PRD_001002
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| 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 | 0.98Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 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 | 1.44Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | C12 | sing | 1.46Å | 1.43Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H21 | sing | 1.10Å | 1.10Å | |
| C13 | O4 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | N5 | sing | 1.46Å | 1.47Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C17 | sing | 1.37Å | 1.34Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C17 | N6 | sing | 1.33Å | 1.34Å | |
| C17 | N7 | doub | 1.33Å | 1.33Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| N7 | H32 | sing | 0.97Å | 1.00Å | |
| N8 | C18 | sing | 1.46Å | 1.42Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | S1 | sing | 1.82Å | 1.84Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| N9 | C21 | sing | 1.47Å | 1.43Å | |
| N9 | H37 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | O6 | doub | 1.22Å | 1.24Å | |
| 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 | 1.43Å | |
| 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 | 1.43Å | |
| N11 | H53 | sing | 0.98Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.49Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H54 | sing | 1.10Å | 1.10Å | |
| C31 | O8 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | N12 | sing | 1.46Å | 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 | 1.32Å | |
| 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 | 1.47Å | 1.45Å | |
| N15 | H66 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.54Å | 1.55Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.22Å | 1.23Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| 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 | 1.47Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C40 | H73 | sing | 1.09Å | 1.10Å | |
| N16 | C41 | sing | 1.37Å | 1.34Å | |
| N16 | H74 | sing | 0.97Å | 1.00Å | |
| C41 | N17 | sing | 1.33Å | 1.33Å | |
| C41 | N18 | doub | 1.33Å | 1.33Å | |
| 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 | 1.42Å | |
| N19 | H79 | sing | 0.98Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| C42 | H81 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.21Å | 1.23Å | |
| N20 | C44 | sing | 1.47Å | 1.45Å | |
| N20 | H82 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.50Å | 1.52Å | |
| C44 | C46 | sing | 1.52Å | 1.56Å | |
| C44 | H83 | sing | 1.10Å | 1.10Å | |
| C45 | O11 | doub | 1.22Å | 1.23Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| 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 | 1.47Å | 1.45Å | |
| N21 | H91 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.50Å | 1.52Å | |
| C49 | C51 | sing | 1.53Å | 1.54Å | |
| C49 | H92 | sing | 1.09Å | 1.10Å | |
| C50 | O12 | doub | 1.21Å | 1.23Å | |
| 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 | 1.45Å | |
| N22 | H98 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.51Å | |
| 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 | 1.46Å | 1.46Å | |
| C57 | H104 | sing | 1.09Å | 1.10Å | |
| C57 | H105 | sing | 1.09Å | 1.10Å | |
| N23 | C58 | sing | 1.37Å | 1.33Å | |
| N23 | H106 | sing | 0.97Å | 1.00Å | |
| C58 | N24 | sing | 1.33Å | 1.34Å | |
| 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 | 1.43Å | |
| N26 | H111 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.50Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | H112 | sing | 1.09Å | 1.10Å | |
| C60 | O14 | doub | 1.21Å | 1.24Å | |
| C61 | S2 | sing | 1.81Å | 1.84Å | |
| C61 | H113 | sing | 1.09Å | 1.10Å | |
| C61 | H114 | sing | 1.09Å | 1.10Å | |
| N27 | C62 | sing | 1.46Å | 1.44Å | |
| N27 | H115 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | C64 | sing | 1.53Å | 1.56Å | |
| C62 | H116 | sing | 1.09Å | 1.10Å | |
| C63 | O15 | doub | 1.21Å | 1.24Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| C64 | C66 | sing | 1.53Å | 1.52Å | |
| C64 | H117 | sing | 1.09Å | 1.10Å | |
| C65 | H118 | sing | 1.09Å | 1.10Å | |
| C65 | H119 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N28 | C67 | sing | 1.47Å | 1.43Å | |
| N28 | H124 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.50Å | 1.52Å | |
| C67 | C69 | sing | 1.53Å | 1.54Å | |
| C67 | H125 | sing | 1.09Å | 1.10Å | |
| C68 | O16 | doub | 1.22Å | 1.23Å | |
| C69 | C70 | sing | 1.53Å | 1.52Å | |
| C69 | H126 | sing | 1.09Å | 1.10Å | |
| C69 | H127 | sing | 1.09Å | 1.10Å | |
| C70 | H128 | sing | 1.09Å | 1.10Å | |
| C70 | H129 | sing | 1.09Å | 1.10Å | |
| C70 | H130 | sing | 1.09Å | 1.10Å | |
| N29 | C71 | sing | 1.46Å | 1.43Å | |
| N29 | H131 | sing | 0.98Å | 1.00Å | |
| C71 | C72 | sing | 1.51Å | 1.51Å | |
| C71 | C73 | sing | 1.53Å | 1.54Å | |
| C71 | H132 | sing | 1.09Å | 1.10Å | |
| C72 | O17 | doub | 1.21Å | 1.24Å | |
| C73 | C74 | sing | 1.53Å | 1.53Å | |
| C73 | H133 | sing | 1.09Å | 1.10Å | |
| C73 | H134 | sing | 1.09Å | 1.10Å | |
| C74 | C75 | sing | 1.53Å | 1.53Å | |
| C74 | H135 | sing | 1.09Å | 1.10Å | |
| C74 | H136 | sing | 1.09Å | 1.10Å | |
| C75 | N30 | sing | 1.47Å | 1.48Å | |
| C75 | H137 | sing | 1.09Å | 1.10Å | |
| C75 | H138 | sing | 1.09Å | 1.10Å | |
| N30 | C76 | sing | 1.37Å | 1.35Å | |
| N30 | H139 | sing | 0.97Å | 1.00Å | |
| C76 | N31 | sing | 1.33Å | 1.33Å | |
| 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 | 1.46Å | 1.46Å | |
| N33 | H144 | sing | 0.97Å | 1.00Å | |
| C77 | C78 | sing | 1.51Å | 1.54Å | |
| C77 | C79 | sing | 1.53Å | 1.56Å | |
| C77 | H145 | sing | 1.09Å | 1.10Å | |
| C78 | O18 | doub | 1.21Å | 1.23Å | |
| C79 | C80 | sing | 1.53Å | 1.54Å | |
| C79 | H146 | sing | 1.09Å | 1.10Å | |
| C79 | H147 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.53Å | 1.52Å | |
| C80 | H148 | sing | 1.09Å | 1.10Å | |
| C80 | H149 | sing | 1.09Å | 1.10Å | |
| C81 | N34 | sing | 1.46Å | 1.47Å | |
| 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 | 1.32Å | |
| 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 | 1.35Å | 1.31Å | |
| C2 | N2 | sing | 1.34Å | 1.32Å | |
| C4 | N3 | sing | 1.35Å | 1.31Å | |
| C9 | N4 | sing | 1.35Å | 1.30Å | |
| C13 | N8 | sing | 1.34Å | 1.30Å | |
| C19 | N9 | sing | 1.35Å | 1.29Å | |
| S1 | S2 | sing | 2.05Å | 2.04Å | |
| C22 | N10 | sing | 1.35Å | 1.29Å | |
| C27 | N11 | sing | 1.35Å | 1.30Å | |
| C31 | N15 | sing | 1.35Å | 1.32Å | |
| C37 | N19 | sing | 1.34Å | 1.31Å | |
| C43 | N20 | sing | 1.35Å | 1.32Å | |
| C45 | N21 | sing | 1.34Å | 1.31Å | |
| C50 | N22 | sing | 1.35Å | 1.31Å | |
| C54 | N26 | sing | 1.35Å | 1.29Å | |
| C60 | N27 | sing | 1.35Å | 1.30Å | |
| C63 | N28 | sing | 1.35Å | 1.30Å | |
| C68 | N29 | sing | 1.34Å | 1.30Å | |
| C72 | N33 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.1° | 119.7° |
| N1 | C1 | C2 | 113.2° | 109.7° |
| N1 | C1 | H2 | 108.5° | 109.7° |
| N1 | C1 | H3 | 108.5° | 109.6° |
| C1 | N1 | C78 | 121.8° | 120.3° |
| H1 | N1 | C78 | 119.1° | 120.0° |
| C2 | C1 | H2 | 108.5° | 109.2° |
| C2 | C1 | H3 | 108.5° | 109.3° |
| C1 | C2 | O1 | 120.4° | 119.1° |
| C1 | C2 | N2 | 116.9° | 119.6° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| O1 | C2 | N2 | 122.7° | 121.3° |
| C3 | N2 | H4 | 119.4° | 118.6° |
| N2 | C3 | C4 | 109.1° | 110.7° |
| N2 | C3 | C5 | 111.7° | 110.1° |
| N2 | C3 | H5 | 109.5° | 108.8° |
| C3 | N2 | C2 | 121.2° | 123.0° |
| H4 | N2 | C2 | 119.4° | 118.4° |
| C4 | C3 | C5 | 109.9° | 110.0° |
| C4 | C3 | H5 | 108.5° | 108.5° |
| C3 | C4 | O2 | 120.6° | 120.1° |
| C3 | C4 | N3 | 116.4° | 120.4° |
| C5 | C3 | H5 | 108.0° | 108.6° |
| C3 | C5 | C6 | 111.3° | 109.5° |
| C3 | C5 | C7 | 110.7° | 109.5° |
| C3 | C5 | H6 | 107.8° | 109.5° |
| O2 | C4 | N3 | 122.9° | 119.4° |
| C6 | C5 | C7 | 110.4° | 109.4° |
| 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° | 109.4° |
| C7 | C5 | H6 | 108.3° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N3 | H13 | 119.3° | 119.8° |
| N3 | C8 | C9 | 107.9° | 110.0° |
| N3 | C8 | C10 | 110.8° | 109.1° |
| N3 | C8 | H14 | 109.8° | 109.6° |
| C8 | N3 | C4 | 121.3° | 120.5° |
| H13 | N3 | C4 | 119.4° | 119.7° |
| C9 | C8 | C10 | 110.9° | 109.2° |
| C9 | C8 | H14 | 108.8° | 109.6° |
| C8 | C9 | O3 | 120.7° | 119.3° |
| C8 | C9 | N4 | 116.2° | 120.9° |
| C10 | C8 | H14 | 108.6° | 109.3° |
| C8 | C10 | C11 | 114.1° | 109.5° |
| C8 | C10 | H15 | 108.3° | 109.5° |
| C8 | C10 | H16 | 108.3° | 109.5° |
| O3 | C9 | N4 | 123.0° | 119.8° |
| C11 | C10 | H15 | 108.3° | 109.5° |
| C11 | C10 | H16 | 108.3° | 109.4° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.4° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C12 | N4 | H20 | 119.1° | 120.4° |
| N4 | C12 | C13 | 110.7° | 111.8° |
| N4 | C12 | C14 | 109.9° | 109.5° |
| N4 | C12 | H21 | 109.1° | 108.8° |
| C12 | N4 | C9 | 121.8° | 119.5° |
| H20 | N4 | C9 | 119.1° | 120.1° |
| C13 | C12 | C14 | 111.1° | 109.4° |
| C13 | C12 | H21 | 108.1° | 108.7° |
| C12 | C13 | O4 | 120.8° | 119.6° |
| C12 | C13 | N8 | 115.7° | 120.6° |
| C14 | C12 | H21 | 107.8° | 108.6° |
| C12 | C14 | C15 | 114.8° | 109.5° |
| C12 | C14 | H22 | 108.2° | 109.4° |
| C12 | C14 | H23 | 108.1° | 109.5° |
| O4 | C13 | N8 | 123.4° | 119.8° |
| C15 | C14 | H22 | 108.1° | 109.5° |
| C15 | C14 | H23 | 108.1° | 109.5° |
| C14 | C15 | C16 | 110.8° | 109.5° |
| C14 | C15 | H24 | 109.1° | 109.5° |
| C14 | C15 | H25 | 109.1° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| C16 | C15 | H24 | 109.2° | 109.4° |
| C16 | C15 | H25 | 109.1° | 109.4° |
| C15 | C16 | N5 | 111.8° | 109.5° |
| C15 | C16 | H26 | 108.9° | 109.4° |
| C15 | C16 | H27 | 108.9° | 109.4° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| N5 | C16 | H26 | 108.9° | 109.5° |
| N5 | C16 | H27 | 108.9° | 109.5° |
| C16 | N5 | C17 | 126.3° | 120.0° |
| C16 | N5 | H28 | 116.9° | 120.0° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| C17 | N5 | H28 | 116.9° | 120.0° |
| N5 | C17 | N6 | 120.7° | 120.0° |
| N5 | C17 | N7 | 119.6° | 120.0° |
| N6 | C17 | N7 | 119.7° | 120.0° |
| C17 | N6 | H29 | 120.0° | 119.9° |
| C17 | N6 | H30 | 120.0° | 120.0° |
| C17 | N7 | H31 | 120.0° | 120.0° |
| C17 | N7 | H32 | 120.0° | 120.0° |
| H29 | N6 | H30 | 120.0° | 120.0° |
| H31 | N7 | H32 | 120.0° | 120.0° |
| C18 | N8 | H33 | 118.8° | 118.3° |
| N8 | C18 | C19 | 109.0° | 110.8° |
| N8 | C18 | C20 | 111.2° | 109.4° |
| N8 | C18 | H34 | 109.1° | 109.6° |
| C18 | N8 | C13 | 122.3° | 122.3° |
| H33 | N8 | C13 | 118.9° | 119.4° |
| C19 | C18 | C20 | 111.6° | 109.7° |
| C19 | C18 | H34 | 108.0° | 108.9° |
| C18 | C19 | O5 | 121.5° | 119.4° |
| C18 | C19 | N9 | 115.2° | 120.7° |
| C20 | C18 | H34 | 107.8° | 108.4° |
| C18 | C20 | S1 | 114.0° | 109.4° |
| C18 | C20 | H35 | 108.4° | 109.4° |
| C18 | C20 | H36 | 108.3° | 109.6° |
| O5 | C19 | N9 | 123.2° | 119.9° |
| S1 | C20 | H35 | 108.3° | 109.5° |
| S1 | C20 | H36 | 108.3° | 109.5° |
| C20 | S1 | S2 | 104.5° | 103.0° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| C21 | N9 | H37 | 118.6° | 119.3° |
| N9 | C21 | C22 | 107.9° | 109.9° |
| N9 | C21 | C23 | 111.6° | 109.0° |
| N9 | C21 | H38 | 110.6° | 109.6° |
| C21 | N9 | C19 | 122.8° | 120.7° |
| H37 | N9 | C19 | 118.6° | 120.0° |
| C22 | C21 | C23 | 108.3° | 109.6° |
| C22 | C21 | H38 | 109.5° | 109.2° |
| C21 | C22 | O6 | 120.6° | 119.3° |
| C21 | C22 | N10 | 116.3° | 121.4° |
| C23 | C21 | H38 | 108.9° | 109.7° |
| C21 | C23 | C24 | 111.5° | 109.4° |
| C21 | C23 | C25 | 111.9° | 109.5° |
| C21 | C23 | H39 | 107.2° | 109.5° |
| O6 | C22 | N10 | 123.1° | 119.3° |
| C24 | C23 | C25 | 110.7° | 109.5° |
| C24 | C23 | H39 | 107.6° | 109.4° |
| C23 | C24 | H40 | 109.5° | 109.4° |
| C23 | C24 | H41 | 109.5° | 109.5° |
| C23 | C24 | H42 | 109.5° | 109.5° |
| C25 | C23 | H39 | 107.7° | 109.5° |
| C23 | C25 | H43 | 109.5° | 109.5° |
| C23 | C25 | H44 | 109.4° | 109.5° |
| C23 | C25 | H45 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.4° |
| H40 | C24 | H42 | 109.4° | 109.5° |
| H41 | C24 | H42 | 109.4° | 109.5° |
| H43 | C25 | H44 | 109.5° | 109.4° |
| H43 | C25 | H45 | 109.5° | 109.5° |
| H44 | C25 | H45 | 109.4° | 109.5° |
| C26 | N10 | H46 | 119.1° | 119.1° |
| N10 | C26 | C27 | 108.1° | 109.6° |
| N10 | C26 | C28 | 110.9° | 109.0° |
| N10 | C26 | H47 | 109.8° | 109.7° |
| C26 | N10 | C22 | 121.7° | 120.3° |
| H46 | N10 | C22 | 119.1° | 120.6° |
| C27 | C26 | C28 | 110.9° | 109.6° |
| C27 | C26 | H47 | 108.6° | 109.4° |
| C26 | C27 | O7 | 121.1° | 118.8° |
| C26 | C27 | N11 | 115.7° | 119.7° |
| C28 | C26 | H47 | 108.4° | 109.6° |
| C26 | C28 | C29 | 113.7° | 109.5° |
| C26 | C28 | H48 | 108.4° | 109.5° |
| C26 | C28 | H49 | 108.4° | 109.4° |
| O7 | C27 | N11 | 123.0° | 121.5° |
| C29 | C28 | H48 | 108.4° | 109.5° |
| C29 | C28 | H49 | 108.4° | 109.4° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.4° | 109.5° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| H50 | C29 | H52 | 109.5° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.4° |
| C30 | N11 | H53 | 118.6° | 118.1° |
| N11 | C30 | C31 | 108.9° | 110.2° |
| N11 | C30 | C32 | 111.1° | 110.9° |
| N11 | C30 | H54 | 109.5° | 108.6° |
| C30 | N11 | C27 | 122.9° | 122.3° |
| H53 | N11 | C27 | 118.5° | 119.5° |
| C31 | C30 | C32 | 110.5° | 110.2° |
| C31 | C30 | H54 | 108.7° | 108.4° |
| C30 | C31 | O8 | 120.5° | 119.9° |
| C30 | C31 | N15 | 114.9° | 119.1° |
| C32 | C30 | H54 | 108.1° | 108.6° |
| C30 | C32 | C33 | 115.5° | 109.5° |
| C30 | C32 | H55 | 107.9° | 109.5° |
| C30 | C32 | H56 | 107.9° | 109.5° |
| O8 | C31 | N15 | 124.6° | 120.9° |
| C33 | C32 | H55 | 108.0° | 109.4° |
| C33 | C32 | H56 | 107.9° | 109.5° |
| C32 | C33 | C34 | 112.9° | 109.5° |
| C32 | C33 | H57 | 108.6° | 109.4° |
| C32 | C33 | H58 | 108.6° | 109.5° |
| H55 | C32 | H56 | 109.5° | 109.4° |
| C34 | C33 | H57 | 108.6° | 109.5° |
| C34 | C33 | H58 | 108.6° | 109.4° |
| C33 | C34 | N12 | 113.7° | 109.5° |
| C33 | C34 | H59 | 108.4° | 109.4° |
| C33 | C34 | H60 | 108.4° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| N12 | C34 | H59 | 108.4° | 109.5° |
| N12 | C34 | H60 | 108.4° | 109.5° |
| C34 | N12 | C35 | 125.2° | 120.0° |
| C34 | N12 | H61 | 117.4° | 120.0° |
| H59 | C34 | H60 | 109.5° | 109.4° |
| C35 | N12 | H61 | 117.4° | 120.0° |
| N12 | C35 | N13 | 120.5° | 120.0° |
| N12 | C35 | N14 | 119.3° | 120.0° |
| N13 | C35 | N14 | 120.2° | 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 | 118.0° | 119.4° |
| N15 | C36 | C37 | 110.2° | 108.6° |
| N15 | C36 | C38 | 110.0° | 108.7° |
| N15 | C36 | H67 | 108.3° | 110.2° |
| C36 | N15 | C31 | 124.0° | 121.5° |
| H66 | N15 | C31 | 118.0° | 119.1° |
| C37 | C36 | C38 | 113.6° | 109.1° |
| C37 | C36 | H67 | 107.4° | 110.1° |
| C36 | C37 | O9 | 122.1° | 118.6° |
| C36 | C37 | N19 | 115.2° | 122.9° |
| C38 | C36 | H67 | 107.2° | 110.1° |
| C36 | C38 | C39 | 116.2° | 109.4° |
| C36 | C38 | H68 | 107.8° | 109.5° |
| C36 | C38 | H69 | 107.8° | 109.5° |
| O9 | C37 | N19 | 122.6° | 118.5° |
| C39 | C38 | H68 | 107.8° | 109.5° |
| C39 | C38 | H69 | 107.8° | 109.5° |
| C38 | C39 | C40 | 110.1° | 109.5° |
| C38 | C39 | H70 | 109.3° | 109.5° |
| C38 | C39 | H71 | 109.3° | 109.5° |
| H68 | C38 | H69 | 109.4° | 109.5° |
| C40 | C39 | H70 | 109.3° | 109.5° |
| C40 | C39 | H71 | 109.3° | 109.4° |
| C39 | C40 | N16 | 110.5° | 109.5° |
| C39 | C40 | H72 | 109.2° | 109.5° |
| C39 | C40 | H73 | 109.2° | 109.5° |
| H70 | C39 | H71 | 109.5° | 109.5° |
| N16 | C40 | H72 | 109.2° | 109.5° |
| N16 | C40 | H73 | 109.2° | 109.4° |
| C40 | N16 | C41 | 126.2° | 120.0° |
| C40 | N16 | H74 | 116.9° | 120.0° |
| H72 | C40 | H73 | 109.5° | 109.5° |
| C41 | N16 | H74 | 116.9° | 119.9° |
| N16 | C41 | N17 | 120.7° | 120.0° |
| N16 | C41 | N18 | 119.8° | 120.0° |
| N17 | C41 | N18 | 119.5° | 120.0° |
| C41 | N17 | H75 | 120.0° | 120.0° |
| 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° | 120.0° |
| H77 | N18 | H78 | 120.0° | 120.0° |
| C42 | N19 | H79 | 119.4° | 118.3° |
| N19 | C42 | C43 | 114.1° | 108.8° |
| N19 | C42 | H80 | 108.3° | 109.6° |
| N19 | C42 | H81 | 108.3° | 110.8° |
| C42 | N19 | C37 | 121.3° | 123.4° |
| H79 | N19 | C37 | 119.4° | 118.3° |
| C43 | C42 | H80 | 108.3° | 109.1° |
| C43 | C42 | H81 | 108.3° | 109.0° |
| C42 | C43 | O10 | 119.9° | 119.4° |
| C42 | C43 | N20 | 117.7° | 120.5° |
| H80 | C42 | H81 | 109.5° | 109.6° |
| O10 | C43 | N20 | 122.3° | 120.1° |
| C44 | N20 | H82 | 119.4° | 120.0° |
| N20 | C44 | C45 | 110.4° | 109.9° |
| N20 | C44 | C46 | 111.6° | 110.0° |
| N20 | C44 | H83 | 108.9° | 108.5° |
| C44 | N20 | C43 | 121.1° | 120.0° |
| H82 | N20 | C43 | 119.4° | 119.9° |
| C45 | C44 | C46 | 110.2° | 111.2° |
| C45 | C44 | H83 | 108.0° | 108.4° |
| C44 | C45 | O11 | 120.7° | 118.4° |
| C44 | C45 | N21 | 116.6° | 123.0° |
| C46 | C44 | H83 | 107.6° | 108.8° |
| C44 | C46 | C47 | 111.4° | 109.4° |
| C44 | C46 | C48 | 110.5° | 109.5° |
| C44 | C46 | H84 | 107.9° | 109.5° |
| O11 | C45 | N21 | 122.7° | 118.6° |
| C47 | C46 | C48 | 110.2° | 109.5° |
| C47 | C46 | H84 | 108.3° | 109.5° |
| C46 | C47 | H85 | 109.5° | 109.5° |
| C46 | C47 | H86 | 109.5° | 109.4° |
| C46 | C47 | H87 | 109.5° | 109.5° |
| C48 | C46 | H84 | 108.3° | 109.5° |
| C46 | C48 | H88 | 109.5° | 109.4° |
| C46 | C48 | H89 | 109.5° | 109.5° |
| C46 | C48 | H90 | 109.4° | 109.5° |
| H85 | C47 | H86 | 109.4° | 109.5° |
| H85 | C47 | H87 | 109.5° | 109.5° |
| H86 | C47 | H87 | 109.5° | 109.5° |
| H88 | C48 | H89 | 109.5° | 109.5° |
| H88 | C48 | H90 | 109.5° | 109.4° |
| H89 | C48 | H90 | 109.5° | 109.5° |
| C49 | N21 | H91 | 119.2° | 118.5° |
| N21 | C49 | C50 | 108.9° | 109.7° |
| N21 | C49 | C51 | 110.4° | 109.1° |
| N21 | C49 | H92 | 109.6° | 109.4° |
| C49 | N21 | C45 | 121.6° | 119.7° |
| H91 | N21 | C45 | 119.2° | 121.8° |
| C50 | C49 | C51 | 111.0° | 109.0° |
| C50 | C49 | H92 | 108.5° | 110.1° |
| C49 | C50 | O12 | 121.0° | 119.3° |
| C49 | C50 | N22 | 116.2° | 121.1° |
| C51 | C49 | H92 | 108.4° | 109.6° |
| C49 | C51 | C52 | 114.2° | 109.4° |
| C49 | C51 | H93 | 108.3° | 109.5° |
| C49 | C51 | H94 | 108.3° | 109.5° |
| O12 | C50 | N22 | 122.8° | 119.5° |
| C52 | C51 | H93 | 108.3° | 109.5° |
| C52 | C51 | H94 | 108.3° | 109.4° |
| C51 | C52 | H95 | 109.5° | 109.4° |
| C51 | C52 | H96 | 109.5° | 109.5° |
| C51 | C52 | H97 | 109.5° | 109.4° |
| H93 | C51 | H94 | 109.4° | 109.5° |
| H95 | C52 | H96 | 109.5° | 109.5° |
| H95 | C52 | H97 | 109.5° | 109.4° |
| H96 | C52 | H97 | 109.5° | 109.5° |
| C53 | N22 | H98 | 119.1° | 120.4° |
| N22 | C53 | C54 | 110.6° | 110.8° |
| N22 | C53 | C55 | 110.6° | 109.5° |
| N22 | C53 | H99 | 109.4° | 109.0° |
| C53 | N22 | C50 | 121.9° | 118.8° |
| H98 | N22 | C50 | 119.0° | 120.8° |
| C54 | C53 | C55 | 109.3° | 109.6° |
| C54 | C53 | H99 | 108.6° | 109.0° |
| C53 | C54 | O13 | 120.6° | 119.9° |
| C53 | C54 | N26 | 116.5° | 120.0° |
| C55 | C53 | H99 | 108.2° | 108.8° |
| C53 | C55 | C56 | 114.4° | 109.5° |
| C53 | C55 | H100 | 108.2° | 109.5° |
| C53 | C55 | H101 | 108.2° | 109.5° |
| O13 | C54 | N26 | 122.9° | 120.1° |
| C56 | C55 | H100 | 108.3° | 109.4° |
| C56 | C55 | H101 | 108.2° | 109.5° |
| C55 | C56 | C57 | 111.7° | 109.5° |
| C55 | C56 | H102 | 108.9° | 109.4° |
| C55 | C56 | H103 | 108.9° | 109.4° |
| H100 | C55 | H101 | 109.5° | 109.4° |
| C57 | C56 | H102 | 108.9° | 109.4° |
| C57 | C56 | H103 | 108.9° | 109.5° |
| C56 | C57 | N23 | 112.7° | 109.5° |
| C56 | C57 | H104 | 108.6° | 109.4° |
| C56 | C57 | H105 | 108.6° | 109.5° |
| H102 | C56 | H103 | 109.5° | 109.5° |
| N23 | C57 | H104 | 108.7° | 109.4° |
| N23 | C57 | H105 | 108.7° | 109.5° |
| C57 | N23 | C58 | 124.9° | 120.0° |
| C57 | N23 | H106 | 117.5° | 120.0° |
| H104 | C57 | H105 | 109.5° | 109.5° |
| C58 | N23 | H106 | 117.5° | 120.0° |
| N23 | C58 | N24 | 120.3° | 120.0° |
| N23 | C58 | N25 | 119.5° | 120.0° |
| N24 | C58 | N25 | 120.2° | 120.0° |
| C58 | N24 | H107 | 120.0° | 120.0° |
| 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° | 120.0° |
| H109 | N25 | H110 | 120.0° | 120.1° |
| C59 | N26 | H111 | 119.2° | 118.6° |
| N26 | C59 | C60 | 108.8° | 109.8° |
| N26 | C59 | C61 | 111.4° | 110.3° |
| N26 | C59 | H112 | 109.0° | 109.9° |
| C59 | N26 | C54 | 121.5° | 121.7° |
| H111 | N26 | C54 | 119.3° | 119.8° |
| C60 | C59 | C61 | 111.6° | 108.4° |
| C60 | C59 | H112 | 108.1° | 109.0° |
| C59 | C60 | O14 | 121.2° | 120.9° |
| C59 | C60 | N27 | 115.4° | 118.1° |
| C61 | C59 | H112 | 107.9° | 109.4° |
| C59 | C61 | S2 | 114.2° | 110.4° |
| C59 | C61 | H113 | 108.3° | 109.2° |
| C59 | C61 | H114 | 108.3° | 109.3° |
| O14 | C60 | N27 | 123.4° | 121.0° |
| S2 | C61 | H113 | 108.3° | 109.3° |
| S2 | C61 | H114 | 108.2° | 109.4° |
| C61 | S2 | S1 | 104.7° | 103.0° |
| H113 | C61 | H114 | 109.5° | 109.2° |
| C62 | N27 | H115 | 118.5° | 119.2° |
| N27 | C62 | C63 | 108.4° | 108.6° |
| N27 | C62 | C64 | 111.3° | 109.6° |
| N27 | C62 | H116 | 110.5° | 110.1° |
| C62 | N27 | C60 | 123.0° | 121.5° |
| H115 | N27 | C60 | 118.5° | 119.3° |
| C63 | C62 | C64 | 108.3° | 109.4° |
| C63 | C62 | H116 | 109.4° | 109.4° |
| C62 | C63 | O15 | 120.3° | 119.2° |
| C62 | C63 | N28 | 116.8° | 120.6° |
| C64 | C62 | H116 | 108.9° | 109.6° |
| C62 | C64 | C65 | 111.4° | 109.5° |
| C62 | C64 | C66 | 112.0° | 109.5° |
| C62 | C64 | H117 | 107.3° | 109.5° |
| O15 | C63 | N28 | 123.0° | 120.1° |
| C65 | C64 | C66 | 110.5° | 109.5° |
| C65 | C64 | H117 | 107.8° | 109.4° |
| C64 | C65 | H118 | 109.5° | 109.5° |
| C64 | C65 | H119 | 109.5° | 109.5° |
| C64 | C65 | H120 | 109.5° | 109.4° |
| C66 | C64 | H117 | 107.7° | 109.5° |
| C64 | C66 | H121 | 109.5° | 109.5° |
| C64 | C66 | H122 | 109.5° | 109.5° |
| C64 | C66 | H123 | 109.5° | 109.5° |
| H118 | C65 | H119 | 109.5° | 109.5° |
| H118 | C65 | H120 | 109.4° | 109.4° |
| H119 | C65 | H120 | 109.5° | 109.5° |
| H121 | C66 | H122 | 109.5° | 109.5° |
| H121 | C66 | H123 | 109.5° | 109.5° |
| H122 | C66 | H123 | 109.5° | 109.4° |
| C67 | N28 | H124 | 119.4° | 120.5° |
| N28 | C67 | C68 | 110.3° | 109.8° |
| N28 | C67 | C69 | 111.9° | 109.5° |
| N28 | C67 | H125 | 108.2° | 109.3° |
| C67 | N28 | C63 | 121.1° | 118.8° |
| H124 | N28 | C63 | 119.5° | 120.7° |
| C68 | C67 | C69 | 112.3° | 110.2° |
| C68 | C67 | H125 | 107.1° | 108.9° |
| C67 | C68 | O16 | 121.6° | 118.7° |
| C67 | C68 | N29 | 115.6° | 121.4° |
| C69 | C67 | H125 | 106.9° | 109.1° |
| C67 | C69 | C70 | 115.6° | 109.5° |
| C67 | C69 | H126 | 107.9° | 109.5° |
| C67 | C69 | H127 | 107.9° | 109.5° |
| O16 | C68 | N29 | 122.7° | 120.0° |
| C70 | C69 | H126 | 107.9° | 109.5° |
| C70 | C69 | H127 | 107.9° | 109.5° |
| C69 | C70 | H128 | 109.5° | 109.5° |
| C69 | C70 | H129 | 109.5° | 109.4° |
| C69 | C70 | H130 | 109.5° | 109.4° |
| H126 | C69 | H127 | 109.5° | 109.4° |
| H128 | C70 | H129 | 109.5° | 109.5° |
| H128 | C70 | H130 | 109.4° | 109.5° |
| H129 | C70 | H130 | 109.5° | 109.5° |
| C71 | N29 | H131 | 118.8° | 118.2° |
| N29 | C71 | C72 | 108.6° | 108.4° |
| N29 | C71 | C73 | 110.8° | 109.8° |
| N29 | C71 | H132 | 109.7° | 110.6° |
| C71 | N29 | C68 | 122.3° | 122.8° |
| H131 | N29 | C68 | 118.8° | 118.9° |
| C72 | C71 | C73 | 110.7° | 108.7° |
| C72 | C71 | H132 | 108.7° | 109.6° |
| C71 | C72 | O17 | 120.6° | 119.4° |
| C71 | C72 | N33 | 115.2° | 120.7° |
| C73 | C71 | H132 | 108.3° | 109.8° |
| C71 | C73 | C74 | 114.5° | 109.4° |
| C71 | C73 | H133 | 108.2° | 109.5° |
| C71 | C73 | H134 | 108.2° | 109.4° |
| O17 | C72 | N33 | 124.0° | 119.9° |
| C74 | C73 | H133 | 108.2° | 109.5° |
| C74 | C73 | H134 | 108.2° | 109.5° |
| C73 | C74 | C75 | 112.8° | 109.4° |
| C73 | C74 | H135 | 108.6° | 109.5° |
| C73 | C74 | H136 | 108.6° | 109.5° |
| H133 | C73 | H134 | 109.5° | 109.5° |
| C75 | C74 | H135 | 108.7° | 109.4° |
| C75 | C74 | H136 | 108.6° | 109.5° |
| C74 | C75 | N30 | 113.0° | 109.5° |
| C74 | C75 | H137 | 108.6° | 109.5° |
| C74 | C75 | H138 | 108.5° | 109.5° |
| H135 | C74 | H136 | 109.5° | 109.5° |
| N30 | C75 | H137 | 108.6° | 109.5° |
| N30 | C75 | H138 | 108.6° | 109.4° |
| C75 | N30 | C76 | 124.7° | 120.0° |
| C75 | N30 | H139 | 117.6° | 119.9° |
| H137 | C75 | H138 | 109.5° | 109.4° |
| C76 | N30 | H139 | 117.7° | 120.0° |
| N30 | C76 | N31 | 120.5° | 120.0° |
| N30 | C76 | N32 | 120.2° | 120.0° |
| N31 | C76 | N32 | 119.3° | 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 | 117.8° | 119.7° |
| N33 | C77 | C78 | 110.7° | 109.6° |
| N33 | C77 | C79 | 111.2° | 109.6° |
| N33 | C77 | H145 | 107.5° | 109.5° |
| C77 | N33 | C72 | 124.4° | 119.9° |
| H144 | N33 | C72 | 117.8° | 120.4° |
| C78 | C77 | C79 | 114.1° | 109.4° |
| C78 | C77 | H145 | 106.6° | 109.3° |
| C77 | C78 | O18 | 122.6° | 120.1° |
| C77 | C78 | N1 | 115.0° | 119.7° |
| C79 | C77 | H145 | 106.3° | 109.4° |
| C77 | C79 | C80 | 116.0° | 109.5° |
| C77 | C79 | H146 | 107.8° | 109.4° |
| C77 | C79 | H147 | 107.8° | 109.5° |
| O18 | C78 | N1 | 122.5° | 120.2° |
| C80 | C79 | H146 | 107.8° | 109.5° |
| C80 | C79 | H147 | 107.8° | 109.5° |
| C79 | C80 | C81 | 112.3° | 109.5° |
| C79 | C80 | H148 | 108.8° | 109.5° |
| C79 | C80 | H149 | 108.8° | 109.5° |
| H146 | C79 | H147 | 109.5° | 109.5° |
| C81 | C80 | H148 | 108.7° | 109.5° |
| C81 | C80 | H149 | 108.8° | 109.4° |
| C80 | C81 | N34 | 113.2° | 109.5° |
| C80 | C81 | H150 | 108.5° | 109.4° |
| C80 | C81 | H151 | 108.5° | 109.4° |
| H148 | C80 | H149 | 109.5° | 109.5° |
| N34 | C81 | H150 | 108.5° | 109.5° |
| N34 | C81 | H151 | 108.5° | 109.5° |
| C81 | N34 | C82 | 124.9° | 120.0° |
| C81 | N34 | H152 | 117.5° | 120.0° |
| H150 | C81 | H151 | 109.5° | 109.5° |
| C82 | N34 | H152 | 117.6° | 120.0° |
| N34 | C82 | N35 | 120.5° | 120.0° |
| N34 | C82 | N36 | 119.6° | 120.0° |
| N35 | C82 | N36 | 120.0° | 120.0° |
| C82 | N35 | H153 | 120.0° | 120.0° |
| 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° | 119.9° |
| 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° | 179.7° |
| N1 | C1 | C2 | H2 | 120.6° | 120.2° |
| N1 | C1 | C2 | H3 | 120.6° | 120.2° |
| N1 | C1 | H2 | H3 | 118.3° | 120.2° |
| N1 | C1 | C2 | O1 | 161.5° | 8.4° |
| C1 | N1 | C78 | C77 | 179.3° | 178.5° |
| C1 | N1 | C78 | O18 | 1.6° | 1.8° |
| N1 | C1 | C2 | N2 | 18.5° | 171.8° |
| H1 | N1 | C1 | C2 | 91.7° | 85.4° |
| H1 | N1 | C1 | H2 | 28.9° | 34.6° |
| H1 | N1 | C1 | H3 | 147.7° | 154.6° |
| H1 | N1 | C78 | C77 | 0.7° | 1.8° |
| H1 | N1 | C78 | O18 | 178.4° | 177.9° |
| C2 | C1 | H2 | H3 | 118.3° | 119.6° |
| C1 | C2 | O1 | N2 | 180.0° | 179.8° |
| C1 | C2 | N2 | C3 | 179.0° | 178.5° |
| C1 | C2 | N2 | H4 | 1.0° | 1.2° |
| C2 | C1 | N1 | C78 | 88.3° | 94.3° |
| H2 | C1 | C2 | O1 | 41.0° | 111.8° |
| H2 | C1 | N1 | C78 | 151.1° | 145.7° |
| H2 | C1 | C2 | N2 | 139.0° | 68.0° |
| H3 | C1 | C2 | O1 | 77.9° | 128.6° |
| H3 | C1 | N1 | C78 | 32.3° | 25.7° |
| H3 | C1 | C2 | N2 | 102.1° | 51.7° |
| O1 | C2 | N2 | C3 | 1.0° | 1.7° |
| O1 | C2 | N2 | H4 | 179.0° | 178.6° |
| C3 | N2 | H4 | C2 | 180.0° | 179.7° |
| N2 | C3 | C4 | C5 | 122.8° | 121.9° |
| N2 | C3 | C4 | H5 | 119.3° | 119.3° |
| N2 | C3 | C5 | H5 | 120.5° | 119.0° |
| N2 | C3 | C4 | O2 | 71.5° | 6.2° |
| N2 | C3 | C5 | C6 | 178.5° | 179.3° |
| N2 | C3 | C5 | C7 | 55.3° | 60.8° |
| N2 | C3 | C5 | H6 | 63.0° | 59.3° |
| N2 | C3 | C4 | N3 | 104.7° | 173.3° |
| H4 | N2 | C3 | C4 | 92.8° | 122.1° |
| H4 | N2 | C3 | C5 | 28.9° | 116.0° |
| H4 | N2 | C3 | H5 | 148.5° | 3.0° |
| C4 | C3 | C5 | H5 | 118.2° | 118.7° |
| C3 | C4 | O2 | N3 | 175.9° | 179.6° |
| C4 | C3 | C5 | C6 | 60.2° | 57.0° |
| C4 | C3 | C5 | C7 | 176.6° | 176.9° |
| C4 | C3 | C5 | H6 | 58.4° | 63.1° |
| C3 | C4 | N3 | C8 | 176.7° | 179.5° |
| C3 | C4 | N3 | H13 | 3.4° | 0.9° |
| C4 | C3 | N2 | C2 | 87.2° | 58.2° |
| C5 | C3 | C4 | O2 | 51.3° | 115.7° |
| C3 | C5 | C6 | C7 | 123.4° | 120.0° |
| C3 | C5 | C6 | H6 | 118.3° | 120.0° |
| C3 | C5 | C7 | H6 | 118.0° | 120.1° |
| C3 | C5 | C6 | H7 | 180.0° | 49.6° |
| C3 | C5 | C6 | H8 | 60.0° | 169.7° |
| C3 | C5 | C6 | H9 | 60.0° | 70.4° |
| C3 | C5 | C7 | H10 | 180.0° | 65.8° |
| C3 | C5 | C7 | H11 | 60.0° | 174.2° |
| C3 | C5 | C7 | H12 | 60.0° | 54.1° |
| C5 | C3 | N2 | C2 | 151.0° | 63.7° |
| C5 | C3 | C4 | N3 | 132.5° | 64.7° |
| H5 | C3 | C4 | O2 | 169.2° | 125.5° |
| H5 | C3 | C5 | C6 | 58.0° | 61.7° |
| H5 | C3 | C5 | C7 | 65.2° | 58.2° |
| H5 | C3 | C5 | H6 | 176.5° | 178.3° |
| H5 | C3 | N2 | C2 | 31.5° | 177.3° |
| H5 | C3 | C4 | N3 | 14.6° | 54.0° |
| O2 | C4 | N3 | C8 | 7.3° | 0.9° |
| O2 | C4 | N3 | H13 | 172.7° | 178.6° |
| C6 | C5 | C7 | H6 | 118.2° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.1° |
| C5 | C6 | H7 | H9 | 120.0° | 119.9° |
| C5 | C6 | H8 | H9 | 120.0° | 119.9° |
| C6 | C5 | C7 | H10 | 56.2° | 174.2° |
| C6 | C5 | C7 | H11 | 63.8° | 54.2° |
| C6 | C5 | C7 | H12 | 176.2° | 65.9° |
| C7 | C5 | C6 | H7 | 56.6° | 70.4° |
| C7 | C5 | C6 | H8 | 176.6° | 49.7° |
| C7 | C5 | C6 | H9 | 63.4° | 169.6° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.1° |
| H6 | C5 | C6 | H7 | 61.7° | 169.6° |
| H6 | C5 | C6 | H8 | 58.3° | 70.3° |
| H6 | C5 | C6 | H9 | 178.3° | 49.6° |
| H6 | C5 | C7 | H10 | 62.0° | 54.2° |
| H6 | C5 | C7 | H11 | 178.0° | 65.8° |
| H6 | C5 | C7 | H12 | 58.0° | 174.2° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C7 | H11 | H12 | 119.9° | 120.0° |
| C8 | N3 | H13 | C4 | 180.0° | 179.6° |
| N3 | C8 | C9 | C10 | 121.6° | 119.7° |
| N3 | C8 | C9 | H14 | 119.1° | 120.6° |
| N3 | C8 | C10 | H14 | 120.7° | 119.9° |
| N3 | C8 | C9 | O3 | 67.2° | 49.8° |
| N3 | C8 | C10 | C11 | 177.7° | 65.0° |
| N3 | C8 | C10 | H15 | 57.0° | 55.0° |
| N3 | C8 | C10 | H16 | 61.6° | 175.0° |
| N3 | C8 | C9 | N4 | 109.5° | 130.4° |
| H13 | N3 | C8 | C9 | 105.3° | 36.0° |
| H13 | N3 | C8 | C10 | 16.3° | 83.7° |
| H13 | N3 | C8 | H14 | 136.2° | 156.6° |
| C9 | C8 | C10 | H14 | 119.5° | 119.9° |
| C8 | C9 | O3 | N4 | 176.5° | 179.7° |
| C9 | C8 | C10 | C11 | 62.4° | 174.7° |
| C9 | C8 | C10 | H15 | 176.9° | 65.3° |
| C9 | C8 | C10 | H16 | 58.2° | 54.7° |
| C8 | C9 | N4 | C12 | 177.2° | 179.3° |
| C8 | C9 | N4 | H20 | 2.8° | 0.5° |
| C9 | C8 | N3 | C4 | 74.7° | 144.4° |
| C10 | C8 | C9 | O3 | 54.3° | 69.9° |
| C8 | C10 | C11 | H15 | 120.7° | 120.0° |
| C8 | C10 | C11 | H16 | 120.7° | 120.0° |
| C8 | C10 | H15 | H16 | 117.9° | 120.0° |
| C8 | C10 | C11 | H17 | 180.0° | 60.0° |
| C8 | C10 | C11 | H18 | 60.0° | 180.0° |
| C8 | C10 | C11 | H19 | 60.0° | 60.0° |
| C10 | C8 | N3 | C4 | 163.7° | 95.8° |
| C10 | C8 | C9 | N4 | 128.9° | 109.9° |
| H14 | C8 | C9 | O3 | 173.7° | 170.5° |
| H14 | C8 | C10 | C11 | 57.0° | 54.8° |
| H14 | C8 | C10 | H15 | 63.6° | 174.9° |
| H14 | C8 | C10 | H16 | 177.7° | 65.1° |
| H14 | C8 | N3 | C4 | 43.8° | 23.8° |
| H14 | C8 | C9 | N4 | 9.6° | 9.8° |
| O3 | C9 | N4 | C12 | 0.5° | 0.9° |
| O3 | C9 | N4 | H20 | 179.4° | 179.2° |
| C11 | C10 | H15 | H16 | 117.9° | 120.0° |
| C10 | C11 | H17 | H18 | 120.0° | 120.1° |
| C10 | C11 | H17 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| H15 | C10 | C11 | H17 | 59.3° | 60.0° |
| H15 | C10 | C11 | H18 | 179.4° | 60.0° |
| H15 | C10 | C11 | H19 | 60.7° | 180.0° |
| H16 | C10 | C11 | H17 | 59.3° | 180.0° |
| H16 | C10 | C11 | H18 | 60.7° | 60.0° |
| H16 | C10 | C11 | H19 | 179.3° | 60.0° |
| H17 | C11 | H18 | H19 | 119.9° | 119.9° |
| C12 | N4 | H20 | C9 | 180.0° | 179.8° |
| N4 | C12 | C13 | C14 | 122.4° | 121.5° |
| N4 | C12 | C13 | H21 | 119.5° | 120.1° |
| N4 | C12 | C14 | H21 | 118.8° | 118.7° |
| N4 | C12 | C13 | O4 | 51.6° | 116.1° |
| N4 | C12 | C14 | C15 | 177.8° | 67.1° |
| N4 | C12 | C14 | H22 | 61.5° | 52.9° |
| N4 | C12 | C14 | H23 | 57.0° | 172.9° |
| N4 | C12 | C13 | N8 | 125.9° | 64.0° |
| H20 | N4 | C12 | C13 | 62.8° | 27.8° |
| H20 | N4 | C12 | C14 | 60.3° | 93.6° |
| H20 | N4 | C12 | H21 | 178.3° | 147.8° |
| C13 | C12 | C14 | H21 | 118.3° | 118.5° |
| C12 | C13 | O4 | N8 | 177.3° | 179.9° |
| C13 | C12 | C14 | C15 | 54.9° | 170.0° |
| C13 | C12 | C14 | H22 | 175.7° | 69.9° |
| C13 | C12 | C14 | H23 | 65.9° | 50.0° |
| C12 | C13 | N8 | C18 | 176.2° | 172.9° |
| C12 | C13 | N8 | H33 | 3.7° | 7.0° |
| C13 | C12 | N4 | C9 | 117.3° | 152.4° |
| C14 | C12 | C13 | O4 | 70.7° | 122.4° |
| C12 | C14 | C15 | H22 | 120.8° | 120.0° |
| C12 | C14 | C15 | H23 | 120.8° | 120.0° |
| C12 | C14 | H22 | H23 | 117.6° | 120.0° |
| C12 | C14 | C15 | C16 | 178.8° | 176.3° |
| C12 | C14 | C15 | H24 | 61.0° | 56.3° |
| C12 | C14 | C15 | H25 | 58.6° | 63.7° |
| C14 | C12 | N4 | C9 | 119.7° | 86.2° |
| C14 | C12 | C13 | N8 | 111.8° | 57.5° |
| H21 | C12 | C13 | O4 | 171.1° | 4.0° |
| H21 | C12 | C14 | C15 | 63.4° | 51.6° |
| H21 | C12 | C14 | H22 | 57.4° | 171.6° |
| H21 | C12 | C14 | H23 | 175.8° | 68.4° |
| H21 | C12 | N4 | C9 | 1.6° | 32.4° |
| H21 | C12 | C13 | N8 | 6.4° | 175.9° |
| O4 | C13 | N8 | C18 | 6.4° | 7.0° |
| O4 | C13 | N8 | H33 | 173.7° | 173.1° |
| C15 | C14 | H22 | H23 | 117.5° | 120.0° |
| C14 | C15 | C16 | H24 | 120.2° | 120.0° |
| C14 | C15 | C16 | H25 | 120.2° | 120.0° |
| C14 | C15 | H24 | H25 | 119.4° | 120.0° |
| C14 | C15 | C16 | N5 | 66.5° | 176.6° |
| C14 | C15 | C16 | H26 | 53.8° | 63.3° |
| C14 | C15 | C16 | H27 | 173.1° | 56.6° |
| H22 | C14 | C15 | C16 | 58.0° | 63.7° |
| H22 | C14 | C15 | H24 | 178.2° | 176.3° |
| H22 | C14 | C15 | H25 | 62.2° | 56.3° |
| H23 | C14 | C15 | C16 | 60.4° | 56.3° |
| H23 | C14 | C15 | H24 | 59.8° | 63.7° |
| H23 | C14 | C15 | H25 | 179.4° | 176.3° |
| C16 | C15 | H24 | H25 | 119.4° | 119.9° |
| C15 | C16 | N5 | H26 | 120.4° | 120.0° |
| C15 | C16 | N5 | H27 | 120.3° | 120.0° |
| C15 | C16 | H26 | H27 | 118.9° | 119.9° |
| C15 | C16 | N5 | C17 | 143.8° | 174.4° |
| C15 | C16 | N5 | H28 | 36.3° | 5.7° |
| H24 | C15 | C16 | N5 | 173.3° | 56.6° |
| H24 | C15 | C16 | H26 | 66.4° | 176.6° |
| H24 | C15 | C16 | H27 | 52.9° | 63.4° |
| H25 | C15 | C16 | N5 | 53.7° | 63.4° |
| H25 | C15 | C16 | H26 | 174.0° | 56.6° |
| H25 | C15 | C16 | H27 | 66.7° | 176.6° |
| N5 | C16 | H26 | H27 | 118.9° | 120.0° |
| C16 | N5 | C17 | H28 | 180.0° | 179.9° |
| C16 | N5 | C17 | N6 | 4.8° | 0.0° |
| C16 | N5 | C17 | N7 | 175.5° | 180.0° |
| H26 | C16 | N5 | C17 | 23.4° | 65.6° |
| H26 | C16 | N5 | H28 | 156.6° | 114.3° |
| H27 | C16 | N5 | C17 | 95.9° | 54.4° |
| H27 | C16 | N5 | H28 | 84.1° | 125.7° |
| N5 | C17 | N6 | N7 | 179.7° | 180.0° |
| N5 | C17 | N6 | H29 | 179.7° | 0.0° |
| N5 | C17 | N6 | H30 | 0.3° | 180.0° |
| N5 | C17 | N7 | H31 | 179.7° | 180.0° |
| N5 | C17 | N7 | H32 | 0.3° | 0.1° |
| H28 | N5 | C17 | N6 | 175.2° | 180.0° |
| H28 | N5 | C17 | N7 | 4.5° | 0.1° |
| C17 | N6 | H29 | H30 | 179.9° | 180.0° |
| N6 | C17 | N7 | H31 | 0.0° | 0.0° |
| N6 | C17 | N7 | H32 | 180.0° | 180.0° |
| N7 | C17 | N6 | H29 | 0.0° | 180.0° |
| N7 | C17 | N6 | H30 | 180.0° | 0.0° |
| C17 | N7 | H31 | H32 | 180.0° | 180.0° |
| C18 | N8 | H33 | C13 | 180.0° | 179.9° |
| N8 | C18 | C19 | C20 | 123.2° | 120.8° |
| N8 | C18 | C19 | H34 | 118.4° | 120.6° |
| N8 | C18 | C20 | H34 | 119.5° | 119.5° |
| N8 | C18 | C19 | O5 | 61.1° | 25.8° |
| N8 | C18 | C20 | S1 | 56.9° | 49.7° |
| N8 | C18 | C20 | H35 | 63.8° | 70.2° |
| N8 | C18 | C20 | H36 | 177.5° | 169.7° |
| N8 | C18 | C19 | N9 | 115.3° | 154.1° |
| H33 | N8 | C18 | C19 | 81.6° | 85.7° |
| H33 | N8 | C18 | C20 | 41.9° | 35.3° |
| H33 | N8 | C18 | H34 | 160.7° | 154.1° |
| C19 | C18 | C20 | H34 | 118.5° | 118.8° |
| C18 | C19 | O5 | N9 | 176.1° | 179.9° |
| C19 | C18 | C20 | S1 | 178.8° | 171.3° |
| C19 | C18 | C20 | H35 | 58.2° | 51.4° |
| C19 | C18 | C20 | H36 | 60.5° | 68.6° |
| C18 | C19 | N9 | C21 | 178.2° | 175.8° |
| C18 | C19 | N9 | H37 | 1.8° | 4.4° |
| C19 | C18 | N8 | C13 | 98.4° | 94.4° |
| C20 | C18 | C19 | O5 | 62.1° | 146.7° |
| C18 | C20 | S1 | H35 | 120.7° | 119.9° |
| C18 | C20 | S1 | H36 | 120.7° | 120.2° |
| C18 | C20 | H35 | H36 | 118.0° | 120.2° |
| C20 | C18 | N8 | C13 | 138.1° | 144.6° |
| C20 | C18 | C19 | N9 | 121.4° | 33.3° |
| C18 | C20 | S1 | S2 | 89.6° | 152.9° |
| H34 | C18 | C19 | O5 | 179.5° | 94.8° |
| H34 | C18 | C20 | S1 | 62.7° | 69.8° |
| H34 | C18 | C20 | H35 | 176.6° | 170.3° |
| H34 | C18 | C20 | H36 | 58.0° | 50.2° |
| H34 | C18 | N8 | C13 | 19.3° | 25.8° |
| H34 | C18 | C19 | N9 | 3.0° | 85.2° |
| O5 | C19 | N9 | C21 | 1.8° | 4.3° |
| O5 | C19 | N9 | H37 | 178.2° | 175.5° |
| S1 | C20 | H35 | H36 | 117.9° | 120.0° |
| C20 | S1 | S2 | C61 | 105.4° | 105.7° |
| H35 | C20 | S1 | S2 | 149.7° | 87.3° |
| H36 | C20 | S1 | S2 | 31.1° | 32.7° |
| C21 | N9 | H37 | C19 | 180.0° | 179.8° |
| N9 | C21 | C22 | C23 | 120.9° | 119.7° |
| N9 | C21 | C22 | H38 | 120.5° | 120.2° |
| N9 | C21 | C23 | H38 | 122.4° | 119.9° |
| N9 | C21 | C22 | O6 | 44.3° | 8.4° |
| N9 | C21 | C23 | C24 | 172.5° | 64.8° |
| N9 | C21 | C23 | C25 | 47.9° | 55.2° |
| N9 | C21 | C23 | H39 | 69.9° | 175.3° |
| N9 | C21 | C22 | N10 | 134.4° | 171.6° |
| H37 | N9 | C21 | C22 | 66.4° | 43.6° |
| H37 | N9 | C21 | C23 | 52.4° | 76.5° |
| H37 | N9 | C21 | H38 | 173.8° | 163.5° |
| C22 | C21 | C23 | H38 | 119.0° | 119.9° |
| C21 | C22 | O6 | N10 | 178.6° | 180.0° |
| C22 | C21 | C23 | C24 | 68.9° | 175.0° |
| C22 | C21 | C23 | C25 | 166.5° | 65.0° |
| C22 | C21 | C23 | H39 | 48.7° | 55.0° |
| C21 | C22 | N10 | C26 | 177.1° | 178.4° |
| C21 | C22 | N10 | H46 | 2.9° | 1.1° |
| C22 | C21 | N9 | C19 | 113.6° | 136.2° |
| C23 | C21 | C22 | O6 | 76.6° | 128.1° |
| C21 | C23 | C24 | C25 | 125.2° | 120.0° |
| C21 | C23 | C24 | H39 | 117.3° | 120.0° |
| C21 | C23 | C25 | H39 | 117.5° | 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° | 55.1° |
| C21 | C23 | C25 | H44 | 60.0° | 64.9° |
| C21 | C23 | C25 | H45 | 60.0° | 175.2° |
| C23 | C21 | N9 | C19 | 127.6° | 103.7° |
| C23 | C21 | C22 | N10 | 104.7° | 51.9° |
| H38 | C21 | C22 | O6 | 164.8° | 111.7° |
| H38 | C21 | C23 | C24 | 50.1° | 55.1° |
| H38 | C21 | C23 | C25 | 74.5° | 175.1° |
| H38 | C21 | C23 | H39 | 167.7° | 64.8° |
| H38 | C21 | N9 | C19 | 6.2° | 16.2° |
| H38 | C21 | C22 | N10 | 13.9° | 68.2° |
| O6 | C22 | N10 | C26 | 4.2° | 1.6° |
| O6 | C22 | N10 | H46 | 175.8° | 178.9° |
| C24 | C23 | C25 | H39 | 117.4° | 119.9° |
| C23 | C24 | H40 | H41 | 120.0° | 120.0° |
| C23 | C24 | H40 | H42 | 120.0° | 120.1° |
| C23 | C24 | H41 | H42 | 120.0° | 120.0° |
| C24 | C23 | C25 | H43 | 55.0° | 64.8° |
| C24 | C23 | C25 | H44 | 65.1° | 175.2° |
| C24 | C23 | C25 | H45 | 175.0° | 55.2° |
| C25 | C23 | C24 | H40 | 54.7° | 60.0° |
| C25 | C23 | C24 | H41 | 174.8° | 60.0° |
| C25 | C23 | C24 | H42 | 65.3° | 180.0° |
| C23 | C25 | H43 | H44 | 120.0° | 120.0° |
| C23 | C25 | H43 | H45 | 120.0° | 120.0° |
| C23 | C25 | H44 | H45 | 120.0° | 120.0° |
| H39 | C23 | C24 | H40 | 62.7° | 180.0° |
| H39 | C23 | C24 | H41 | 57.4° | 60.0° |
| H39 | C23 | C24 | H42 | 177.3° | 60.0° |
| H39 | C23 | C25 | H43 | 62.4° | 175.2° |
| H39 | C23 | C25 | H44 | 177.5° | 55.2° |
| H39 | C23 | C25 | H45 | 57.6° | 64.8° |
| H40 | C24 | H41 | H42 | 120.0° | 120.0° |
| H43 | C25 | H44 | H45 | 120.0° | 120.0° |
| C26 | N10 | H46 | C22 | 180.0° | 179.5° |
| N10 | C26 | C27 | C28 | 121.8° | 119.6° |
| N10 | C26 | C27 | H47 | 119.1° | 120.3° |
| N10 | C26 | C28 | H47 | 120.7° | 120.0° |
| N10 | C26 | C27 | O7 | 62.1° | 10.8° |
| N10 | C26 | C28 | C29 | 61.8° | 65.1° |
| N10 | C26 | C28 | H48 | 58.8° | 54.9° |
| N10 | C26 | C28 | H49 | 177.6° | 175.0° |
| N10 | C26 | C27 | N11 | 112.7° | 170.2° |
| H46 | N10 | C26 | C27 | 96.0° | 63.5° |
| H46 | N10 | C26 | C28 | 25.8° | 56.4° |
| H46 | N10 | C26 | H47 | 145.6° | 176.4° |
| C27 | C26 | C28 | H47 | 119.2° | 120.0° |
| C26 | C27 | O7 | N11 | 174.4° | 178.9° |
| C27 | C26 | C28 | C29 | 178.0° | 175.0° |
| C27 | C26 | C28 | H48 | 61.3° | 65.0° |
| C27 | C26 | C28 | H49 | 57.4° | 55.1° |
| C26 | C27 | N11 | C30 | 179.6° | 176.3° |
| C26 | C27 | N11 | H53 | 0.4° | 5.0° |
| C27 | C26 | N10 | C22 | 84.0° | 117.0° |
| C28 | C26 | C27 | O7 | 59.7° | 130.4° |
| C26 | C28 | C29 | H48 | 120.6° | 120.0° |
| C26 | C28 | C29 | H49 | 120.6° | 119.9° |
| C26 | C28 | H48 | H49 | 118.0° | 120.0° |
| C26 | C28 | C29 | H50 | 180.0° | 180.0° |
| C26 | C28 | C29 | H51 | 60.0° | 60.0° |
| C26 | C28 | C29 | H52 | 60.0° | 60.0° |
| C28 | C26 | N10 | C22 | 154.2° | 123.1° |
| C28 | C26 | C27 | N11 | 125.5° | 50.6° |
| H47 | C26 | C27 | O7 | 178.8° | 109.5° |
| H47 | C26 | C28 | C29 | 58.8° | 55.0° |
| H47 | C26 | C28 | H48 | 179.5° | 175.0° |
| H47 | C26 | C28 | H49 | 61.8° | 65.0° |
| H47 | C26 | N10 | C22 | 34.4° | 3.1° |
| H47 | C26 | C27 | N11 | 6.4° | 69.5° |
| O7 | C27 | N11 | C30 | 5.7° | 4.8° |
| O7 | C27 | N11 | H53 | 174.3° | 173.9° |
| C29 | C28 | H48 | H49 | 118.1° | 120.0° |
| C28 | C29 | H50 | H51 | 120.0° | 120.1° |
| C28 | C29 | H50 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| H48 | C28 | C29 | H50 | 59.4° | 60.0° |
| H48 | C28 | C29 | H51 | 179.4° | 180.0° |
| H48 | C28 | C29 | H52 | 60.6° | 60.0° |
| H49 | C28 | C29 | H50 | 59.4° | 60.1° |
| H49 | C28 | C29 | H51 | 60.6° | 60.0° |
| H49 | C28 | C29 | H52 | 179.4° | 179.9° |
| H50 | C29 | H51 | H52 | 120.0° | 119.9° |
| C30 | N11 | H53 | C27 | 180.0° | 178.7° |
| N11 | C30 | C31 | C32 | 122.3° | 122.7° |
| N11 | C30 | C31 | H54 | 119.2° | 118.6° |
| N11 | C30 | C32 | H54 | 120.2° | 119.2° |
| N11 | C30 | C31 | O8 | 78.6° | 85.4° |
| N11 | C30 | C32 | C33 | 63.9° | 65.0° |
| N11 | C30 | C32 | H55 | 57.0° | 55.0° |
| N11 | C30 | C32 | H56 | 175.2° | 175.0° |
| N11 | C30 | C31 | N15 | 98.5° | 95.3° |
| H53 | N11 | C30 | C31 | 67.3° | 114.2° |
| H53 | N11 | C30 | C32 | 54.7° | 123.6° |
| H53 | N11 | C30 | H54 | 174.0° | 4.4° |
| C31 | C30 | C32 | H54 | 118.9° | 118.6° |
| C30 | C31 | O8 | N15 | 176.9° | 179.3° |
| C31 | C30 | C32 | C33 | 175.1° | 172.8° |
| C31 | C30 | C32 | H55 | 64.0° | 67.3° |
| C31 | C30 | C32 | H56 | 54.3° | 52.7° |
| C30 | C31 | N15 | C36 | 179.1° | 168.8° |
| C30 | C31 | N15 | H66 | 0.9° | 11.4° |
| C31 | C30 | N11 | C27 | 112.7° | 64.5° |
| C32 | C30 | C31 | O8 | 43.6° | 37.3° |
| C30 | C32 | C33 | H55 | 120.9° | 120.0° |
| C30 | C32 | C33 | H56 | 120.9° | 120.0° |
| C30 | C32 | H55 | H56 | 117.3° | 120.0° |
| C30 | C32 | C33 | C34 | 66.3° | 180.0° |
| C30 | C32 | C33 | H57 | 54.2° | 60.0° |
| C30 | C32 | C33 | H58 | 173.2° | 60.0° |
| C32 | C30 | N11 | C27 | 125.3° | 57.8° |
| C32 | C30 | C31 | N15 | 139.2° | 142.0° |
| H54 | C30 | C31 | O8 | 162.1° | 156.0° |
| H54 | C30 | C32 | C33 | 56.3° | 54.2° |
| H54 | C30 | C32 | H55 | 177.2° | 174.1° |
| H54 | C30 | C32 | H56 | 64.6° | 65.9° |
| H54 | C30 | N11 | C27 | 6.0° | 176.9° |
| H54 | C30 | C31 | N15 | 20.7° | 23.3° |
| O8 | C31 | N15 | C36 | 3.9° | 11.9° |
| O8 | C31 | N15 | H66 | 176.1° | 167.9° |
| C33 | C32 | H55 | H56 | 117.3° | 120.0° |
| C32 | C33 | C34 | H57 | 120.5° | 120.0° |
| C32 | C33 | C34 | H58 | 120.5° | 120.0° |
| C32 | C33 | H57 | H58 | 118.4° | 120.0° |
| C32 | C33 | C34 | N12 | 67.7° | 180.0° |
| C32 | C33 | C34 | H59 | 171.6° | 60.0° |
| C32 | C33 | C34 | H60 | 52.9° | 59.9° |
| H55 | C32 | C33 | C34 | 172.8° | 60.0° |
| H55 | C32 | C33 | H57 | 66.6° | 180.0° |
| H55 | C32 | C33 | H58 | 52.3° | 60.0° |
| H56 | C32 | C33 | C34 | 54.6° | 60.0° |
| H56 | C32 | C33 | H57 | 175.1° | 60.0° |
| H56 | C32 | C33 | H58 | 65.9° | 180.0° |
| C34 | C33 | H57 | H58 | 118.4° | 120.0° |
| C33 | C34 | N12 | H59 | 120.6° | 120.0° |
| C33 | C34 | N12 | H60 | 120.6° | 120.1° |
| C33 | C34 | H59 | H60 | 118.1° | 120.0° |
| C33 | C34 | N12 | C35 | 178.4° | 180.0° |
| C33 | C34 | N12 | H61 | 1.6° | 0.0° |
| H57 | C33 | C34 | N12 | 52.8° | 60.1° |
| H57 | C33 | C34 | H59 | 67.8° | 180.0° |
| H57 | C33 | C34 | H60 | 173.4° | 60.0° |
| H58 | C33 | C34 | N12 | 171.8° | 60.0° |
| H58 | C33 | C34 | H59 | 51.2° | 60.0° |
| H58 | C33 | C34 | H60 | 67.6° | 180.0° |
| N12 | C34 | H59 | H60 | 118.1° | 120.0° |
| C34 | N12 | C35 | H61 | 180.0° | 179.9° |
| C34 | N12 | C35 | N13 | 0.5° | 0.0° |
| C34 | N12 | C35 | N14 | 179.8° | 180.0° |
| H59 | C34 | N12 | C35 | 61.0° | 60.1° |
| H59 | C34 | N12 | H61 | 119.0° | 120.0° |
| H60 | C34 | N12 | C35 | 57.7° | 59.9° |
| H60 | C34 | N12 | H61 | 122.3° | 120.0° |
| N12 | C35 | N13 | N14 | 179.4° | 180.0° |
| N12 | C35 | N13 | H62 | 179.4° | 0.0° |
| N12 | C35 | N13 | H63 | 0.6° | 180.0° |
| N12 | C35 | N14 | H64 | 179.4° | 0.1° |
| N12 | C35 | N14 | H65 | 0.6° | 180.0° |
| H61 | N12 | C35 | N13 | 179.5° | 180.0° |
| H61 | N12 | C35 | N14 | 0.1° | 0.1° |
| C35 | N13 | H62 | H63 | 180.0° | 180.0° |
| N13 | C35 | N14 | H64 | 0.0° | 180.0° |
| N13 | C35 | N14 | H65 | 180.0° | 0.1° |
| N14 | C35 | N13 | H62 | 0.0° | 180.0° |
| N14 | C35 | N13 | H63 | 180.0° | 0.0° |
| C35 | N14 | H64 | H65 | 180.0° | 179.9° |
| C36 | N15 | H66 | C31 | 180.0° | 179.8° |
| N15 | C36 | C37 | C38 | 123.9° | 118.4° |
| N15 | C36 | C37 | H67 | 117.8° | 120.8° |
| N15 | C36 | C38 | H67 | 117.5° | 120.8° |
| N15 | C36 | C37 | O9 | 125.2° | 17.6° |
| N15 | C36 | C38 | C39 | 173.1° | 61.9° |
| N15 | C36 | C38 | H68 | 52.1° | 178.1° |
| N15 | C36 | C38 | H69 | 66.0° | 58.1° |
| N15 | C36 | C37 | N19 | 51.1° | 162.4° |
| H66 | N15 | C36 | C37 | 126.9° | 5.5° |
| H66 | N15 | C36 | C38 | 107.1° | 113.1° |
| H66 | N15 | C36 | H67 | 9.7° | 126.1° |
| C37 | C36 | C38 | H67 | 118.5° | 120.9° |
| C36 | C37 | O9 | N19 | 176.0° | 179.9° |
| C37 | C36 | C38 | C39 | 62.9° | 56.4° |
| C37 | C36 | C38 | H68 | 176.1° | 63.6° |
| C37 | C36 | C38 | H69 | 58.1° | 176.4° |
| C36 | C37 | N19 | C42 | 179.0° | 0.6° |
| C36 | C37 | N19 | H79 | 1.0° | 179.5° |
| C37 | C36 | N15 | C31 | 53.1° | 174.3° |
| C38 | C36 | C37 | O9 | 1.4° | 100.8° |
| C36 | C38 | C39 | H68 | 121.0° | 120.0° |
| C36 | C38 | C39 | H69 | 121.0° | 120.0° |
| C36 | C38 | H68 | H69 | 116.9° | 120.0° |
| C36 | C38 | C39 | C40 | 166.0° | 174.9° |
| C36 | C38 | C39 | H70 | 73.9° | 54.9° |
| C36 | C38 | C39 | H71 | 45.8° | 65.2° |
| C38 | C36 | N15 | C31 | 72.9° | 67.1° |
| C38 | C36 | C37 | N19 | 175.0° | 79.2° |
| H67 | C36 | C37 | O9 | 117.0° | 138.3° |
| H67 | C36 | C38 | C39 | 55.5° | 177.3° |
| H67 | C36 | C38 | H68 | 65.4° | 57.3° |
| H67 | C36 | C38 | H69 | 176.5° | 62.8° |
| H67 | C36 | N15 | C31 | 170.3° | 53.7° |
| H67 | C36 | C37 | N19 | 66.7° | 41.6° |
| O9 | C37 | N19 | C42 | 4.7° | 179.3° |
| O9 | C37 | N19 | H79 | 175.3° | 0.6° |
| C39 | C38 | H68 | H69 | 117.0° | 120.0° |
| C38 | C39 | C40 | H70 | 120.1° | 120.0° |
| C38 | C39 | C40 | H71 | 120.1° | 120.0° |
| C38 | C39 | H70 | H71 | 119.7° | 120.0° |
| C38 | C39 | C40 | N16 | 61.0° | 175.1° |
| C38 | C39 | C40 | H72 | 59.2° | 64.8° |
| C38 | C39 | C40 | H73 | 178.8° | 55.2° |
| H68 | C38 | C39 | C40 | 45.0° | 65.1° |
| H68 | C38 | C39 | H70 | 165.1° | 174.9° |
| H68 | C38 | C39 | H71 | 75.1° | 54.8° |
| H69 | C38 | C39 | C40 | 73.1° | 54.9° |
| H69 | C38 | C39 | H70 | 47.0° | 65.1° |
| H69 | C38 | C39 | H71 | 166.8° | 174.9° |
| C40 | C39 | H70 | H71 | 119.7° | 120.0° |
| C39 | C40 | N16 | H72 | 120.2° | 120.0° |
| C39 | C40 | N16 | H73 | 120.1° | 120.0° |
| C39 | C40 | H72 | H73 | 119.5° | 120.0° |
| C39 | C40 | N16 | C41 | 153.9° | 175.1° |
| C39 | C40 | N16 | H74 | 26.1° | 5.0° |
| H70 | C39 | C40 | N16 | 178.9° | 55.1° |
| H70 | C39 | C40 | H72 | 60.9° | 175.1° |
| H70 | C39 | C40 | H73 | 58.7° | 64.8° |
| H71 | C39 | C40 | N16 | 59.1° | 64.9° |
| H71 | C39 | C40 | H72 | 179.3° | 55.1° |
| H71 | C39 | C40 | H73 | 61.1° | 175.2° |
| N16 | C40 | H72 | H73 | 119.5° | 120.0° |
| C40 | N16 | C41 | H74 | 180.0° | 179.9° |
| C40 | N16 | C41 | N17 | 3.5° | 5.1° |
| C40 | N16 | C41 | N18 | 176.6° | 174.9° |
| H72 | C40 | N16 | C41 | 33.8° | 64.9° |
| H72 | C40 | N16 | H74 | 146.2° | 115.0° |
| H73 | C40 | N16 | C41 | 85.9° | 55.1° |
| H73 | C40 | N16 | H74 | 94.1° | 125.0° |
| N16 | C41 | N17 | N18 | 180.0° | 180.0° |
| N16 | C41 | N17 | H75 | 179.9° | 0.0° |
| N16 | C41 | N17 | H76 | 0.0° | 179.9° |
| N16 | C41 | N18 | H77 | 180.0° | 175.0° |
| N16 | C41 | N18 | H78 | 0.0° | 5.1° |
| H74 | N16 | C41 | N17 | 176.6° | 174.8° |
| H74 | N16 | C41 | N18 | 3.4° | 5.2° |
| C41 | N17 | H75 | H76 | 180.0° | 179.9° |
| N17 | C41 | N18 | H77 | 0.0° | 5.0° |
| N17 | C41 | N18 | H78 | 180.0° | 174.9° |
| N18 | C41 | N17 | H75 | 0.0° | 180.0° |
| N18 | C41 | N17 | H76 | 180.0° | 0.1° |
| C41 | N18 | H77 | H78 | 180.0° | 179.9° |
| C42 | N19 | H79 | C37 | 180.0° | 179.9° |
| N19 | C42 | C43 | H80 | 120.7° | 119.5° |
| N19 | C42 | C43 | H81 | 120.7° | 120.9° |
| N19 | C42 | H80 | H81 | 117.9° | 121.7° |
| N19 | C42 | C43 | O10 | 150.2° | 64.7° |
| N19 | C42 | C43 | N20 | 28.5° | 115.3° |
| H79 | N19 | C42 | C43 | 89.4° | 29.8° |
| H79 | N19 | C42 | H80 | 31.3° | 89.4° |
| H79 | N19 | C42 | H81 | 150.0° | 149.7° |
| C43 | C42 | H80 | H81 | 117.9° | 119.3° |
| C42 | C43 | O10 | N20 | 178.6° | 180.0° |
| C42 | C43 | N20 | C44 | 176.2° | 175.0° |
| C42 | C43 | N20 | H82 | 3.8° | 5.1° |
| C43 | C42 | N19 | C37 | 90.6° | 150.3° |
| H80 | C42 | C43 | O10 | 29.5° | 54.8° |
| H80 | C42 | N19 | C37 | 148.7° | 90.5° |
| H80 | C42 | C43 | N20 | 149.2° | 125.2° |
| H81 | C42 | C43 | O10 | 89.1° | 174.4° |
| H81 | C42 | N19 | C37 | 30.1° | 30.4° |
| H81 | C42 | C43 | N20 | 92.2° | 5.6° |
| O10 | C43 | N20 | C44 | 5.1° | 5.0° |
| O10 | C43 | N20 | H82 | 174.9° | 174.9° |
| C44 | N20 | H82 | C43 | 180.0° | 179.9° |
| N20 | C44 | C45 | C46 | 123.7° | 122.0° |
| N20 | C44 | C45 | H83 | 119.0° | 118.4° |
| N20 | C44 | C46 | H83 | 119.4° | 118.7° |
| N20 | C44 | C45 | O11 | 49.8° | 84.6° |
| N20 | C44 | C46 | C47 | 175.6° | 178.4° |
| N20 | C44 | C46 | C48 | 52.7° | 58.4° |
| N20 | C44 | C46 | H84 | 65.6° | 61.6° |
| N20 | C44 | C45 | N21 | 129.5° | 94.8° |
| H82 | N20 | C44 | C45 | 94.7° | 48.1° |
| H82 | N20 | C44 | C46 | 28.2° | 74.6° |
| H82 | N20 | C44 | H83 | 146.9° | 166.5° |
| C45 | C44 | C46 | H83 | 117.6° | 119.3° |
| C44 | C45 | O11 | N21 | 179.3° | 179.4° |
| C45 | C44 | C46 | C47 | 61.4° | 59.7° |
| C45 | C44 | C46 | C48 | 175.7° | 179.7° |
| C45 | C44 | C46 | H84 | 57.3° | 60.3° |
| C44 | C45 | N21 | C49 | 179.6° | 174.5° |
| C44 | C45 | N21 | H91 | 0.4° | 6.3° |
| C45 | C44 | N20 | C43 | 85.3° | 132.0° |
| C46 | C44 | C45 | O11 | 73.9° | 153.4° |
| C44 | C46 | C47 | C48 | 123.1° | 120.0° |
| C44 | C46 | C47 | H84 | 118.5° | 120.0° |
| C44 | C46 | C48 | H84 | 118.1° | 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° | 65.2° |
| C44 | C46 | C48 | H89 | 60.0° | 174.8° |
| C44 | C46 | C48 | H90 | 60.0° | 54.7° |
| C46 | C44 | N20 | C43 | 151.8° | 105.3° |
| C46 | C44 | C45 | N21 | 106.8° | 27.2° |
| H83 | C44 | C45 | O11 | 168.8° | 33.9° |
| H83 | C44 | C46 | C47 | 56.1° | 59.7° |
| H83 | C44 | C46 | C48 | 66.8° | 60.3° |
| H83 | C44 | C46 | H84 | 174.9° | 179.6° |
| H83 | C44 | N20 | C43 | 33.1° | 13.6° |
| H83 | C44 | C45 | N21 | 10.5° | 146.7° |
| O11 | C45 | N21 | C49 | 0.3° | 6.1° |
| O11 | C45 | N21 | H91 | 179.7° | 173.1° |
| C47 | C46 | C48 | H84 | 118.3° | 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 | 56.4° | 174.8° |
| C47 | C46 | C48 | H89 | 63.6° | 54.8° |
| C47 | C46 | C48 | H90 | 176.4° | 65.3° |
| C48 | C46 | C47 | H85 | 56.9° | 60.0° |
| C48 | C46 | C47 | H86 | 176.9° | 60.0° |
| C48 | C46 | C47 | H87 | 63.1° | 180.0° |
| C46 | C48 | H88 | H89 | 120.0° | 120.0° |
| C46 | C48 | H88 | H90 | 120.0° | 120.0° |
| C46 | C48 | H89 | H90 | 120.0° | 120.0° |
| H84 | C46 | C47 | H85 | 61.4° | 180.0° |
| H84 | C46 | C47 | H86 | 58.6° | 60.0° |
| H84 | C46 | C47 | H87 | 178.5° | 60.0° |
| H84 | C46 | C48 | H88 | 61.9° | 54.8° |
| H84 | C46 | C48 | H89 | 178.1° | 65.2° |
| H84 | C46 | C48 | H90 | 58.0° | 174.7° |
| H85 | C47 | H86 | H87 | 120.0° | 120.1° |
| H88 | C48 | H89 | H90 | 120.0° | 120.0° |
| C49 | N21 | H91 | C45 | 180.0° | 179.2° |
| N21 | C49 | C50 | C51 | 121.8° | 119.4° |
| N21 | C49 | C50 | H92 | 119.2° | 120.4° |
| N21 | C49 | C51 | H92 | 120.0° | 119.8° |
| N21 | C49 | C50 | O12 | 71.7° | 61.8° |
| N21 | C49 | C51 | C52 | 176.6° | 65.0° |
| N21 | C49 | C51 | H93 | 55.9° | 55.0° |
| N21 | C49 | C51 | H94 | 62.7° | 175.0° |
| N21 | C49 | C50 | N22 | 106.3° | 118.8° |
| H91 | N21 | C49 | C50 | 94.4° | 13.8° |
| H91 | N21 | C49 | C51 | 27.7° | 105.5° |
| H91 | N21 | C49 | H92 | 147.0° | 134.6° |
| C50 | C49 | C51 | H92 | 119.1° | 120.5° |
| C49 | C50 | O12 | N22 | 177.9° | 179.5° |
| C50 | C49 | C51 | C52 | 62.5° | 175.3° |
| C50 | C49 | C51 | H93 | 176.8° | 64.7° |
| C50 | C49 | C51 | H94 | 58.2° | 55.3° |
| C49 | C50 | N22 | C53 | 177.8° | 179.0° |
| C49 | C50 | N22 | H98 | 2.2° | 0.8° |
| C50 | C49 | N21 | C45 | 85.6° | 165.4° |
| C51 | C49 | C50 | O12 | 50.1° | 57.6° |
| C49 | C51 | C52 | H93 | 120.7° | 120.0° |
| C49 | C51 | C52 | H94 | 120.7° | 120.0° |
| C49 | C51 | H93 | H94 | 117.8° | 120.0° |
| C49 | C51 | C52 | H95 | 180.0° | 180.0° |
| C49 | C51 | C52 | H96 | 60.0° | 60.0° |
| C49 | C51 | C52 | H97 | 60.0° | 60.1° |
| C51 | C49 | N21 | C45 | 152.3° | 75.3° |
| C51 | C49 | C50 | N22 | 131.9° | 121.9° |
| H92 | C49 | C50 | O12 | 169.1° | 177.8° |
| H92 | C49 | C51 | C52 | 56.6° | 54.8° |
| H92 | C49 | C51 | H93 | 64.1° | 174.8° |
| H92 | C49 | C51 | H94 | 177.3° | 65.2° |
| H92 | C49 | N21 | C45 | 33.0° | 44.6° |
| H92 | C49 | C50 | N22 | 12.9° | 1.7° |
| O12 | C50 | N22 | C53 | 0.2° | 0.4° |
| O12 | C50 | N22 | H98 | 179.8° | 179.8° |
| C52 | C51 | H93 | H94 | 117.9° | 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 | 59.3° | 60.0° |
| H93 | C51 | C52 | H96 | 179.3° | 180.0° |
| H93 | C51 | C52 | H97 | 60.7° | 60.0° |
| H94 | C51 | C52 | H95 | 59.3° | 60.0° |
| H94 | C51 | C52 | H96 | 60.7° | 60.0° |
| H94 | C51 | C52 | H97 | 179.3° | 180.0° |
| H95 | C52 | H96 | H97 | 120.0° | 120.0° |
| C53 | N22 | H98 | C50 | 180.0° | 179.8° |
| N22 | C53 | C54 | C55 | 122.1° | 121.0° |
| N22 | C53 | C54 | H99 | 120.0° | 119.9° |
| N22 | C53 | C55 | H99 | 119.8° | 119.1° |
| N22 | C53 | C54 | O13 | 68.1° | 113.9° |
| N22 | C53 | C55 | C56 | 59.3° | 65.0° |
| N22 | C53 | C55 | H100 | 61.5° | 55.0° |
| N22 | C53 | C55 | H101 | 180.0° | 175.0° |
| N22 | C53 | C54 | N26 | 110.6° | 66.3° |
| H98 | N22 | C53 | C54 | 75.6° | 30.1° |
| H98 | N22 | C53 | C55 | 45.7° | 91.0° |
| H98 | N22 | C53 | H99 | 164.8° | 150.1° |
| C54 | C53 | C55 | H99 | 118.1° | 119.1° |
| C53 | C54 | O13 | N26 | 178.6° | 179.8° |
| C54 | C53 | C55 | C56 | 178.7° | 173.2° |
| C54 | C53 | C55 | H100 | 60.6° | 66.8° |
| C54 | C53 | C55 | H101 | 57.9° | 53.2° |
| C53 | C54 | N26 | C59 | 177.2° | 177.6° |
| C53 | C54 | N26 | H111 | 2.8° | 3.2° |
| C54 | C53 | N22 | C50 | 104.4° | 149.7° |
| C55 | C53 | C54 | O13 | 54.0° | 125.0° |
| C53 | C55 | C56 | H100 | 120.7° | 120.0° |
| C53 | C55 | C56 | H101 | 120.7° | 120.0° |
| C53 | C55 | H100 | H101 | 117.8° | 120.0° |
| C53 | C55 | C56 | C57 | 59.3° | 180.0° |
| C53 | C55 | C56 | H102 | 61.0° | 60.0° |
| C53 | C55 | C56 | H103 | 179.6° | 60.0° |
| C55 | C53 | N22 | C50 | 134.3° | 89.2° |
| C55 | C53 | C54 | N26 | 127.3° | 54.8° |
| H99 | C53 | C54 | O13 | 171.8° | 6.0° |
| H99 | C53 | C55 | C56 | 60.6° | 54.1° |
| H99 | C53 | C55 | H100 | 178.7° | 174.1° |
| H99 | C53 | C55 | H101 | 60.2° | 65.9° |
| H99 | C53 | N22 | C50 | 15.2° | 29.7° |
| H99 | C53 | C54 | N26 | 9.5° | 173.8° |
| O13 | C54 | N26 | C59 | 4.1° | 2.2° |
| O13 | C54 | N26 | H111 | 175.9° | 177.0° |
| C56 | C55 | H100 | H101 | 117.7° | 120.0° |
| C55 | C56 | C57 | H102 | 120.3° | 120.0° |
| C55 | C56 | C57 | H103 | 120.3° | 120.0° |
| C55 | C56 | H102 | H103 | 119.0° | 120.0° |
| C55 | C56 | C57 | N23 | 59.8° | 180.0° |
| C55 | C56 | C57 | H104 | 60.7° | 60.0° |
| C55 | C56 | C57 | H105 | 179.7° | 60.0° |
| H100 | C55 | C56 | C57 | 180.0° | 60.0° |
| H100 | C55 | C56 | H102 | 59.7° | 179.9° |
| H100 | C55 | C56 | H103 | 59.6° | 60.0° |
| H101 | C55 | C56 | C57 | 61.4° | 60.0° |
| H101 | C55 | C56 | H102 | 178.2° | 60.0° |
| H101 | C55 | C56 | H103 | 58.9° | 180.0° |
| C57 | C56 | H102 | H103 | 119.0° | 120.1° |
| C56 | C57 | N23 | H104 | 120.5° | 119.9° |
| C56 | C57 | N23 | H105 | 120.5° | 120.0° |
| C56 | C57 | H104 | H105 | 118.5° | 120.1° |
| C56 | C57 | N23 | C58 | 124.2° | 180.0° |
| C56 | C57 | N23 | H106 | 55.8° | 0.1° |
| H102 | C56 | C57 | N23 | 179.8° | 60.0° |
| H102 | C56 | C57 | H104 | 59.7° | 180.0° |
| H102 | C56 | C57 | H105 | 59.4° | 60.0° |
| H103 | C56 | C57 | N23 | 60.5° | 60.0° |
| H103 | C56 | C57 | H104 | 179.0° | 60.0° |
| H103 | C56 | C57 | H105 | 60.0° | 180.0° |
| N23 | C57 | H104 | H105 | 118.5° | 120.0° |
| C57 | N23 | C58 | H106 | 180.0° | 180.0° |
| C57 | N23 | C58 | N24 | 9.2° | 0.0° |
| C57 | N23 | C58 | N25 | 172.8° | 180.0° |
| H104 | C57 | N23 | C58 | 115.4° | 60.0° |
| H104 | C57 | N23 | H106 | 64.6° | 120.0° |
| H105 | C57 | N23 | C58 | 3.7° | 60.0° |
| H105 | C57 | N23 | H106 | 176.3° | 120.0° |
| N23 | C58 | N24 | N25 | 178.0° | 180.0° |
| N23 | C58 | N24 | H107 | 178.0° | 0.0° |
| N23 | C58 | N24 | H108 | 2.0° | 180.0° |
| N23 | C58 | N25 | H109 | 178.0° | 180.0° |
| N23 | C58 | N25 | H110 | 2.0° | 0.0° |
| H106 | N23 | C58 | N24 | 170.8° | 180.0° |
| H106 | N23 | C58 | N25 | 7.2° | 0.0° |
| C58 | N24 | H107 | H108 | 180.0° | 179.9° |
| N24 | C58 | N25 | H109 | 0.0° | 0.0° |
| N24 | C58 | N25 | H110 | 180.0° | 180.0° |
| N25 | C58 | N24 | H107 | 0.0° | 180.0° |
| N25 | C58 | N24 | H108 | 180.0° | 0.0° |
| C58 | N25 | H109 | H110 | 180.0° | 180.0° |
| C59 | N26 | H111 | C54 | 180.0° | 179.3° |
| N26 | C59 | C60 | C61 | 123.4° | 120.6° |
| N26 | C59 | C60 | H112 | 118.2° | 120.4° |
| N26 | C59 | C61 | H112 | 119.5° | 121.0° |
| N26 | C59 | C60 | O14 | 61.6° | 3.0° |
| N26 | C59 | C61 | S2 | 57.4° | 45.8° |
| N26 | C59 | C61 | H113 | 63.3° | 74.4° |
| N26 | C59 | C61 | H114 | 178.0° | 166.2° |
| N26 | C59 | C60 | N27 | 115.4° | 177.3° |
| H111 | N26 | C59 | C60 | 82.0° | 93.9° |
| H111 | N26 | C59 | C61 | 41.5° | 25.6° |
| H111 | N26 | C59 | H112 | 160.4° | 146.3° |
| C60 | C59 | C61 | H112 | 118.6° | 118.7° |
| C59 | C60 | O14 | N27 | 176.8° | 179.7° |
| C60 | C59 | C61 | S2 | 179.2° | 166.1° |
| C60 | C59 | C61 | H113 | 58.5° | 45.9° |
| C60 | C59 | C61 | H114 | 60.1° | 73.5° |
| C59 | C60 | N27 | C62 | 177.1° | 179.4° |
| C59 | C60 | N27 | H115 | 2.8° | 1.0° |
| C60 | C59 | N26 | C54 | 98.0° | 85.4° |
| C61 | C59 | C60 | O14 | 61.7° | 117.6° |
| C59 | C61 | S2 | H113 | 120.7° | 120.2° |
| C59 | C61 | S2 | H114 | 120.7° | 120.4° |
| C59 | C61 | H113 | H114 | 117.9° | 119.5° |
| C59 | C61 | S2 | S1 | 85.2° | 153.5° |
| C61 | C59 | N26 | C54 | 138.5° | 155.2° |
| C61 | C59 | C60 | N27 | 121.2° | 62.1° |
| H112 | C59 | C60 | O14 | 179.8° | 123.4° |
| H112 | C59 | C61 | S2 | 62.2° | 75.2° |
| H112 | C59 | C61 | H113 | 177.1° | 164.6° |
| H112 | C59 | C61 | H114 | 58.5° | 45.2° |
| H112 | C59 | N26 | C54 | 19.6° | 34.5° |
| H112 | C59 | C60 | N27 | 2.8° | 56.9° |
| O14 | C60 | N27 | C62 | 0.1° | 0.8° |
| O14 | C60 | N27 | H115 | 179.8° | 178.7° |
| S2 | C61 | H113 | H114 | 117.8° | 119.6° |
| H113 | C61 | S2 | S1 | 154.0° | 86.3° |
| H114 | C61 | S2 | S1 | 35.5° | 33.1° |
| C62 | N27 | H115 | C60 | 180.0° | 179.6° |
| N27 | C62 | C63 | C64 | 120.9° | 119.6° |
| N27 | C62 | C63 | H116 | 120.5° | 120.2° |
| N27 | C62 | C64 | H116 | 122.0° | 121.0° |
| N27 | C62 | C63 | O15 | 41.3° | 12.2° |
| N27 | C62 | C64 | C65 | 174.3° | 64.8° |
| N27 | C62 | C64 | C66 | 50.0° | 55.3° |
| N27 | C62 | C64 | H117 | 68.0° | 175.3° |
| N27 | C62 | C63 | N28 | 137.5° | 167.7° |
| H115 | N27 | C62 | C63 | 51.2° | 61.0° |
| H115 | N27 | C62 | C64 | 67.8° | 58.5° |
| H115 | N27 | C62 | H116 | 171.1° | 179.2° |
| C63 | C62 | C64 | H116 | 118.9° | 120.0° |
| C62 | C63 | O15 | N28 | 178.7° | 180.0° |
| C63 | C62 | C64 | C65 | 66.6° | 176.2° |
| C63 | C62 | C64 | C66 | 169.1° | 63.7° |
| C63 | C62 | C64 | H117 | 51.1° | 56.3° |
| C62 | C63 | N28 | C67 | 178.2° | 178.6° |
| C62 | C63 | N28 | H124 | 1.8° | 1.4° |
| C63 | C62 | N27 | C60 | 128.8° | 118.6° |
| C64 | C62 | C63 | O15 | 79.7° | 107.4° |
| C62 | C64 | C65 | C66 | 125.1° | 120.0° |
| C62 | C64 | C65 | H117 | 117.4° | 120.0° |
| C62 | C64 | C66 | H117 | 117.7° | 120.0° |
| C62 | C64 | C65 | H118 | 180.0° | 60.0° |
| C62 | C64 | C65 | H119 | 60.0° | 180.0° |
| C62 | C64 | C65 | H120 | 60.0° | 59.9° |
| C62 | C64 | C66 | H121 | 180.0° | 55.6° |
| C62 | C64 | C66 | H122 | 60.0° | 175.6° |
| C62 | C64 | C66 | H123 | 60.0° | 64.4° |
| C64 | C62 | N27 | C60 | 112.1° | 121.9° |
| C64 | C62 | C63 | N28 | 101.5° | 72.6° |
| H116 | C62 | C63 | O15 | 161.8° | 132.5° |
| H116 | C62 | C64 | C65 | 52.3° | 56.2° |
| H116 | C62 | C64 | C66 | 72.0° | 176.3° |
| H116 | C62 | C64 | H117 | 170.0° | 63.7° |
| H116 | C62 | N27 | C60 | 9.0° | 1.2° |
| H116 | C62 | C63 | N28 | 17.0° | 47.5° |
| O15 | C63 | N28 | C67 | 3.1° | 1.4° |
| O15 | C63 | N28 | H124 | 176.9° | 178.7° |
| C65 | C64 | C66 | H117 | 117.5° | 120.0° |
| C64 | C65 | H118 | H119 | 120.0° | 120.0° |
| C64 | C65 | H118 | H120 | 120.0° | 119.9° |
| C64 | C65 | H119 | H120 | 120.0° | 120.0° |
| C65 | C64 | C66 | H121 | 55.2° | 175.6° |
| C65 | C64 | C66 | H122 | 64.8° | 64.4° |
| C65 | C64 | C66 | H123 | 175.2° | 55.6° |
| C66 | C64 | C65 | H118 | 54.9° | 60.0° |
| C66 | C64 | C65 | H119 | 174.9° | 60.0° |
| C66 | C64 | C65 | H120 | 65.1° | 180.0° |
| C64 | C66 | H121 | H122 | 120.0° | 120.0° |
| C64 | C66 | H121 | H123 | 120.0° | 120.0° |
| C64 | C66 | H122 | H123 | 120.0° | 120.0° |
| H117 | C64 | C65 | H118 | 62.6° | 180.0° |
| H117 | C64 | C65 | H119 | 57.4° | 60.0° |
| H117 | C64 | C65 | H120 | 177.4° | 60.0° |
| H117 | C64 | C66 | H121 | 62.2° | 64.4° |
| H117 | C64 | C66 | H122 | 177.7° | 55.6° |
| H117 | C64 | C66 | H123 | 57.7° | 175.6° |
| H118 | C65 | H119 | H120 | 120.0° | 120.0° |
| H121 | C66 | H122 | H123 | 120.0° | 120.0° |
| C67 | N28 | H124 | C63 | 180.0° | 180.0° |
| N28 | C67 | C68 | C69 | 125.5° | 120.7° |
| N28 | C67 | C68 | H125 | 117.5° | 119.6° |
| N28 | C67 | C69 | H125 | 118.2° | 119.6° |
| N28 | C67 | C68 | O16 | 59.1° | 5.0° |
| N28 | C67 | C69 | C70 | 57.7° | 65.0° |
| N28 | C67 | C69 | H126 | 178.6° | 55.0° |
| N28 | C67 | C69 | H127 | 63.2° | 175.0° |
| N28 | C67 | C68 | N29 | 117.4° | 176.6° |
| H124 | N28 | C67 | C68 | 91.6° | 75.8° |
| H124 | N28 | C67 | C69 | 34.1° | 45.4° |
| H124 | N28 | C67 | H125 | 151.6° | 164.9° |
| C68 | C67 | C69 | H125 | 117.1° | 119.5° |
| C67 | C68 | O16 | N29 | 176.2° | 178.4° |
| C68 | C67 | C69 | C70 | 67.0° | 174.0° |
| C68 | C67 | C69 | H126 | 53.9° | 65.9° |
| C68 | C67 | C69 | H127 | 172.1° | 54.0° |
| C67 | C68 | N29 | C71 | 179.8° | 129.7° |
| C67 | C68 | N29 | H131 | 0.2° | 51.7° |
| C68 | C67 | N28 | C63 | 88.4° | 104.3° |
| C69 | C67 | C68 | O16 | 66.4° | 115.8° |
| C67 | C69 | C70 | H126 | 120.9° | 120.0° |
| C67 | C69 | C70 | H127 | 120.9° | 120.1° |
| C67 | C69 | H126 | H127 | 117.2° | 120.0° |
| C67 | C69 | C70 | H128 | 180.0° | 179.9° |
| C67 | C69 | C70 | H129 | 60.0° | 60.0° |
| C67 | C69 | C70 | H130 | 60.0° | 59.9° |
| C69 | C67 | N28 | C63 | 145.9° | 134.5° |
| C69 | C67 | C68 | N29 | 117.1° | 62.7° |
| H125 | C67 | C68 | O16 | 176.6° | 124.6° |
| H125 | C67 | C69 | C70 | 175.9° | 54.6° |
| H125 | C67 | C69 | H126 | 63.2° | 174.6° |
| H125 | C67 | C69 | H127 | 55.0° | 65.5° |
| H125 | C67 | N28 | C63 | 28.4° | 15.1° |
| H125 | C67 | C68 | N29 | 0.1° | 57.0° |
| O16 | C68 | N29 | C71 | 3.8° | 51.9° |
| O16 | C68 | N29 | H131 | 176.2° | 126.7° |
| C70 | C69 | H126 | H127 | 117.2° | 120.0° |
| C69 | C70 | H128 | H129 | 120.0° | 120.0° |
| C69 | C70 | H128 | H130 | 120.0° | 119.9° |
| C69 | C70 | H129 | H130 | 120.0° | 119.9° |
| H126 | C69 | C70 | H128 | 59.1° | 59.9° |
| H126 | C69 | C70 | H129 | 179.1° | 179.9° |
| H126 | C69 | C70 | H130 | 60.9° | 60.1° |
| H127 | C69 | C70 | H128 | 59.1° | 60.0° |
| H127 | C69 | C70 | H129 | 60.9° | 60.0° |
| H127 | C69 | C70 | H130 | 179.1° | 180.0° |
| H128 | C70 | H129 | H130 | 120.0° | 120.1° |
| C71 | N29 | H131 | C68 | 180.0° | 178.6° |
| N29 | C71 | C72 | C73 | 121.8° | 119.3° |
| N29 | C71 | C72 | H132 | 119.3° | 120.7° |
| N29 | C71 | C73 | H132 | 120.4° | 121.7° |
| N29 | C71 | C72 | O17 | 73.7° | 11.7° |
| N29 | C71 | C73 | C74 | 56.9° | 174.5° |
| N29 | C71 | C73 | H133 | 63.8° | 54.5° |
| N29 | C71 | C73 | H134 | 177.7° | 65.5° |
| N29 | C71 | C72 | N33 | 102.1° | 168.6° |
| H131 | N29 | C71 | C72 | 63.6° | 29.0° |
| H131 | N29 | C71 | C73 | 58.2° | 147.6° |
| H131 | N29 | C71 | H132 | 177.7° | 91.1° |
| C72 | C71 | C73 | H132 | 119.1° | 119.8° |
| C71 | C72 | O17 | N33 | 175.5° | 179.7° |
| C72 | C71 | C73 | C74 | 177.5° | 67.1° |
| C72 | C71 | C73 | H133 | 56.7° | 172.9° |
| C72 | C71 | C73 | H134 | 61.8° | 52.9° |
| C71 | C72 | N33 | C77 | 179.5° | 179.1° |
| C71 | C72 | N33 | H144 | 0.5° | 1.1° |
| C72 | C71 | N29 | C68 | 116.3° | 152.4° |
| C73 | C71 | C72 | O17 | 48.1° | 107.6° |
| C71 | C73 | C74 | H133 | 120.7° | 120.0° |
| C71 | C73 | C74 | H134 | 120.7° | 119.9° |
| C71 | C73 | H133 | H134 | 117.7° | 120.0° |
| C71 | C73 | C74 | C75 | 62.9° | 174.2° |
| C71 | C73 | C74 | H135 | 57.6° | 65.8° |
| C71 | C73 | C74 | H136 | 176.6° | 54.2° |
| C73 | C71 | N29 | C68 | 121.9° | 33.8° |
| C73 | C71 | C72 | N33 | 136.0° | 72.2° |
| H132 | C71 | C72 | O17 | 167.0° | 132.4° |
| H132 | C71 | C73 | C74 | 63.5° | 52.7° |
| H132 | C71 | C73 | H133 | 175.8° | 67.3° |
| H132 | C71 | C73 | H134 | 57.3° | 172.7° |
| H132 | C71 | N29 | C68 | 2.3° | 87.5° |
| H132 | C71 | C72 | N33 | 17.2° | 47.8° |
| O17 | C72 | N33 | C77 | 3.8° | 1.1° |
| O17 | C72 | N33 | H144 | 176.2° | 178.6° |
| C74 | C73 | H133 | H134 | 117.7° | 120.1° |
| C73 | C74 | C75 | H135 | 120.5° | 120.0° |
| C73 | C74 | C75 | H136 | 120.5° | 120.0° |
| C73 | C74 | H135 | H136 | 118.5° | 120.1° |
| C73 | C74 | C75 | N30 | 68.4° | 174.0° |
| C73 | C74 | C75 | H137 | 52.1° | 53.9° |
| C73 | C74 | C75 | H138 | 171.0° | 66.1° |
| H133 | C73 | C74 | C75 | 176.4° | 54.2° |
| H133 | C73 | C74 | H135 | 63.1° | 174.2° |
| H133 | C73 | C74 | H136 | 55.9° | 65.8° |
| H134 | C73 | C74 | C75 | 57.8° | 65.8° |
| H134 | C73 | C74 | H135 | 178.4° | 54.1° |
| H134 | C73 | C74 | H136 | 62.7° | 174.2° |
| C75 | C74 | H135 | H136 | 118.5° | 120.0° |
| C74 | C75 | N30 | H137 | 120.5° | 120.1° |
| C74 | C75 | N30 | H138 | 120.5° | 120.0° |
| C74 | C75 | H137 | H138 | 118.3° | 120.0° |
| C74 | C75 | N30 | C76 | 170.2° | 177.2° |
| C74 | C75 | N30 | H139 | 9.7° | 2.8° |
| H135 | C74 | C75 | N30 | 171.0° | 66.1° |
| H135 | C74 | C75 | H137 | 68.4° | 173.9° |
| H135 | C74 | C75 | H138 | 50.5° | 53.9° |
| H136 | C74 | C75 | N30 | 52.0° | 53.9° |
| H136 | C74 | C75 | H137 | 172.6° | 66.1° |
| H136 | C74 | C75 | H138 | 68.5° | 173.9° |
| N30 | C75 | H137 | H138 | 118.4° | 120.0° |
| C75 | N30 | C76 | H139 | 180.0° | 180.0° |
| C75 | N30 | C76 | N31 | 8.4° | 1.3° |
| C75 | N30 | C76 | N32 | 173.2° | 178.7° |
| H137 | C75 | N30 | C76 | 69.2° | 57.1° |
| H137 | C75 | N30 | H139 | 110.8° | 122.8° |
| H138 | C75 | N30 | C76 | 49.7° | 62.8° |
| H138 | C75 | N30 | H139 | 130.2° | 117.2° |
| N30 | C76 | N31 | N32 | 178.4° | 180.0° |
| N30 | C76 | N31 | H140 | 178.4° | 4.8° |
| N30 | C76 | N31 | H141 | 1.6° | 175.2° |
| N30 | C76 | N32 | H142 | 178.4° | 174.8° |
| N30 | C76 | N32 | H143 | 1.6° | 5.2° |
| H139 | N30 | C76 | N31 | 171.7° | 178.7° |
| H139 | N30 | C76 | N32 | 6.7° | 1.3° |
| C76 | N31 | H140 | H141 | 180.0° | 180.0° |
| N31 | C76 | N32 | H142 | 0.0° | 5.2° |
| N31 | C76 | N32 | H143 | 180.0° | 174.8° |
| N32 | C76 | N31 | H140 | 0.0° | 175.2° |
| N32 | C76 | N31 | H141 | 180.0° | 4.8° |
| C76 | N32 | H142 | H143 | 180.0° | 180.0° |
| C77 | N33 | H144 | C72 | 180.0° | 179.8° |
| N33 | C77 | C78 | C79 | 126.3° | 120.2° |
| N33 | C77 | C78 | H145 | 116.6° | 120.0° |
| N33 | C77 | C79 | H145 | 116.8° | 120.1° |
| N33 | C77 | C78 | O18 | 134.3° | 50.6° |
| N33 | C77 | C79 | C80 | 177.1° | 65.0° |
| N33 | C77 | C79 | H146 | 56.2° | 55.0° |
| N33 | C77 | C79 | H147 | 61.9° | 174.9° |
| N33 | C77 | C78 | N1 | 44.8° | 129.1° |
| H144 | N33 | C77 | C78 | 122.8° | 40.9° |
| H144 | N33 | C77 | C79 | 109.3° | 79.2° |
| H144 | N33 | C77 | H145 | 6.8° | 160.8° |
| C78 | C77 | C79 | H145 | 117.2° | 119.7° |
| C77 | C78 | O18 | N1 | 179.1° | 179.7° |
| C78 | C77 | C79 | C80 | 56.8° | 174.8° |
| C78 | C77 | C79 | H146 | 177.7° | 65.2° |
| C78 | C77 | C79 | H147 | 64.1° | 54.8° |
| C78 | C77 | N33 | C72 | 57.2° | 138.8° |
| C79 | C77 | C78 | O18 | 8.0° | 69.6° |
| C77 | C79 | C80 | H146 | 120.9° | 119.9° |
| C77 | C79 | C80 | H147 | 121.0° | 120.1° |
| C77 | C79 | H146 | H147 | 117.1° | 120.0° |
| C77 | C79 | C80 | C81 | 50.7° | 180.0° |
| C77 | C79 | C80 | H148 | 171.1° | 60.0° |
| C77 | C79 | C80 | H149 | 69.7° | 60.0° |
| C79 | C77 | C78 | N1 | 171.1° | 110.7° |
| C79 | C77 | N33 | C72 | 70.8° | 101.1° |
| H145 | C77 | C78 | O18 | 109.1° | 170.6° |
| H145 | C77 | C79 | C80 | 60.4° | 55.1° |
| H145 | C77 | C79 | H146 | 60.5° | 175.1° |
| H145 | C77 | C79 | H147 | 178.7° | 65.0° |
| H145 | C77 | C78 | N1 | 71.8° | 9.1° |
| H145 | C77 | N33 | C72 | 173.2° | 19.0° |
| C80 | C79 | H146 | H147 | 117.0° | 120.1° |
| C79 | C80 | C81 | H148 | 120.4° | 120.0° |
| C79 | C80 | C81 | H149 | 120.4° | 120.0° |
| C79 | C80 | H148 | H149 | 118.7° | 120.0° |
| C79 | C80 | C81 | N34 | 59.0° | 180.0° |
| C79 | C80 | C81 | H150 | 179.6° | 60.0° |
| C79 | C80 | C81 | H151 | 61.5° | 60.0° |
| H146 | C79 | C80 | C81 | 70.2° | 60.0° |
| H146 | C79 | C80 | H148 | 50.2° | 179.9° |
| H146 | C79 | C80 | H149 | 169.4° | 59.9° |
| H147 | C79 | C80 | C81 | 171.7° | 60.0° |
| H147 | C79 | C80 | H148 | 67.9° | 60.1° |
| H147 | C79 | C80 | H149 | 51.3° | 179.9° |
| C81 | C80 | H148 | H149 | 118.7° | 120.0° |
| C80 | C81 | N34 | H150 | 120.6° | 119.9° |
| C80 | C81 | N34 | H151 | 120.6° | 120.0° |
| C80 | C81 | H150 | H151 | 118.3° | 120.0° |
| C80 | C81 | N34 | C82 | 159.4° | 180.0° |
| C80 | C81 | N34 | H152 | 20.6° | 0.0° |
| H148 | C80 | C81 | N34 | 61.4° | 60.0° |
| H148 | C80 | C81 | H150 | 59.2° | 180.0° |
| H148 | C80 | C81 | H151 | 178.1° | 60.0° |
| H149 | C80 | C81 | N34 | 179.5° | 60.0° |
| H149 | C80 | C81 | H150 | 59.9° | 60.0° |
| H149 | C80 | C81 | H151 | 58.9° | 180.0° |
| N34 | C81 | H150 | H151 | 118.3° | 120.1° |
| C81 | N34 | C82 | H152 | 180.0° | 179.9° |
| C81 | N34 | C82 | N35 | 3.8° | 0.1° |
| C81 | N34 | C82 | N36 | 177.5° | 180.0° |
| H150 | C81 | N34 | C82 | 80.0° | 60.1° |
| H150 | C81 | N34 | H152 | 100.0° | 120.0° |
| H151 | C81 | N34 | C82 | 38.9° | 60.0° |
| H151 | C81 | N34 | H152 | 141.1° | 119.9° |
| N34 | C82 | N35 | N36 | 178.6° | 179.9° |
| N34 | C82 | N35 | H153 | 178.6° | 0.0° |
| N34 | C82 | N35 | H154 | 1.3° | 179.9° |
| N34 | C82 | N36 | H155 | 178.7° | 0.0° |
| N34 | C82 | N36 | H156 | 1.3° | 179.9° |
| H152 | N34 | C82 | N35 | 176.2° | 180.0° |
| H152 | N34 | C82 | N36 | 2.5° | 0.1° |
| C82 | N35 | H153 | H154 | 180.0° | 180.0° |
| N35 | C82 | N36 | H155 | 0.0° | 180.0° |
| N35 | C82 | N36 | H156 | 180.0° | 0.0° |
| N36 | C82 | N35 | H153 | 0.0° | 180.0° |
| N36 | C82 | N35 | H154 | 180.0° | 0.0° |
| C82 | N36 | H155 | H156 | 180.0° | 180.0° |
