5.9° | 0.1° |
| C76 | N31 | H140 | H141 | 180.0° | 180.0° |
| N31 | C76 | N32 | H142 | 0.0° | 180.0° |
| N31 | C76 | N32 | H143 | 180.0° | 0.0° |
| N32 | C76 | N31 | H140 | 0.0° | 180.0° |
| N32 | C76 | N31 | H141 | 180.0° | 0.0° |
| C76 | N32 | H142 | H143 | 180.0° | 180.0° |
| C77 | N33 | H144 | C72 | 180.0° | 179.9° |
| N33 | C77 | C78 | C79 | 122.8° | 128.6° |
| N33 | C77 | C78 | H145 | 118.8° | 115.9° |
| N33 | C77 | C79 | H145 | 118.7° | 116.9° |
| N33 | C77 | C78 | O18 | 147.8° | 104.7° |
| N33 | C77 | C79 | C80 | 158.0° | 65.0° |
| N33 | C77 | C79 | H146 | 37.2° | 54.9° |
| N33 | C77 | C79 | H147 | 81.2° | 175.0° |
| N33 | C77 | C78 | N1 | 31.2° | 74.6° |
| H144 | N33 | C77 | C78 | 116.2° | 63.2° |
| H144 | N33 | C77 | C79 | 120.0° | 169.3° |
| H144 | N33 | C77 | H145 | 2.0° | 52.5° |
| C78 | C77 | C79 | H145 | 118.4° | 115.4° |
| C77 | C78 | O18 | N1 | 178.9° | 179.3° |
| C78 | C77 | C79 | C80 | 79.2° | 167.3° |
| C78 | C77 | C79 | H146 | 160.1° | 72.7° |
| C78 | C77 | C79 | H147 | 41.7° | 47.4° |
| C78 | C77 | N33 | C72 | 63.8° | 116.8° |
| C79 | C77 | C78 | O18 | 24.9° | 126.7° |
| C77 | C79 | C80 | H146 | 120.8° | 120.0° |
| C77 | C79 | C80 | H147 | 120.8° | 120.0° |
| C77 | C79 | H146 | H147 | 117.5° | 120.1° |
| C77 | C79 | C80 | C81 | 179.7° | 180.0° |
| C77 | C79 | C80 | H148 | 60.2° | 59.9° |
| C77 | C79 | C80 | H149 | 59.5° | 60.0° |
| C79 | C77 | C78 | N1 | 154.0° | 54.0° |
| C79 | C77 | N33 | C72 | 60.0° | 10.8° |
| H145 | C77 | C78 | O18 | 93.5° | 11.2° |
| H145 | C77 | C79 | C80 | 39.3° | 51.9° |
| H145 | C77 | C79 | H146 | 81.5° | 171.8° |
| H145 | C77 | C79 | H147 | 160.1° | 68.1° |
| H145 | C77 | C78 | N1 | 87.6° | 169.5° |
| H145 | C77 | N33 | C72 | 178.0° | 127.6° |
| C80 | C79 | H146 | H147 | 117.5° | 119.9° |
| C79 | C80 | C81 | H148 | 120.2° | 120.1° |
| C79 | C80 | C81 | H149 | 120.2° | 119.9° |
| C79 | C80 | H148 | H149 | 119.6° | 119.9° |
| C79 | C80 | C81 | N34 | 52.5° | 180.0° |
| C79 | C80 | C81 | H150 | 67.8° | 60.0° |
| C79 | C80 | C81 | H151 | 172.9° | 60.0° |
| H146 | C79 | C80 | C81 | 58.9° | 60.0° |
| H146 | C79 | C80 | H148 | 179.0° | 179.9° |
| H146 | C79 | C80 | H149 | 61.3° | 60.0° |
| H147 | C79 | C80 | C81 | 59.5° | 60.0° |
| H147 | C79 | C80 | H148 | 60.6° | 60.1° |
| H147 | C79 | C80 | H149 | 179.7° | NaN° |
| C81 | C80 | H148 | H149 | 119.5° | 120.0° |
| C80 | C81 | N34 | H150 | 120.4° | 120.0° |
| C80 | C81 | N34 | H151 | 120.4° | 120.0° |
| C80 | C81 | H150 | H151 | 118.8° | 120.0° |
| C80 | C81 | N34 | C82 | 175.6° | 180.0° |
| C80 | C81 | N34 | H152 | 4.4° | 0.0° |
| H148 | C80 | C81 | N34 | 172.7° | 59.9° |
| H148 | C80 | C81 | H150 | 52.3° | 180.0° |
| H148 | C80 | C81 | H151 | 66.9° | 60.0° |
| H149 | C80 | C81 | N34 | 67.6° | 60.1° |
| H149 | C80 | C81 | H150 | 172.0° | 60.0° |
| H149 | C80 | C81 | H151 | 52.8° | 180.0° |
| N34 | C81 | H150 | H151 | 118.7° | 120.0° |
| C81 | N34 | C82 | H152 | 180.0° | 180.0° |
| C81 | N34 | C82 | N35 | 9.5° | 0.1° |
| C81 | N34 | C82 | N36 | 172.3° | 180.0° |
| H150 | C81 | N34 | C82 | 64.0° | 60.0° |
| H150 | C81 | N34 | H152 | 116.0° | 120.0° |
| H151 | C81 | N34 | C82 | 55.2° | 60.0° |
| H151 | C81 | N34 | H152 | 124.8° | 120.0° |
| N34 | C82 | N35 | N36 | 178.2° | 179.9° |
| N34 | C82 | N35 | H153 | 178.2° | 0.0° |
| N34 | C82 | N35 | H154 | 1.8° | 180.0° |
| N34 | C82 | N36 | H155 | 178.3° | 179.9° |
| N34 | C82 | N36 | H156 | 1.8° | 0.0° |
| H152 | N34 | C82 | N35 | 170.5° | 180.0° |
| H152 | N34 | C82 | N36 | 7.7° | 0.0° |
| C82 | N35 | H153 | H154 | 180.0° | 180.0° |
| N35 | C82 | N36 | H155 | 0.0° | 0.0° |
| N35 | C82 | N36 | H156 | 180.0° | 179.9° |
| N36 | C82 | N35 | H153 | 0.0° | 180.0° |
| N36 | C82 | N35 | H154 | 180.0° | 0.0° |
| C82 | N36 | H155 | H156 | 180.0° | 179.9° |
