PRD_000998
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 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 | 1.24Å | |
| N2 | C3 | sing | 1.46Å | 1.45Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.58Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| 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 | 0.98Å | 1.00Å | |
| C8 | C9 | sing | 1.50Å | 1.51Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| 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 | 1.44Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.50Å | 1.49Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H21 | sing | 1.10Å | 1.10Å | |
| C13 | O4 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| 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 | 1.32Å | |
| C17 | N7 | doub | 1.33Å | 1.32Å | |
| 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 | 1.47Å | 1.42Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.24Å | |
| C20 | S1 | sing | 1.81Å | 1.84Å | |
| 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 | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.57Å | |
| C21 | H38 | sing | 1.10Å | 1.10Å | |
| C22 | O6 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| 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 | 1.50Å | 1.49Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O7 | doub | 1.21Å | 1.24Å | |
| C28 | S2 | sing | 1.82Å | 1.83Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| N11 | C29 | sing | 1.46Å | 1.43Å | |
| N11 | H50 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.50Å | 1.51Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | O8 | doub | 1.22Å | 1.24Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | N12 | sing | 1.46Å | 1.46Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| N12 | C34 | sing | 1.37Å | 1.33Å | |
| N12 | H58 | sing | 0.97Å | 1.00Å | |
| C34 | N13 | sing | 1.33Å | 1.33Å | |
| C34 | N14 | doub | 1.33Å | 1.33Å | |
| N13 | H59 | sing | 0.97Å | 1.00Å | |
| N13 | H60 | sing | 0.97Å | 1.00Å | |
| N14 | H61 | sing | 0.97Å | 1.00Å | |
| N14 | H62 | sing | 0.97Å | 1.00Å | |
| N15 | C35 | sing | 1.46Å | 1.46Å | |
| N15 | H63 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.50Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H64 | sing | 1.11Å | 1.10Å | |
| C36 | O9 | doub | 1.23Å | 1.24Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | N16 | sing | 1.46Å | 1.48Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| N16 | C40 | sing | 1.37Å | 1.34Å | |
| N16 | H71 | sing | 0.97Å | 1.00Å | |
| C40 | N17 | sing | 1.33Å | 1.32Å | |
| C40 | N18 | doub | 1.33Å | 1.33Å | |
| N17 | H72 | sing | 0.97Å | 1.00Å | |
| N17 | H73 | sing | 0.97Å | 1.00Å | |
| N18 | H74 | sing | 0.97Å | 1.00Å | |
| N18 | H75 | sing | 0.97Å | 1.00Å | |
| N19 | C41 | sing | 1.45Å | 1.43Å | |
| N19 | H76 | sing | 1.00Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | H77 | sing | 1.10Å | 1.10Å | |
| C41 | H78 | sing | 1.08Å | 1.10Å | |
| C42 | O10 | doub | 1.21Å | 1.23Å | |
| N20 | C43 | sing | 1.47Å | 1.44Å | |
| N20 | H79 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.51Å | |
| C43 | C45 | sing | 1.53Å | 1.56Å | |
| C43 | H80 | sing | 1.09Å | 1.10Å | |
| C44 | O11 | doub | 1.21Å | 1.21Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N21 | C48 | sing | 1.47Å | 1.43Å | |
| N21 | H88 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.50Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H89 | sing | 1.09Å | 1.10Å | |
| C49 | O12 | doub | 1.21Å | 1.23Å | |
| C50 | S3 | sing | 1.82Å | 1.83Å | |
| C50 | H90 | sing | 1.09Å | 1.10Å | |
| C50 | H91 | sing | 1.09Å | 1.10Å | |
| N22 | C51 | sing | 1.46Å | 1.43Å | |
| N22 | H92 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.51Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H93 | sing | 1.09Å | 1.10Å | |
| C52 | O13 | doub | 1.22Å | 1.23Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.51Å | |
| C54 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C55 | N23 | sing | 1.46Å | 1.47Å | |
| C55 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | H99 | sing | 1.09Å | 1.10Å | |
| N23 | C56 | sing | 1.37Å | 1.33Å | |
| N23 | H100 | sing | 0.97Å | 1.00Å | |
| C56 | N24 | sing | 1.33Å | 1.33Å | |
| C56 | N25 | doub | 1.33Å | 1.32Å | |
| N24 | H101 | sing | 0.97Å | 1.00Å | |
| N24 | H102 | sing | 0.97Å | 1.00Å | |
| N25 | H103 | sing | 0.97Å | 1.00Å | |
| N25 | H104 | sing | 0.97Å | 1.00Å | |
| N26 | C57 | sing | 1.46Å | 1.43Å | |
| N26 | H105 | sing | 0.98Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.49Å | |
| C57 | C59 | sing | 1.52Å | 1.52Å | |
| C57 | H106 | sing | 1.10Å | 1.10Å | |
| C58 | O14 | doub | 1.21Å | 1.25Å | |
| C59 | S4 | sing | 1.82Å | 1.84Å | |
| C59 | H107 | sing | 1.09Å | 1.10Å | |
| C59 | H108 | sing | 1.09Å | 1.10Å | |
| N27 | C60 | sing | 1.46Å | 1.44Å | |
| N27 | H109 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.51Å | 1.53Å | |
| C60 | C62 | sing | 1.53Å | 1.56Å | |
| C60 | H110 | sing | 1.09Å | 1.10Å | |
| C61 | O15 | doub | 1.21Å | 1.24Å | |
| C62 | C63 | sing | 1.53Å | 1.52Å | |
| C62 | C64 | sing | 1.53Å | 1.51Å | |
| C62 | H111 | sing | 1.09Å | 1.10Å | |
| C63 | H112 | sing | 1.09Å | 1.10Å | |
| C63 | H113 | sing | 1.09Å | 1.10Å | |
| C63 | H114 | sing | 1.09Å | 1.10Å | |
| C64 | H115 | sing | 1.09Å | 1.10Å | |
| C64 | H116 | sing | 1.09Å | 1.10Å | |
| C64 | H117 | sing | 1.09Å | 1.10Å | |
| N28 | C65 | sing | 1.46Å | 1.44Å | |
| N28 | H118 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.52Å | |
| C65 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | H119 | sing | 1.09Å | 1.10Å | |
| C66 | O16 | doub | 1.21Å | 1.23Å | |
| C67 | C68 | sing | 1.53Å | 1.52Å | |
| C67 | H120 | sing | 1.09Å | 1.10Å | |
| C67 | H121 | sing | 1.09Å | 1.10Å | |
| C68 | H122 | sing | 1.09Å | 1.10Å | |
| C68 | H123 | sing | 1.09Å | 1.10Å | |
| C68 | H124 | sing | 1.09Å | 1.10Å | |
| N29 | C69 | sing | 1.46Å | 1.43Å | |
| N29 | H125 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.50Å | 1.53Å | |
| C69 | C71 | sing | 1.52Å | 1.54Å | |
| C69 | H126 | sing | 1.11Å | 1.10Å | |
| C70 | O17 | doub | 1.24Å | 1.24Å | |
| C71 | C72 | sing | 1.53Å | 1.55Å | |
| C71 | H127 | sing | 1.09Å | 1.10Å | |
| C71 | H128 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.53Å | 1.54Å | |
| C72 | H129 | sing | 1.09Å | 1.10Å | |
| C72 | H130 | sing | 1.09Å | 1.10Å | |
| C73 | N30 | sing | 1.46Å | 1.47Å | |
| C73 | H131 | sing | 1.09Å | 1.10Å | |
| C73 | H132 | sing | 1.09Å | 1.10Å | |
| N30 | C74 | sing | 1.37Å | 1.34Å | |
| N30 | H133 | sing | 0.97Å | 1.00Å | |
| C74 | N31 | sing | 1.33Å | 1.34Å | |
| C74 | N32 | doub | 1.33Å | 1.32Å | |
| N31 | H134 | sing | 0.97Å | 1.00Å | |
| N31 | H135 | sing | 0.97Å | 1.00Å | |
| N32 | H136 | sing | 0.97Å | 1.00Å | |
| N32 | H137 | sing | 0.97Å | 1.00Å | |
| N33 | C75 | sing | 1.46Å | 1.47Å | |
| N33 | H138 | sing | 1.00Å | 1.00Å | |
| C75 | C76 | sing | 1.51Å | 1.54Å | |
| C75 | C77 | sing | 1.53Å | 1.52Å | |
| C75 | H139 | sing | 1.09Å | 1.10Å | |
| C76 | O18 | doub | 1.22Å | 1.24Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | H140 | sing | 1.09Å | 1.10Å | |
| C77 | H141 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.51Å | |
| C78 | H142 | sing | 1.09Å | 1.10Å | |
| C78 | H143 | sing | 1.09Å | 1.10Å | |
| C79 | N34 | sing | 1.47Å | 1.47Å | |
| C79 | H144 | sing | 1.09Å | 1.10Å | |
| C79 | H145 | sing | 1.09Å | 1.10Å | |
| N34 | C80 | sing | 1.37Å | 1.34Å | |
| N34 | H146 | sing | 0.97Å | 1.00Å | |
| C80 | N35 | sing | 1.33Å | 1.33Å | |
| C80 | N36 | doub | 1.33Å | 1.33Å | |
| N35 | H147 | sing | 0.97Å | 1.00Å | |
| N35 | H148 | sing | 0.97Å | 1.00Å | |
| N36 | H149 | sing | 0.97Å | 1.00Å | |
| N36 | H150 | sing | 0.97Å | 1.00Å | |
| N1 | C76 | sing | 1.35Å | 1.30Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C4 | N3 | sing | 1.35Å | 1.30Å | |
| C9 | N4 | sing | 1.35Å | 1.30Å | |
| C13 | N8 | sing | 1.34Å | 1.28Å | |
| C19 | N9 | sing | 1.35Å | 1.28Å | |
| S1 | S4 | sing | 2.05Å | 2.03Å | |
| C22 | N10 | sing | 1.34Å | 1.30Å | |
| C27 | N11 | sing | 1.35Å | 1.29Å | |
| S2 | S3 | sing | 2.05Å | 2.04Å | |
| C30 | N15 | sing | 1.34Å | 1.32Å | |
| C36 | N19 | sing | 1.33Å | 1.31Å | |
| C42 | N20 | sing | 1.35Å | 1.31Å | |
| C44 | N21 | sing | 1.35Å | 1.29Å | |
| C49 | N22 | sing | 1.35Å | 1.30Å | |
| C52 | N26 | sing | 1.34Å | 1.30Å | |
| C58 | N27 | sing | 1.35Å | 1.29Å | |
| C61 | N28 | sing | 1.35Å | 1.31Å | |
| C66 | N29 | sing | 1.35Å | 1.29Å | |
| C70 | N33 | sing | 1.33Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.8° | 118.9° |
| N1 | C1 | C2 | 113.2° | 109.5° |
| N1 | C1 | H2 | 108.5° | 109.4° |
| N1 | C1 | H3 | 108.5° | 109.7° |
| C1 | N1 | C76 | 120.4° | 119.3° |
| H1 | N1 | C76 | 119.8° | 121.8° |
| C2 | C1 | H2 | 108.6° | 109.2° |
| C2 | C1 | H3 | 108.5° | 109.7° |
| C1 | C2 | O1 | 120.2° | 119.6° |
| C1 | C2 | N2 | 117.8° | 120.1° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| O1 | C2 | N2 | 122.0° | 120.3° |
| C3 | N2 | H4 | 120.6° | 120.1° |
| N2 | C3 | C4 | 110.8° | 109.9° |
| N2 | C3 | C5 | 113.7° | 109.4° |
| N2 | C3 | H5 | 107.3° | 109.8° |
| C3 | N2 | C2 | 118.9° | 120.1° |
| H4 | N2 | C2 | 120.6° | 119.8° |
| C4 | C3 | C5 | 112.2° | 108.9° |
| C4 | C3 | H5 | 106.5° | 109.3° |
| C3 | C4 | O2 | 121.1° | 119.3° |
| C3 | C4 | N3 | 116.4° | 119.3° |
| C5 | C3 | H5 | 105.9° | 109.4° |
| C3 | C5 | C6 | 112.9° | 109.5° |
| C3 | C5 | C7 | 111.1° | 109.5° |
| C3 | C5 | H6 | 106.8° | 109.5° |
| O2 | C4 | N3 | 122.5° | 121.5° |
| C6 | C5 | C7 | 110.8° | 109.4° |
| C6 | C5 | H6 | 107.5° | 109.4° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.4° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 107.4° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H7 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.4° | 109.5° |
| C8 | N3 | H13 | 119.2° | 118.5° |
| N3 | C8 | C9 | 109.0° | 111.4° |
| N3 | C8 | C10 | 111.0° | 110.0° |
| N3 | C8 | H14 | 109.5° | 108.7° |
| C8 | N3 | C4 | 121.5° | 122.9° |
| H13 | N3 | C4 | 119.2° | 118.5° |
| C9 | C8 | C10 | 110.5° | 109.7° |
| C9 | C8 | H14 | 108.5° | 108.6° |
| C8 | C9 | O3 | 120.8° | 120.0° |
| C8 | C9 | N4 | 116.1° | 119.9° |
| C10 | C8 | H14 | 108.2° | 108.4° |
| C8 | C10 | C11 | 113.9° | 109.5° |
| C8 | C10 | H15 | 108.3° | 109.4° |
| C8 | C10 | H16 | 108.4° | 109.5° |
| O3 | C9 | N4 | 123.0° | 120.0° |
| C11 | C10 | H15 | 108.4° | 109.5° |
| C11 | C10 | H16 | 108.3° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.4° |
| C10 | C11 | H19 | 109.5° | 109.4° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| C12 | N4 | H20 | 118.7° | 120.2° |
| N4 | C12 | C13 | 107.6° | 110.3° |
| N4 | C12 | C14 | 111.7° | 109.5° |
| N4 | C12 | H21 | 109.9° | 108.3° |
| C12 | N4 | C9 | 122.6° | 119.5° |
| H20 | N4 | C9 | 118.7° | 120.3° |
| C13 | C12 | C14 | 110.0° | 111.5° |
| C13 | C12 | H21 | 109.1° | 108.5° |
| C12 | C13 | O4 | 120.4° | 118.8° |
| C12 | C13 | N8 | 117.4° | 122.7° |
| C14 | C12 | H21 | 108.5° | 108.6° |
| C12 | C14 | C15 | 116.2° | 109.5° |
| C12 | C14 | H22 | 107.8° | 109.5° |
| C12 | C14 | H23 | 107.8° | 109.5° |
| O4 | C13 | N8 | 122.2° | 118.5° |
| C15 | C14 | H22 | 107.8° | 109.5° |
| C15 | C14 | H23 | 107.8° | 109.4° |
| C14 | C15 | C16 | 113.2° | 109.5° |
| C14 | C15 | H24 | 108.5° | 109.5° |
| C14 | C15 | H25 | 108.6° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.4° |
| C16 | C15 | H24 | 108.5° | 109.4° |
| C16 | C15 | H25 | 108.5° | 109.4° |
| C15 | C16 | N5 | 113.1° | 109.5° |
| C15 | C16 | H26 | 108.6° | 109.5° |
| C15 | C16 | H27 | 108.6° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| N5 | C16 | H26 | 108.5° | 109.5° |
| N5 | C16 | H27 | 108.6° | 109.5° |
| C16 | N5 | C17 | 125.9° | 120.0° |
| C16 | N5 | H28 | 117.0° | 120.0° |
| H26 | C16 | H27 | 109.5° | 109.4° |
| C17 | N5 | H28 | 117.0° | 120.0° |
| N5 | C17 | N6 | 120.8° | 120.0° |
| N5 | C17 | N7 | 119.4° | 120.0° |
| N6 | C17 | N7 | 119.8° | 120.0° |
| C17 | N6 | H29 | 120.0° | 120.0° |
| 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 | 120.5° | 116.6° |
| N8 | C18 | C19 | 109.4° | 109.7° |
| N8 | C18 | C20 | 112.7° | 109.7° |
| N8 | C18 | H34 | 108.5° | 109.4° |
| C18 | N8 | C13 | 119.0° | 121.4° |
| H33 | N8 | C13 | 120.5° | 121.9° |
| C19 | C18 | C20 | 111.3° | 108.9° |
| C19 | C18 | H34 | 107.4° | 109.5° |
| C18 | C19 | O5 | 121.8° | 120.3° |
| C18 | C19 | N9 | 114.6° | 119.4° |
| C20 | C18 | H34 | 107.3° | 109.6° |
| C18 | C20 | S1 | 114.4° | 110.2° |
| C18 | C20 | H35 | 108.3° | 109.1° |
| C18 | C20 | H36 | 108.2° | 109.4° |
| O5 | C19 | N9 | 123.7° | 120.3° |
| S1 | C20 | H35 | 108.2° | 109.5° |
| S1 | C20 | H36 | 108.2° | 109.2° |
| C20 | S1 | S4 | 105.0° | 102.9° |
| H35 | C20 | H36 | 109.4° | 109.4° |
| C21 | N9 | H37 | 118.6° | 119.7° |
| N9 | C21 | C22 | 109.2° | 109.9° |
| N9 | C21 | C23 | 111.2° | 109.1° |
| N9 | C21 | H38 | 110.2° | 108.8° |
| C21 | N9 | C19 | 122.8° | 119.9° |
| H37 | N9 | C19 | 118.6° | 120.5° |
| C22 | C21 | C23 | 108.6° | 111.6° |
| C22 | C21 | H38 | 109.2° | 108.8° |
| C21 | C22 | O6 | 120.5° | 117.9° |
| C21 | C22 | N10 | 116.6° | 123.8° |
| C23 | C21 | H38 | 108.5° | 108.7° |
| C21 | C23 | C24 | 111.4° | 109.5° |
| C21 | C23 | C25 | 111.5° | 109.5° |
| C21 | C23 | H39 | 107.5° | 109.5° |
| O6 | C22 | N10 | 122.8° | 118.3° |
| C24 | C23 | C25 | 110.5° | 109.4° |
| C24 | C23 | H39 | 107.9° | 109.5° |
| C23 | C24 | H40 | 109.5° | 109.5° |
| C23 | C24 | H41 | 109.5° | 109.4° |
| C23 | C24 | H42 | 109.5° | 109.4° |
| C25 | C23 | H39 | 108.0° | 109.4° |
| 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° | 109.5° |
| H40 | C24 | H42 | 109.5° | 109.5° |
| H41 | C24 | H42 | 109.5° | 109.5° |
| H43 | C25 | H44 | 109.5° | 109.5° |
| H43 | C25 | H45 | 109.4° | 109.4° |
| H44 | C25 | H45 | 109.5° | 109.4° |
| C26 | N10 | H46 | 119.4° | 117.1° |
| N10 | C26 | C27 | 108.7° | 109.5° |
| N10 | C26 | C28 | 112.9° | 110.0° |
| N10 | C26 | H47 | 108.9° | 108.5° |
| C26 | N10 | C22 | 121.3° | 121.0° |
| H46 | N10 | C22 | 119.4° | 121.9° |
| C27 | C26 | C28 | 110.5° | 110.0° |
| C27 | C26 | H47 | 108.1° | 109.7° |
| C26 | C27 | O7 | 121.0° | 119.4° |
| C26 | C27 | N11 | 115.5° | 121.2° |
| C28 | C26 | H47 | 107.8° | 109.0° |
| C26 | C28 | S2 | 115.0° | 108.8° |
| C26 | C28 | H48 | 108.1° | 109.7° |
| C26 | C28 | H49 | 108.1° | 109.5° |
| O7 | C27 | N11 | 123.5° | 119.4° |
| S2 | C28 | H48 | 108.1° | 109.5° |
| S2 | C28 | H49 | 108.1° | 109.7° |
| C28 | S2 | S3 | 103.7° | 102.8° |
| H48 | C28 | H49 | 109.5° | 109.6° |
| C29 | N11 | H50 | 119.3° | 120.3° |
| N11 | C29 | C30 | 110.3° | 111.4° |
| N11 | C29 | C31 | 110.1° | 109.4° |
| N11 | C29 | H51 | 109.3° | 109.3° |
| C29 | N11 | C27 | 121.4° | 120.1° |
| H50 | N11 | C27 | 119.3° | 119.6° |
| C30 | C29 | C31 | 110.9° | 108.5° |
| C30 | C29 | H51 | 108.2° | 109.2° |
| C29 | C30 | O8 | 120.7° | 118.9° |
| C29 | C30 | N15 | 114.7° | 121.5° |
| C31 | C29 | H51 | 108.0° | 109.1° |
| C29 | C31 | C32 | 114.0° | 109.5° |
| C29 | C31 | H52 | 108.3° | 109.5° |
| C29 | C31 | H53 | 108.3° | 109.5° |
| O8 | C30 | N15 | 124.6° | 119.6° |
| C32 | C31 | H52 | 108.3° | 109.4° |
| C32 | C31 | H53 | 108.3° | 109.5° |
| C31 | C32 | C33 | 111.1° | 109.5° |
| C31 | C32 | H54 | 109.1° | 109.5° |
| C31 | C32 | H55 | 109.1° | 109.4° |
| H52 | C31 | H53 | 109.5° | 109.4° |
| C33 | C32 | H54 | 109.0° | 109.5° |
| C33 | C32 | H55 | 109.1° | 109.5° |
| C32 | C33 | N12 | 111.3° | 109.5° |
| C32 | C33 | H56 | 109.0° | 109.5° |
| C32 | C33 | H57 | 109.0° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| N12 | C33 | H56 | 109.0° | 109.5° |
| N12 | C33 | H57 | 109.0° | 109.4° |
| C33 | N12 | C34 | 125.4° | 120.0° |
| C33 | N12 | H58 | 117.3° | 120.0° |
| H56 | C33 | H57 | 109.5° | 109.5° |
| C34 | N12 | H58 | 117.3° | 119.9° |
| N12 | C34 | N13 | 120.3° | 120.0° |
| N12 | C34 | N14 | 119.7° | 120.0° |
| N13 | C34 | N14 | 120.0° | 120.0° |
| C34 | N13 | H59 | 120.0° | 120.0° |
| C34 | N13 | H60 | 120.0° | 120.0° |
| C34 | N14 | H61 | 120.0° | 120.1° |
| C34 | N14 | H62 | 120.0° | 120.0° |
| H59 | N13 | H60 | 120.0° | 120.0° |
| H61 | N14 | H62 | 120.0° | 119.9° |
| C35 | N15 | H63 | 117.0° | 119.0° |
| N15 | C35 | C36 | 112.1° | 110.8° |
| N15 | C35 | C37 | 110.8° | 111.6° |
| N15 | C35 | H64 | 107.8° | 107.1° |
| C35 | N15 | C30 | 125.9° | 122.0° |
| H63 | N15 | C30 | 117.1° | 119.0° |
| C36 | C35 | C37 | 111.9° | 112.4° |
| C36 | C35 | H64 | 106.9° | 107.5° |
| C35 | C36 | O9 | 121.7° | 117.1° |
| C35 | C36 | N19 | 115.9° | 125.9° |
| C37 | C35 | H64 | 106.9° | 107.2° |
| C35 | C37 | C38 | 114.8° | 109.5° |
| C35 | C37 | H65 | 108.1° | 109.5° |
| C35 | C37 | H66 | 108.1° | 109.4° |
| O9 | C36 | N19 | 122.4° | 117.0° |
| C38 | C37 | H65 | 108.1° | 109.5° |
| C38 | C37 | H66 | 108.1° | 109.5° |
| C37 | C38 | C39 | 111.7° | 109.5° |
| C37 | C38 | H67 | 108.9° | 109.5° |
| C37 | C38 | H68 | 108.9° | 109.5° |
| H65 | C37 | H66 | 109.5° | 109.5° |
| C39 | C38 | H67 | 108.9° | 109.5° |
| C39 | C38 | H68 | 108.9° | 109.5° |
| C38 | C39 | N16 | 112.0° | 109.5° |
| C38 | C39 | H69 | 108.8° | 109.5° |
| C38 | C39 | H70 | 108.9° | 109.5° |
| H67 | C38 | H68 | 109.5° | 109.5° |
| N16 | C39 | H69 | 108.8° | 109.5° |
| N16 | C39 | H70 | 108.8° | 109.5° |
| C39 | N16 | C40 | 125.0° | 120.0° |
| C39 | N16 | H71 | 117.5° | 120.0° |
| H69 | C39 | H70 | 109.5° | 109.4° |
| C40 | N16 | H71 | 117.5° | 119.9° |
| N16 | C40 | N17 | 120.4° | 120.0° |
| N16 | C40 | N18 | 120.2° | 120.1° |
| N17 | C40 | N18 | 119.4° | 119.9° |
| C40 | N17 | H72 | 120.0° | 120.0° |
| C40 | N17 | H73 | 120.0° | 120.1° |
| C40 | N18 | H74 | 120.0° | 120.0° |
| C40 | N18 | H75 | 120.0° | 120.0° |
| H72 | N17 | H73 | 120.0° | 120.0° |
| H74 | N18 | H75 | 120.0° | 120.0° |
| C41 | N19 | H76 | 119.6° | 116.9° |
| N19 | C41 | C42 | 113.5° | 110.8° |
| N19 | C41 | H77 | 108.5° | 109.3° |
| N19 | C41 | H78 | 108.5° | 113.0° |
| C41 | N19 | C36 | 120.8° | 126.9° |
| H76 | N19 | C36 | 119.6° | 116.3° |
| C42 | C41 | H77 | 108.5° | 107.8° |
| C42 | C41 | H78 | 108.5° | 108.4° |
| C41 | C42 | O10 | 120.2° | 120.0° |
| C41 | C42 | N20 | 117.8° | 119.0° |
| H77 | C41 | H78 | 109.5° | 107.5° |
| O10 | C42 | N20 | 122.0° | 121.0° |
| C43 | N20 | H79 | 119.7° | 120.1° |
| N20 | C43 | C44 | 109.0° | 108.8° |
| N20 | C43 | C45 | 111.2° | 109.0° |
| N20 | C43 | H80 | 110.0° | 109.7° |
| C43 | N20 | C42 | 120.5° | 119.9° |
| H79 | N20 | C42 | 119.8° | 120.0° |
| C44 | C43 | C45 | 108.9° | 109.2° |
| C44 | C43 | H80 | 109.1° | 109.8° |
| C43 | C44 | O11 | 120.3° | 119.5° |
| C43 | C44 | N21 | 117.2° | 120.4° |
| C45 | C43 | H80 | 108.5° | 110.3° |
| C43 | C45 | C46 | 111.6° | 109.4° |
| C43 | C45 | C47 | 110.9° | 109.5° |
| C43 | C45 | H81 | 107.6° | 109.4° |
| O11 | C44 | N21 | 122.5° | 120.1° |
| C46 | C45 | C47 | 110.5° | 109.5° |
| C46 | C45 | H81 | 108.0° | 109.4° |
| C45 | C46 | H82 | 109.5° | 109.5° |
| C45 | C46 | H83 | 109.4° | 109.4° |
| C45 | C46 | H84 | 109.5° | 109.5° |
| C47 | C45 | H81 | 108.0° | 109.5° |
| C45 | C47 | H85 | 109.5° | 109.5° |
| C45 | C47 | H86 | 109.5° | 109.5° |
| C45 | C47 | H87 | 109.5° | 109.5° |
| H82 | C46 | H83 | 109.5° | 109.5° |
| H82 | C46 | H84 | 109.5° | 109.5° |
| H83 | C46 | H84 | 109.4° | 109.4° |
| H85 | C47 | H86 | 109.5° | 109.4° |
| H85 | C47 | H87 | 109.5° | 109.4° |
| H86 | C47 | H87 | 109.4° | 109.6° |
| C48 | N21 | H88 | 119.9° | 120.3° |
| N21 | C48 | C49 | 109.0° | 109.6° |
| N21 | C48 | C50 | 112.7° | 109.2° |
| N21 | C48 | H89 | 108.3° | 109.1° |
| C48 | N21 | C44 | 120.2° | 118.5° |
| H88 | N21 | C44 | 119.9° | 121.2° |
| C49 | C48 | C50 | 112.1° | 109.6° |
| C49 | C48 | H89 | 107.5° | 109.6° |
| C48 | C49 | O12 | 121.1° | 119.4° |
| C48 | C49 | N22 | 115.9° | 120.0° |
| C50 | C48 | H89 | 107.1° | 109.7° |
| C48 | C50 | S3 | 114.2° | 109.5° |
| C48 | C50 | H90 | 108.3° | 109.0° |
| C48 | C50 | H91 | 108.3° | 109.7° |
| O12 | C49 | N22 | 123.0° | 120.5° |
| S3 | C50 | H90 | 108.3° | 109.4° |
| S3 | C50 | H91 | 108.3° | 109.4° |
| C50 | S3 | S2 | 103.9° | 102.9° |
| H90 | C50 | H91 | 109.4° | 109.9° |
| C51 | N22 | H92 | 118.8° | 120.0° |
| N22 | C51 | C52 | 111.4° | 109.8° |
| N22 | C51 | C53 | 108.0° | 108.8° |
| N22 | C51 | H93 | 110.1° | 109.6° |
| C51 | N22 | C49 | 122.5° | 120.2° |
| H92 | N22 | C49 | 118.7° | 119.8° |
| C52 | C51 | C53 | 109.7° | 109.8° |
| C52 | C51 | H93 | 108.9° | 109.5° |
| C51 | C52 | O13 | 120.8° | 119.3° |
| C51 | C52 | N26 | 116.8° | 119.7° |
| C53 | C51 | H93 | 108.7° | 109.3° |
| C51 | C53 | C54 | 115.2° | 109.4° |
| C51 | C53 | H94 | 108.0° | 109.4° |
| C51 | C53 | H95 | 108.0° | 109.5° |
| O13 | C52 | N26 | 122.4° | 121.0° |
| C54 | C53 | H94 | 108.0° | 109.5° |
| C54 | C53 | H95 | 108.0° | 109.5° |
| C53 | C54 | C55 | 110.7° | 109.4° |
| C53 | C54 | H96 | 109.2° | 109.4° |
| C53 | C54 | H97 | 109.2° | 109.5° |
| H94 | C53 | H95 | 109.5° | 109.5° |
| C55 | C54 | H96 | 109.2° | 109.5° |
| C55 | C54 | H97 | 109.2° | 109.5° |
| C54 | C55 | N23 | 111.9° | 109.5° |
| C54 | C55 | H98 | 108.8° | 109.5° |
| C54 | C55 | H99 | 108.9° | 109.5° |
| H96 | C54 | H97 | 109.5° | 109.5° |
| N23 | C55 | H98 | 108.9° | 109.5° |
| N23 | C55 | H99 | 108.9° | 109.4° |
| C55 | N23 | C56 | 125.2° | 120.0° |
| C55 | N23 | H100 | 117.4° | 120.0° |
| H98 | C55 | H99 | 109.5° | 109.5° |
| C56 | N23 | H100 | 117.4° | 120.0° |
| N23 | C56 | N24 | 120.3° | 120.0° |
| N23 | C56 | N25 | 119.6° | 120.0° |
| N24 | C56 | N25 | 120.1° | 120.0° |
| C56 | N24 | H101 | 120.0° | 120.0° |
| C56 | N24 | H102 | 120.0° | 120.0° |
| C56 | N25 | H103 | 120.0° | 120.0° |
| C56 | N25 | H104 | 120.0° | 120.0° |
| H101 | N24 | H102 | 120.0° | 119.9° |
| H103 | N25 | H104 | 120.0° | 120.0° |
| C57 | N26 | H105 | 119.9° | 117.1° |
| N26 | C57 | C58 | 108.4° | 110.1° |
| N26 | C57 | C59 | 113.3° | 111.8° |
| N26 | C57 | H106 | 108.1° | 108.0° |
| C57 | N26 | C52 | 120.2° | 124.0° |
| H105 | N26 | C52 | 119.9° | 118.8° |
| C58 | C57 | C59 | 112.5° | 110.9° |
| C58 | C57 | H106 | 107.3° | 107.8° |
| C57 | C58 | O14 | 121.1° | 119.7° |
| C57 | C58 | N27 | 115.4° | 120.3° |
| C59 | C57 | H106 | 106.9° | 108.0° |
| C57 | C59 | S4 | 113.5° | 109.5° |
| C57 | C59 | H107 | 108.5° | 110.7° |
| C57 | C59 | H108 | 108.4° | 109.4° |
| O14 | C58 | N27 | 123.3° | 120.0° |
| S4 | C59 | H107 | 108.4° | 109.4° |
| S4 | C59 | H108 | 108.5° | 108.8° |
| C59 | S4 | S1 | 104.0° | 103.1° |
| H107 | C59 | H108 | 109.5° | 109.0° |
| C60 | N27 | H109 | 119.7° | 119.6° |
| N27 | C60 | C61 | 112.0° | 110.6° |
| N27 | C60 | C62 | 110.2° | 108.9° |
| N27 | C60 | H110 | 108.5° | 109.2° |
| C60 | N27 | C58 | 120.7° | 121.1° |
| H109 | N27 | C58 | 119.7° | 119.4° |
| C61 | C60 | C62 | 111.5° | 109.4° |
| C61 | C60 | H110 | 107.3° | 109.5° |
| C60 | C61 | O15 | 121.3° | 120.1° |
| C60 | C61 | N28 | 115.7° | 119.9° |
| C62 | C60 | H110 | 107.0° | 109.2° |
| C60 | C62 | C63 | 112.5° | 109.5° |
| C60 | C62 | C64 | 111.4° | 109.5° |
| C60 | C62 | H111 | 106.8° | 109.5° |
| O15 | C61 | N28 | 122.9° | 120.1° |
| C63 | C62 | C64 | 111.3° | 109.5° |
| C63 | C62 | H111 | 107.2° | 109.5° |
| C62 | C63 | H112 | 109.5° | 109.5° |
| C62 | C63 | H113 | 109.5° | 109.5° |
| C62 | C63 | H114 | 109.5° | 109.5° |
| C64 | C62 | H111 | 107.3° | 109.4° |
| C62 | C64 | H115 | 109.5° | 109.5° |
| C62 | C64 | H116 | 109.4° | 109.5° |
| C62 | C64 | H117 | 109.5° | 109.4° |
| H112 | C63 | H113 | 109.5° | 109.4° |
| H112 | C63 | H114 | 109.4° | 109.4° |
| H113 | C63 | H114 | 109.5° | 109.5° |
| H115 | C64 | H116 | 109.5° | 109.5° |
| H115 | C64 | H117 | 109.5° | 109.4° |
| H116 | C64 | H117 | 109.5° | 109.4° |
| C65 | N28 | H118 | 118.9° | 119.7° |
| N28 | C65 | C66 | 109.4° | 110.2° |
| N28 | C65 | C67 | 110.7° | 109.1° |
| N28 | C65 | H119 | 109.5° | 109.6° |
| C65 | N28 | C61 | 122.1° | 120.7° |
| H118 | N28 | C61 | 119.0° | 119.6° |
| C66 | C65 | C67 | 110.5° | 109.1° |
| C66 | C65 | H119 | 108.4° | 109.6° |
| C65 | C66 | O16 | 121.3° | 120.0° |
| C65 | C66 | N29 | 115.8° | 119.7° |
| C67 | C65 | H119 | 108.3° | 109.2° |
| C65 | C67 | C68 | 114.2° | 109.5° |
| C65 | C67 | H120 | 108.3° | 109.5° |
| C65 | C67 | H121 | 108.3° | 109.5° |
| O16 | C66 | N29 | 122.8° | 120.2° |
| C68 | C67 | H120 | 108.3° | 109.5° |
| C68 | C67 | H121 | 108.3° | 109.4° |
| C67 | C68 | H122 | 109.5° | 109.5° |
| C67 | C68 | H123 | 109.4° | 109.5° |
| C67 | C68 | H124 | 109.4° | 109.5° |
| H120 | C67 | H121 | 109.5° | 109.5° |
| H122 | C68 | H123 | 109.5° | 109.4° |
| H122 | C68 | H124 | 109.5° | 109.4° |
| H123 | C68 | H124 | 109.5° | 109.5° |
| C69 | N29 | H125 | 118.5° | 120.5° |
| N29 | C69 | C70 | 107.7° | 111.4° |
| N29 | C69 | C71 | 109.8° | 111.0° |
| N29 | C69 | H126 | 110.4° | 107.0° |
| C69 | N29 | C66 | 123.0° | 120.7° |
| H125 | N29 | C66 | 118.5° | 118.8° |
| C70 | C69 | C71 | 111.0° | 112.3° |
| C70 | C69 | H126 | 109.1° | 107.5° |
| C69 | C70 | O17 | 120.9° | 115.9° |
| C69 | C70 | N33 | 114.9° | 128.7° |
| C71 | C69 | H126 | 108.9° | 107.3° |
| C69 | C71 | C72 | 115.6° | 109.5° |
| C69 | C71 | H127 | 107.9° | 109.5° |
| C69 | C71 | H128 | 107.9° | 109.5° |
| O17 | C70 | N33 | 123.9° | 115.5° |
| C72 | C71 | H127 | 107.9° | 109.5° |
| C72 | C71 | H128 | 107.9° | 109.5° |
| C71 | C72 | C73 | 114.6° | 109.5° |
| C71 | C72 | H129 | 108.2° | 109.4° |
| C71 | C72 | H130 | 108.2° | 109.4° |
| H127 | C71 | H128 | 109.5° | 109.4° |
| C73 | C72 | H129 | 108.2° | 109.5° |
| C73 | C72 | H130 | 108.2° | 109.5° |
| C72 | C73 | N30 | 114.6° | 109.5° |
| C72 | C73 | H131 | 108.2° | 109.4° |
| C72 | C73 | H132 | 108.2° | 109.4° |
| H129 | C72 | H130 | 109.5° | 109.5° |
| N30 | C73 | H131 | 108.2° | 109.5° |
| N30 | C73 | H132 | 108.2° | 109.5° |
| C73 | N30 | C74 | 124.6° | 120.0° |
| C73 | N30 | H133 | 117.7° | 120.0° |
| H131 | C73 | H132 | 109.4° | 109.5° |
| C74 | N30 | H133 | 117.7° | 120.0° |
| N30 | C74 | N31 | 120.7° | 120.0° |
| N30 | C74 | N32 | 119.5° | 120.0° |
| N31 | C74 | N32 | 119.8° | 120.0° |
| C74 | N31 | H134 | 120.0° | 120.0° |
| C74 | N31 | H135 | 120.0° | 120.0° |
| C74 | N32 | H136 | 120.0° | 120.0° |
| C74 | N32 | H137 | 120.0° | 120.0° |
| H134 | N31 | H135 | 120.0° | 120.0° |
| H136 | N32 | H137 | 120.0° | 120.0° |
| C75 | N33 | H138 | 117.5° | 116.0° |
| N33 | C75 | C76 | 111.4° | 108.8° |
| N33 | C75 | C77 | 111.4° | 109.7° |
| N33 | C75 | H139 | 108.5° | 111.3° |
| C75 | N33 | C70 | 125.1° | 128.2° |
| H138 | N33 | C70 | 117.5° | 115.8° |
| C76 | C75 | C77 | 109.7° | 109.0° |
| C76 | C75 | H139 | 107.8° | 108.2° |
| C75 | C76 | O18 | 121.7° | 118.9° |
| C75 | C76 | N1 | 115.9° | 121.9° |
| C77 | C75 | H139 | 107.9° | 109.9° |
| C75 | C77 | C78 | 113.4° | 109.5° |
| C75 | C77 | H140 | 108.5° | 109.5° |
| C75 | C77 | H141 | 108.5° | 109.4° |
| O18 | C76 | N1 | 122.4° | 119.3° |
| C78 | C77 | H140 | 108.5° | 109.5° |
| C78 | C77 | H141 | 108.5° | 109.5° |
| C77 | C78 | C79 | 111.8° | 109.5° |
| C77 | C78 | H142 | 108.9° | 109.5° |
| C77 | C78 | H143 | 108.9° | 109.5° |
| H140 | C77 | H141 | 109.4° | 109.5° |
| C79 | C78 | H142 | 108.9° | 109.5° |
| C79 | C78 | H143 | 108.9° | 109.5° |
| C78 | C79 | N34 | 111.8° | 109.5° |
| C78 | C79 | H144 | 108.9° | 109.5° |
| C78 | C79 | H145 | 108.9° | 109.5° |
| H142 | C78 | H143 | 109.5° | 109.5° |
| N34 | C79 | H144 | 108.9° | 109.5° |
| N34 | C79 | H145 | 108.9° | 109.4° |
| C79 | N34 | C80 | 124.7° | 120.0° |
| C79 | N34 | H146 | 117.6° | 120.0° |
| H144 | C79 | H145 | 109.5° | 109.5° |
| C80 | N34 | H146 | 117.7° | 120.0° |
| N34 | C80 | N35 | 120.4° | 120.0° |
| N34 | C80 | N36 | 119.7° | 120.0° |
| N35 | C80 | N36 | 119.9° | 120.0° |
| C80 | N35 | H147 | 120.0° | 120.0° |
| C80 | N35 | H148 | 120.0° | 120.0° |
| C80 | N36 | H149 | 120.0° | 120.0° |
| C80 | N36 | H150 | 120.0° | 119.9° |
| H147 | N35 | H148 | 120.0° | 120.1° |
| H149 | N36 | H150 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C76 | 180.0° | 178.5° |
| N1 | C1 | C2 | H2 | 120.5° | 119.7° |
| N1 | C1 | C2 | H3 | 120.5° | 120.4° |
| N1 | C1 | H2 | H3 | 118.3° | 120.1° |
| N1 | C1 | C2 | O1 | 145.0° | 92.4° |
| C1 | N1 | C76 | C75 | 178.9° | 172.8° |
| C1 | N1 | C76 | O18 | 3.3° | 8.0° |
| N1 | C1 | C2 | N2 | 33.6° | 87.8° |
| H1 | N1 | C1 | C2 | 69.2° | 32.7° |
| H1 | N1 | C1 | H2 | 51.4° | 152.3° |
| H1 | N1 | C1 | H3 | 170.3° | 87.7° |
| H1 | N1 | C76 | C75 | 1.1° | 8.7° |
| H1 | N1 | C76 | O18 | 176.7° | 170.5° |
| C2 | C1 | H2 | H3 | 118.3° | 120.1° |
| C1 | C2 | O1 | N2 | 178.6° | 179.8° |
| C1 | C2 | N2 | C3 | 178.9° | 178.9° |
| C1 | C2 | N2 | H4 | 1.1° | 1.1° |
| C2 | C1 | N1 | C76 | 110.8° | 148.7° |
| H2 | C1 | C2 | O1 | 24.5° | 27.3° |
| H2 | C1 | N1 | C76 | 128.6° | 29.1° |
| H2 | C1 | C2 | N2 | 154.2° | 152.5° |
| H3 | C1 | C2 | O1 | 94.4° | 147.2° |
| H3 | C1 | N1 | C76 | 9.7° | 90.8° |
| H3 | C1 | C2 | N2 | 86.9° | 32.6° |
| O1 | C2 | N2 | C3 | 2.4° | 0.9° |
| O1 | C2 | N2 | H4 | 177.5° | 179.1° |
| C3 | N2 | H4 | C2 | 180.0° | 180.0° |
| N2 | C3 | C4 | C5 | 128.3° | 119.9° |
| N2 | C3 | C4 | H5 | 116.3° | 120.6° |
| N2 | C3 | C5 | H5 | 117.5° | 120.3° |
| N2 | C3 | C4 | O2 | 57.4° | 21.3° |
| N2 | C3 | C5 | C6 | 59.5° | 60.0° |
| N2 | C3 | C5 | C7 | 175.3° | 60.0° |
| N2 | C3 | C5 | H6 | 58.5° | 179.9° |
| N2 | C3 | C4 | N3 | 120.2° | 158.4° |
| H4 | N2 | C3 | C4 | 81.4° | 23.0° |
| H4 | N2 | C3 | C5 | 46.1° | 96.5° |
| H4 | N2 | C3 | H5 | 162.9° | 143.4° |
| C4 | C3 | C5 | H5 | 115.8° | 119.5° |
| C3 | C4 | O2 | N3 | 177.4° | 179.8° |
| C4 | C3 | C5 | C6 | 67.2° | 179.8° |
| C4 | C3 | C5 | C7 | 57.9° | 60.2° |
| C4 | C3 | C5 | H6 | 174.8° | 59.8° |
| C3 | C4 | N3 | C8 | 179.2° | 173.4° |
| C3 | C4 | N3 | H13 | 0.9° | 7.0° |
| C4 | C3 | N2 | C2 | 98.6° | 157.0° |
| C5 | C3 | C4 | O2 | 70.9° | 98.5° |
| C3 | C5 | C6 | C7 | 125.3° | 120.0° |
| C3 | C5 | C6 | H6 | 117.6° | 120.0° |
| C3 | C5 | C7 | H6 | 116.5° | 120.1° |
| C3 | C5 | C6 | H7 | 180.0° | 60.0° |
| C3 | C5 | C6 | H8 | 60.0° | 180.0° |
| C3 | C5 | C6 | H9 | 60.0° | 60.0° |
| C3 | C5 | C7 | H10 | 180.0° | 60.0° |
| C3 | C5 | C7 | H11 | 60.0° | 180.0° |
| C3 | C5 | C7 | H12 | 60.0° | 60.0° |
| C5 | C3 | N2 | C2 | 133.9° | 83.4° |
| C5 | C3 | C4 | N3 | 111.5° | 81.7° |
| H5 | C3 | C4 | O2 | 173.7° | 141.9° |
| H5 | C3 | C5 | C6 | 177.0° | 60.3° |
| H5 | C3 | C5 | C7 | 57.8° | 179.7° |
| H5 | C3 | C5 | H6 | 59.1° | 59.6° |
| H5 | C3 | N2 | C2 | 17.2° | 36.7° |
| H5 | C3 | C4 | N3 | 3.9° | 37.8° |
| O2 | C4 | N3 | C8 | 1.6° | 6.9° |
| O2 | C4 | N3 | H13 | 178.4° | 172.8° |
| C6 | C5 | C7 | H6 | 117.1° | 119.9° |
| C5 | C6 | H7 | H8 | 120.0° | 120.1° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 53.6° | 180.0° |
| C6 | C5 | C7 | H11 | 66.4° | 60.0° |
| C6 | C5 | C7 | H12 | 173.7° | 60.0° |
| C7 | C5 | C6 | H7 | 54.7° | 60.0° |
| C7 | C5 | C6 | H8 | 174.7° | 60.0° |
| C7 | C5 | C6 | H9 | 65.3° | 180.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 62.4° | 180.0° |
| H6 | C5 | C6 | H8 | 57.6° | 60.0° |
| H6 | C5 | C6 | H9 | 177.6° | 60.0° |
| H6 | C5 | C7 | H10 | 63.5° | 60.0° |
| H6 | C5 | C7 | H11 | 176.5° | 59.9° |
| H6 | C5 | C7 | H12 | 56.6° | 180.0° |
| H7 | C6 | H8 | H9 | 120.0° | 119.9° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| C8 | N3 | H13 | C4 | 180.0° | 179.7° |
| N3 | C8 | C9 | C10 | 122.3° | 122.0° |
| N3 | C8 | C9 | H14 | 119.2° | 119.7° |
| N3 | C8 | C10 | H14 | 120.2° | 118.8° |
| N3 | C8 | C9 | O3 | 60.0° | 80.6° |
| N3 | C8 | C10 | C11 | 178.1° | 65.0° |
| N3 | C8 | C10 | H15 | 57.5° | 55.1° |
| N3 | C8 | C10 | H16 | 61.3° | 175.0° |
| N3 | C8 | C9 | N4 | 117.4° | 100.1° |
| H13 | N3 | C8 | C9 | 100.0° | 122.0° |
| H13 | N3 | C8 | C10 | 22.0° | 116.2° |
| H13 | N3 | C8 | H14 | 141.4° | 2.4° |
| C9 | C8 | C10 | H14 | 118.7° | 118.4° |
| C8 | C9 | O3 | N4 | 177.2° | 179.3° |
| C9 | C8 | C10 | C11 | 60.8° | 172.2° |
| C9 | C8 | C10 | H15 | 178.6° | 67.7° |
| C9 | C8 | C10 | H16 | 59.9° | 52.2° |
| C8 | C9 | N4 | C12 | 178.4° | 179.7° |
| C8 | C9 | N4 | H20 | 1.7° | 0.1° |
| C9 | C8 | N3 | C4 | 80.0° | 57.7° |
| C10 | C8 | C9 | O3 | 62.3° | 41.4° |
| C8 | C10 | C11 | H15 | 120.6° | 120.0° |
| C8 | C10 | C11 | H16 | 120.7° | 120.0° |
| C8 | C10 | H15 | H16 | 118.0° | 119.9° |
| C8 | C10 | C11 | H17 | 180.0° | 180.0° |
| C8 | C10 | C11 | H18 | 60.0° | 60.0° |
| C8 | C10 | C11 | H19 | 60.0° | 60.0° |
| C10 | C8 | N3 | C4 | 158.0° | 64.2° |
| C10 | C8 | C9 | N4 | 120.3° | 137.9° |
| H14 | C8 | C9 | O3 | 179.2° | 159.7° |
| H14 | C8 | C10 | C11 | 57.9° | 53.8° |
| H14 | C8 | C10 | H15 | 62.7° | 173.9° |
| H14 | C8 | C10 | H16 | 178.6° | 66.2° |
| H14 | C8 | N3 | C4 | 38.7° | 177.2° |
| H14 | C8 | C9 | N4 | 1.8° | 19.6° |
| O3 | C9 | N4 | C12 | 4.3° | 0.4° |
| O3 | C9 | N4 | H20 | 175.7° | 179.2° |
| C11 | C10 | H15 | H16 | 118.0° | 120.0° |
| C10 | C11 | H17 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 119.9° |
| H15 | C10 | C11 | H17 | 59.4° | 60.0° |
| H15 | C10 | C11 | H18 | 179.4° | 180.0° |
| H15 | C10 | C11 | H19 | 60.6° | 60.1° |
| H16 | C10 | C11 | H17 | 59.3° | 60.0° |
| H16 | C10 | C11 | H18 | 60.7° | 60.0° |
| H16 | C10 | C11 | H19 | 179.3° | 180.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| C12 | N4 | H20 | C9 | 180.0° | 179.6° |
| N4 | C12 | C13 | C14 | 121.9° | 121.9° |
| N4 | C12 | C13 | H21 | 119.2° | 118.5° |
| N4 | C12 | C14 | H21 | 121.2° | 118.1° |
| N4 | C12 | C13 | O4 | 38.7° | 70.7° |
| N4 | C12 | C14 | C15 | 65.4° | 66.5° |
| N4 | C12 | C14 | H22 | 55.6° | 53.5° |
| N4 | C12 | C14 | H23 | 173.6° | 173.5° |
| N4 | C12 | C13 | N8 | 138.7° | 109.0° |
| H20 | N4 | C12 | C13 | 57.9° | 24.9° |
| H20 | N4 | C12 | C14 | 63.0° | 98.2° |
| H20 | N4 | C12 | H21 | 176.6° | 143.5° |
| C13 | C12 | C14 | H21 | 119.3° | 119.5° |
| C12 | C13 | O4 | N8 | 177.2° | 179.8° |
| C13 | C12 | C14 | C15 | 175.2° | 171.1° |
| C13 | C12 | C14 | H22 | 63.9° | 68.9° |
| C13 | C12 | C14 | H23 | 54.2° | 51.1° |
| C12 | C13 | N8 | C18 | 179.8° | 179.5° |
| C12 | C13 | N8 | H33 | 0.2° | 1.4° |
| C13 | C12 | N4 | C9 | 122.2° | 154.7° |
| C14 | C12 | C13 | O4 | 83.2° | 167.4° |
| C12 | C14 | C15 | H22 | 121.0° | 120.1° |
| C12 | C14 | C15 | H23 | 121.0° | 120.0° |
| C12 | C14 | H22 | H23 | 116.9° | 120.0° |
| C12 | C14 | C15 | C16 | 67.2° | 174.5° |
| C12 | C14 | C15 | H24 | 53.4° | 54.5° |
| C12 | C14 | C15 | H25 | 172.3° | 65.5° |
| C14 | C12 | N4 | C9 | 117.0° | 82.2° |
| C14 | C12 | C13 | N8 | 99.4° | 12.9° |
| H21 | C12 | C13 | O4 | 157.9° | 47.8° |
| H21 | C12 | C14 | C15 | 55.8° | 51.6° |
| H21 | C12 | C14 | H22 | 176.8° | 171.6° |
| H21 | C12 | C14 | H23 | 65.1° | 68.4° |
| H21 | C12 | N4 | C9 | 3.5° | 36.1° |
| H21 | C12 | C13 | N8 | 19.5° | 132.4° |
| O4 | C13 | N8 | C18 | 2.9° | 0.7° |
| O4 | C13 | N8 | H33 | 177.1° | 178.3° |
| C15 | C14 | H22 | H23 | 117.0° | 120.0° |
| C14 | C15 | C16 | H24 | 120.6° | 120.0° |
| C14 | C15 | C16 | H25 | 120.6° | 120.0° |
| C14 | C15 | H24 | H25 | 118.3° | 120.0° |
| C14 | C15 | C16 | N5 | 67.8° | 173.9° |
| C14 | C15 | C16 | H26 | 171.6° | 66.1° |
| C14 | C15 | C16 | H27 | 52.7° | 53.9° |
| H22 | C14 | C15 | C16 | 171.8° | 65.4° |
| H22 | C14 | C15 | H24 | 67.6° | 174.6° |
| H22 | C14 | C15 | H25 | 51.3° | 54.6° |
| H23 | C14 | C15 | C16 | 53.8° | 54.5° |
| H23 | C14 | C15 | H24 | 174.3° | 65.5° |
| H23 | C14 | C15 | H25 | 66.8° | 174.5° |
| C16 | C15 | H24 | H25 | 118.3° | 120.0° |
| C15 | C16 | N5 | H26 | 120.5° | 120.0° |
| C15 | C16 | N5 | H27 | 120.6° | 120.0° |
| C15 | C16 | H26 | H27 | 118.3° | 120.0° |
| C15 | C16 | N5 | C17 | 163.8° | 174.7° |
| C15 | C16 | N5 | H28 | 16.2° | 5.3° |
| H24 | C15 | C16 | N5 | 52.7° | 53.9° |
| H24 | C15 | C16 | H26 | 67.8° | 173.9° |
| H24 | C15 | C16 | H27 | 173.3° | 66.1° |
| H25 | C15 | C16 | N5 | 171.6° | 66.1° |
| H25 | C15 | C16 | H26 | 51.0° | 53.9° |
| H25 | C15 | C16 | H27 | 67.9° | 173.9° |
| N5 | C16 | H26 | H27 | 118.3° | 120.0° |
| C16 | N5 | C17 | H28 | 180.0° | 180.0° |
| C16 | N5 | C17 | N6 | 0.3° | 4.8° |
| C16 | N5 | C17 | N7 | 179.2° | 175.3° |
| H26 | C16 | N5 | C17 | 75.7° | 65.3° |
| H26 | C16 | N5 | H28 | 104.4° | 114.7° |
| H27 | C16 | N5 | C17 | 43.3° | 54.7° |
| H27 | C16 | N5 | H28 | 136.7° | 125.3° |
| N5 | C17 | N6 | N7 | 179.5° | 180.0° |
| N5 | C17 | N6 | H29 | 179.5° | 0.0° |
| N5 | C17 | N6 | H30 | 0.5° | 180.0° |
| N5 | C17 | N7 | H31 | 179.5° | 179.9° |
| N5 | C17 | N7 | H32 | 0.5° | 0.1° |
| H28 | N5 | C17 | N6 | 179.7° | 175.2° |
| H28 | N5 | C17 | N7 | 0.8° | 4.8° |
| C17 | N6 | H29 | H30 | 180.0° | 179.9° |
| N6 | C17 | N7 | H31 | 0.0° | 0.1° |
| N6 | C17 | N7 | H32 | 180.0° | 179.9° |
| N7 | C17 | N6 | H29 | 0.0° | 179.9° |
| N7 | C17 | N6 | H30 | 180.0° | 0.0° |
| C17 | N7 | H31 | H32 | 180.0° | 179.8° |
| C18 | N8 | H33 | C13 | 180.0° | 179.1° |
| N8 | C18 | C19 | C20 | 125.2° | 120.0° |
| N8 | C18 | C19 | H34 | 117.6° | 120.2° |
| N8 | C18 | C20 | H34 | 119.4° | 120.1° |
| N8 | C18 | C19 | O5 | 48.6° | 14.7° |
| N8 | C18 | C20 | S1 | 50.2° | 50.8° |
| N8 | C18 | C20 | H35 | 70.5° | 69.4° |
| N8 | C18 | C20 | H36 | 171.0° | 170.9° |
| N8 | C18 | C19 | N9 | 130.2° | 165.1° |
| H33 | N8 | C18 | C19 | 75.4° | 106.3° |
| H33 | N8 | C18 | C20 | 48.9° | 13.2° |
| H33 | N8 | C18 | H34 | 167.6° | 133.4° |
| C19 | C18 | C20 | H34 | 117.3° | 119.8° |
| C18 | C19 | O5 | N9 | 178.7° | 179.8° |
| C19 | C18 | C20 | S1 | 173.6° | 170.9° |
| C19 | C18 | C20 | H35 | 52.8° | 50.6° |
| C19 | C18 | C20 | H36 | 65.7° | 69.0° |
| C18 | C19 | N9 | C21 | 176.0° | 178.9° |
| C18 | C19 | N9 | H37 | 4.0° | 1.2° |
| C19 | C18 | N8 | C13 | 104.6° | 72.8° |
| C20 | C18 | C19 | O5 | 76.6° | 134.7° |
| C18 | C20 | S1 | H35 | 120.8° | 120.0° |
| C18 | C20 | S1 | H36 | 120.7° | 120.2° |
| C18 | C20 | H35 | H36 | 117.8° | 119.7° |
| C20 | C18 | N8 | C13 | 131.1° | 167.7° |
| C20 | C18 | C19 | N9 | 104.6° | 45.1° |
| C18 | C20 | S1 | S4 | 110.5° | 168.3° |
| H34 | C18 | C19 | O5 | 166.2° | 105.5° |
| H34 | C18 | C20 | S1 | 69.2° | 69.3° |
| H34 | C18 | C20 | H35 | 170.1° | 170.4° |
| H34 | C18 | C20 | H36 | 51.5° | 50.8° |
| H34 | C18 | N8 | C13 | 12.4° | 47.5° |
| H34 | C18 | C19 | N9 | 12.6° | 74.7° |
| O5 | C19 | N9 | C21 | 2.8° | 1.3° |
| O5 | C19 | N9 | H37 | 177.2° | 178.6° |
| S1 | C20 | H35 | H36 | 117.7° | 119.7° |
| C20 | S1 | S4 | C59 | 98.0° | 112.5° |
| H35 | C20 | S1 | S4 | 128.7° | 71.7° |
| H36 | C20 | S1 | S4 | 10.2° | 48.1° |
| C21 | N9 | H37 | C19 | 180.0° | 179.9° |
| N9 | C21 | C22 | C23 | 121.4° | 121.2° |
| N9 | C21 | C22 | H38 | 120.6° | 118.9° |
| N9 | C21 | C23 | H38 | 121.3° | 118.4° |
| N9 | C21 | C22 | O6 | 49.4° | 52.5° |
| N9 | C21 | C23 | C24 | 177.1° | 64.8° |
| N9 | C21 | C23 | C25 | 53.2° | 55.2° |
| N9 | C21 | C23 | H39 | 64.9° | 175.2° |
| N9 | C21 | C22 | N10 | 127.8° | 126.8° |
| H37 | N9 | C21 | C22 | 60.8° | 66.2° |
| H37 | N9 | C21 | C23 | 59.0° | 56.5° |
| H37 | N9 | C21 | H38 | 179.3° | 174.9° |
| C22 | C21 | C23 | H38 | 118.5° | 119.9° |
| C21 | C22 | O6 | N10 | 177.0° | 179.4° |
| C22 | C21 | C23 | C24 | 62.8° | 173.6° |
| C22 | C21 | C23 | C25 | 173.3° | 66.4° |
| C22 | C21 | C23 | H39 | 55.2° | 53.6° |
| C21 | C22 | N10 | C26 | 173.9° | 167.2° |
| C21 | C22 | N10 | H46 | 6.1° | 14.7° |
| C22 | C21 | N9 | C19 | 119.2° | 113.7° |
| C23 | C21 | C22 | O6 | 72.0° | 173.7° |
| C21 | C23 | C24 | C25 | 124.4° | 120.0° |
| C21 | C23 | C24 | H39 | 117.7° | 120.1° |
| C21 | C23 | C25 | H39 | 117.8° | 120.0° |
| C21 | C23 | C24 | H40 | 180.0° | 65.0° |
| C21 | C23 | C24 | H41 | 60.0° | 175.0° |
| C21 | C23 | C24 | H42 | 60.0° | 55.0° |
| C21 | C23 | C25 | H43 | 180.0° | 63.0° |
| C21 | C23 | C25 | H44 | 60.0° | 176.9° |
| C21 | C23 | C25 | H45 | 60.0° | 56.9° |
| C23 | C21 | N9 | C19 | 121.0° | 123.6° |
| C23 | C21 | C22 | N10 | 110.9° | 5.6° |
| H38 | C21 | C22 | O6 | 169.9° | 66.4° |
| H38 | C21 | C23 | C24 | 55.7° | 53.7° |
| H38 | C21 | C23 | C25 | 68.1° | 173.6° |
| H38 | C21 | C23 | H39 | 173.7° | 66.4° |
| H38 | C21 | N9 | C19 | 0.7° | 5.2° |
| H38 | C21 | C22 | N10 | 7.2° | 114.2° |
| O6 | C22 | N10 | C26 | 9.1° | 13.5° |
| O6 | C22 | N10 | H46 | 170.9° | 164.7° |
| C24 | C23 | C25 | H39 | 117.8° | 120.0° |
| C23 | C24 | H40 | H41 | 120.0° | 120.0° |
| C23 | C24 | H40 | H42 | 120.0° | 119.9° |
| C23 | C24 | H41 | H42 | 120.0° | 119.9° |
| C24 | C23 | C25 | H43 | 55.6° | 177.0° |
| C24 | C23 | C25 | H44 | 64.4° | 57.0° |
| C24 | C23 | C25 | H45 | 175.6° | 63.0° |
| C25 | C23 | C24 | H40 | 55.6° | 55.0° |
| C25 | C23 | C24 | H41 | 175.6° | 65.1° |
| C25 | C23 | C24 | H42 | 64.4° | 175.0° |
| C23 | C25 | H43 | H44 | 120.0° | 120.1° |
| C23 | C25 | H43 | H45 | 120.0° | 120.0° |
| C23 | C25 | H44 | H45 | 120.0° | 120.0° |
| H39 | C23 | C24 | H40 | 62.3° | 174.9° |
| H39 | C23 | C24 | H41 | 57.7° | 54.9° |
| H39 | C23 | C24 | H42 | 177.7° | 65.1° |
| H39 | C23 | C25 | H43 | 62.2° | 57.0° |
| H39 | C23 | C25 | H44 | 177.8° | 63.0° |
| H39 | C23 | C25 | H45 | 57.8° | 177.0° |
| H40 | C24 | H41 | H42 | 120.0° | 120.1° |
| H43 | C25 | H44 | H45 | 120.0° | 119.9° |
| C26 | N10 | H46 | C22 | 180.0° | 178.2° |
| N10 | C26 | C27 | C28 | 124.3° | 121.0° |
| N10 | C26 | C27 | H47 | 118.0° | 119.0° |
| N10 | C26 | C28 | H47 | 120.2° | 118.8° |
| N10 | C26 | C27 | O7 | 43.9° | 15.0° |
| N10 | C26 | C28 | S2 | 64.5° | 101.6° |
| N10 | C26 | C28 | H48 | 56.3° | 18.2° |
| N10 | C26 | C28 | H49 | 174.7° | 138.5° |
| N10 | C26 | C27 | N11 | 134.1° | 165.5° |
| H46 | N10 | C26 | C27 | 75.2° | 125.8° |
| H46 | N10 | C26 | C28 | 47.7° | 113.2° |
| H46 | N10 | C26 | H47 | 167.3° | 6.0° |
| C27 | C26 | C28 | H47 | 117.9° | 120.4° |
| C26 | C27 | O7 | N11 | 177.8° | 179.5° |
| C27 | C26 | C28 | S2 | 173.7° | 137.7° |
| C27 | C26 | C28 | H48 | 65.5° | 102.6° |
| C27 | C26 | C28 | H49 | 52.8° | 17.7° |
| C26 | C27 | N11 | C29 | 177.0° | 176.7° |
| C26 | C27 | N11 | H50 | 3.0° | 3.8° |
| C27 | C26 | N10 | C22 | 104.8° | 56.0° |
| C28 | C26 | C27 | O7 | 80.4° | 106.0° |
| C26 | C28 | S2 | H48 | 120.8° | 119.9° |
| C26 | C28 | S2 | H49 | 120.8° | 119.8° |
| C26 | C28 | H48 | H49 | 117.5° | 120.2° |
| C28 | C26 | N10 | C22 | 132.3° | 65.1° |
| C28 | C26 | C27 | N11 | 101.6° | 73.5° |
| C26 | C28 | S2 | S3 | 93.8° | 149.5° |
| H47 | C26 | C27 | O7 | 161.9° | 134.0° |
| H47 | C26 | C28 | S2 | 55.8° | 17.3° |
| H47 | C26 | C28 | H48 | 176.6° | 137.0° |
| H47 | C26 | C28 | H49 | 65.0° | 102.7° |
| H47 | C26 | N10 | C22 | 12.7° | 175.8° |
| H47 | C26 | C27 | N11 | 16.1° | 46.5° |
| O7 | C27 | N11 | C29 | 0.9° | 3.9° |
| O7 | C27 | N11 | H50 | 179.1° | 175.7° |
| S2 | C28 | H48 | H49 | 117.5° | 120.4° |
| C28 | S2 | S3 | C50 | 110.7° | 49.5° |
| H48 | C28 | S2 | S3 | 145.4° | 90.6° |
| H49 | C28 | S2 | S3 | 27.0° | 29.7° |
| C29 | N11 | H50 | C27 | 180.0° | 179.5° |
| N11 | C29 | C30 | C31 | 122.2° | 120.4° |
| N11 | C29 | C30 | H51 | 119.5° | 120.8° |
| N11 | C29 | C31 | H51 | 119.3° | 119.5° |
| N11 | C29 | C30 | O8 | 64.3° | 76.4° |
| N11 | C29 | C31 | C32 | 170.4° | 175.0° |
| N11 | C29 | C31 | H52 | 49.8° | 55.0° |
| N11 | C29 | C31 | H53 | 68.9° | 65.0° |
| N11 | C29 | C30 | N15 | 112.9° | 103.7° |
| H50 | N11 | C29 | C30 | 29.9° | 8.9° |
| H50 | N11 | C29 | C31 | 92.7° | 111.0° |
| H50 | N11 | C29 | H51 | 148.8° | 129.7° |
| C30 | C29 | C31 | H51 | 118.4° | 118.8° |
| C29 | C30 | O8 | N15 | 176.9° | 180.0° |
| C30 | C29 | C31 | C32 | 67.3° | 63.3° |
| C30 | C29 | C31 | H52 | 172.1° | 176.7° |
| C30 | C29 | C31 | H53 | 53.4° | 56.7° |
| C29 | C30 | N15 | C35 | 177.0° | 154.2° |
| C29 | C30 | N15 | H63 | 3.0° | 25.4° |
| C30 | C29 | N11 | C27 | 150.1° | 170.6° |
| C31 | C29 | C30 | O8 | 57.9° | 44.1° |
| C29 | C31 | C32 | H52 | 120.7° | 120.0° |
| C29 | C31 | C32 | H53 | 120.7° | 120.0° |
| C29 | C31 | H52 | H53 | 117.9° | 120.0° |
| C29 | C31 | C32 | C33 | 176.5° | 175.4° |
| C29 | C31 | C32 | H54 | 63.3° | 55.4° |
| C29 | C31 | C32 | H55 | 56.2° | 64.6° |
| C31 | C29 | N11 | C27 | 87.3° | 69.5° |
| C31 | C29 | C30 | N15 | 124.8° | 135.9° |
| H51 | C29 | C30 | O8 | 176.2° | 162.8° |
| H51 | C29 | C31 | C32 | 51.1° | 55.5° |
| H51 | C29 | C31 | H52 | 69.5° | 64.5° |
| H51 | C29 | C31 | H53 | 171.8° | 175.5° |
| H51 | C29 | N11 | C27 | 31.2° | 49.9° |
| H51 | C29 | C30 | N15 | 6.6° | 17.2° |
| O8 | C30 | N15 | C35 | 5.9° | 25.8° |
| O8 | C30 | N15 | H63 | 174.1° | 154.6° |
| C32 | C31 | H52 | H53 | 117.9° | 120.0° |
| C31 | C32 | C33 | H54 | 120.3° | 120.0° |
| C31 | C32 | C33 | H55 | 120.3° | 120.0° |
| C31 | C32 | H54 | H55 | 119.2° | 120.0° |
| C31 | C32 | C33 | N12 | 170.4° | 180.0° |
| C31 | C32 | C33 | H56 | 50.1° | 60.0° |
| C31 | C32 | C33 | H57 | 69.3° | 60.0° |
| H52 | C31 | C32 | C33 | 55.8° | 64.5° |
| H52 | C31 | C32 | H54 | 176.1° | 175.5° |
| H52 | C31 | C32 | H55 | 64.4° | 55.5° |
| H53 | C31 | C32 | C33 | 62.9° | 55.4° |
| H53 | C31 | C32 | H54 | 57.4° | 64.6° |
| H53 | C31 | C32 | H55 | 176.9° | 175.4° |
| C33 | C32 | H54 | H55 | 119.2° | 120.0° |
| C32 | C33 | N12 | H56 | 120.3° | 120.0° |
| C32 | C33 | N12 | H57 | 120.3° | 120.0° |
| C32 | C33 | H56 | H57 | 119.2° | 120.0° |
| C32 | C33 | N12 | C34 | 172.5° | 180.0° |
| C32 | C33 | N12 | H58 | 7.4° | 0.0° |
| H54 | C32 | C33 | N12 | 69.3° | 60.0° |
| H54 | C32 | C33 | H56 | 170.4° | 180.0° |
| H54 | C32 | C33 | H57 | 50.9° | 60.0° |
| H55 | C32 | C33 | N12 | 50.2° | 60.1° |
| H55 | C32 | C33 | H56 | 70.1° | 60.0° |
| H55 | C32 | C33 | H57 | 170.4° | 180.0° |
| N12 | C33 | H56 | H57 | 119.2° | 119.9° |
| C33 | N12 | C34 | H58 | 180.0° | 180.0° |
| C33 | N12 | C34 | N13 | 8.2° | 0.0° |
| C33 | N12 | C34 | N14 | 172.5° | 180.0° |
| H56 | C33 | N12 | C34 | 52.3° | 60.0° |
| H56 | C33 | N12 | H58 | 127.7° | 120.0° |
| H57 | C33 | N12 | C34 | 67.2° | 60.0° |
| H57 | C33 | N12 | H58 | 112.8° | 120.0° |
| N12 | C34 | N13 | N14 | 179.3° | 180.0° |
| N12 | C34 | N13 | H59 | 179.3° | 0.0° |
| N12 | C34 | N13 | H60 | 0.7° | 180.0° |
| N12 | C34 | N14 | H61 | 179.2° | 0.0° |
| N12 | C34 | N14 | H62 | 0.7° | 180.0° |
| H58 | N12 | C34 | N13 | 171.8° | 180.0° |
| H58 | N12 | C34 | N14 | 7.5° | 0.0° |
| C34 | N13 | H59 | H60 | 180.0° | 179.9° |
| N13 | C34 | N14 | H61 | 0.0° | 180.0° |
| N13 | C34 | N14 | H62 | 180.0° | 0.0° |
| N14 | C34 | N13 | H59 | 0.0° | 180.0° |
| N14 | C34 | N13 | H60 | 180.0° | 0.0° |
| C34 | N14 | H61 | H62 | 180.0° | 180.0° |
| C35 | N15 | H63 | C30 | 180.0° | 179.6° |
| N15 | C35 | C36 | C37 | 125.3° | 125.6° |
| N15 | C35 | C36 | H64 | 118.0° | 116.7° |
| N15 | C35 | C37 | H64 | 117.3° | 116.9° |
| N15 | C35 | C36 | O9 | 122.6° | 122.4° |
| N15 | C35 | C37 | C38 | 167.0° | 177.7° |
| N15 | C35 | C37 | H65 | 46.2° | 57.7° |
| N15 | C35 | C37 | H66 | 72.2° | 62.3° |
| N15 | C35 | C36 | N19 | 54.4° | 57.5° |
| H63 | N15 | C35 | C36 | 130.6° | 24.8° |
| H63 | N15 | C35 | C37 | 103.6° | 101.3° |
| H63 | N15 | C35 | H64 | 13.1° | 141.7° |
| C36 | C35 | C37 | H64 | 116.8° | 117.9° |
| C35 | C36 | O9 | N19 | 176.8° | 180.0° |
| C36 | C35 | C37 | C38 | 67.0° | 57.1° |
| C36 | C35 | C37 | H65 | 172.2° | 177.2° |
| C36 | C35 | C37 | H66 | 53.8° | 62.8° |
| C35 | C36 | N19 | C41 | 176.6° | 35.3° |
| C35 | C36 | N19 | H76 | 3.4° | 144.7° |
| C36 | C35 | N15 | C30 | 49.4° | 154.8° |
| C37 | C35 | C36 | O9 | 2.6° | 112.0° |
| C35 | C37 | C38 | H65 | 120.8° | 120.0° |
| C35 | C37 | C38 | H66 | 120.8° | 120.0° |
| C35 | C37 | H65 | H66 | 117.6° | 120.0° |
| C35 | C37 | C38 | C39 | 64.1° | 174.9° |
| C35 | C37 | C38 | H67 | 175.6° | 65.1° |
| C35 | C37 | C38 | H68 | 56.2° | 54.9° |
| C37 | C35 | N15 | C30 | 76.4° | 79.1° |
| C37 | C35 | C36 | N19 | 179.6° | 68.0° |
| H64 | C35 | C36 | O9 | 119.4° | 5.7° |
| H64 | C35 | C37 | C38 | 49.8° | 60.8° |
| H64 | C35 | C37 | H65 | 71.0° | 59.2° |
| H64 | C35 | C37 | H66 | 170.6° | 179.2° |
| H64 | C35 | N15 | C30 | 166.9° | 37.9° |
| H64 | C35 | C36 | N19 | 63.6° | 174.2° |
| O9 | C36 | N19 | C41 | 6.4° | 144.8° |
| O9 | C36 | N19 | H76 | 173.6° | 35.2° |
| C38 | C37 | H65 | H66 | 117.6° | 120.0° |
| C37 | C38 | C39 | H67 | 120.3° | 120.0° |
| C37 | C38 | C39 | H68 | 120.3° | 120.0° |
| C37 | C38 | H67 | H68 | 119.0° | 120.0° |
| C37 | C38 | C39 | N16 | 62.4° | 180.0° |
| C37 | C38 | C39 | H69 | 177.2° | 60.0° |
| C37 | C38 | C39 | H70 | 58.0° | 60.0° |
| H65 | C37 | C38 | C39 | 56.7° | 54.9° |
| H65 | C37 | C38 | H67 | 63.6° | 174.9° |
| H65 | C37 | C38 | H68 | 177.0° | 65.1° |
| H66 | C37 | C38 | C39 | 175.1° | 65.2° |
| H66 | C37 | C38 | H67 | 54.8° | 54.8° |
| H66 | C37 | C38 | H68 | 64.6° | 174.9° |
| C39 | C38 | H67 | H68 | 119.0° | 120.0° |
| C38 | C39 | N16 | H69 | 120.4° | 120.0° |
| C38 | C39 | N16 | H70 | 120.4° | 120.0° |
| C38 | C39 | H69 | H70 | 118.9° | 120.0° |
| C38 | C39 | N16 | C40 | 168.4° | 180.0° |
| C38 | C39 | N16 | H71 | 11.6° | 0.0° |
| H67 | C38 | C39 | N16 | 57.9° | 60.0° |
| H67 | C38 | C39 | H69 | 62.4° | 180.0° |
| H67 | C38 | C39 | H70 | 178.3° | 60.0° |
| H68 | C38 | C39 | N16 | 177.3° | 60.0° |
| H68 | C38 | C39 | H69 | 56.9° | 60.0° |
| H68 | C38 | C39 | H70 | 62.3° | 180.0° |
| N16 | C39 | H69 | H70 | 118.8° | 120.0° |
| C39 | N16 | C40 | H71 | 180.0° | 179.9° |
| C39 | N16 | C40 | N17 | 4.5° | 0.0° |
| C39 | N16 | C40 | N18 | 176.6° | 179.9° |
| H69 | C39 | N16 | C40 | 71.2° | 60.0° |
| H69 | C39 | N16 | H71 | 108.8° | 120.0° |
| H70 | C39 | N16 | C40 | 48.0° | 60.0° |
| H70 | C39 | N16 | H71 | 132.0° | 120.1° |
| N16 | C40 | N17 | N18 | 178.9° | 180.0° |
| N16 | C40 | N17 | H72 | 178.9° | 0.0° |
| N16 | C40 | N17 | H73 | 1.1° | 180.0° |
| N16 | C40 | N18 | H74 | 178.9° | 180.0° |
| N16 | C40 | N18 | H75 | 1.1° | 0.1° |
| H71 | N16 | C40 | N17 | 175.5° | 180.0° |
| H71 | N16 | C40 | N18 | 3.4° | 0.0° |
| C40 | N17 | H72 | H73 | 180.0° | 180.0° |
| N17 | C40 | N18 | H74 | 0.0° | 0.1° |
| N17 | C40 | N18 | H75 | 180.0° | 180.0° |
| N18 | C40 | N17 | H72 | 0.0° | 180.0° |
| N18 | C40 | N17 | H73 | 180.0° | 0.1° |
| C40 | N18 | H74 | H75 | 180.0° | 179.9° |
| C41 | N19 | H76 | C36 | 180.0° | 180.0° |
| N19 | C41 | C42 | H77 | 120.6° | 119.5° |
| N19 | C41 | C42 | H78 | 120.6° | 124.5° |
| N19 | C41 | H77 | H78 | 118.2° | 122.9° |
| N19 | C41 | C42 | O10 | 166.8° | 33.9° |
| N19 | C41 | C42 | N20 | 12.3° | 146.4° |
| H76 | N19 | C41 | C42 | 91.2° | 49.1° |
| H76 | N19 | C41 | H77 | 29.4° | 69.5° |
| H76 | N19 | C41 | H78 | 148.2° | 170.9° |
| C42 | C41 | H77 | H78 | 118.2° | 116.6° |
| C41 | C42 | O10 | N20 | 179.1° | 179.7° |
| C41 | C42 | N20 | C43 | 178.4° | 175.7° |
| C41 | C42 | N20 | H79 | 1.6° | 4.2° |
| C42 | C41 | N19 | C36 | 88.8° | 130.9° |
| H77 | C41 | C42 | O10 | 46.2° | 85.6° |
| H77 | C41 | N19 | C36 | 150.6° | 110.5° |
| H77 | C41 | C42 | N20 | 132.9° | 94.1° |
| H78 | C41 | C42 | O10 | 72.6° | 158.4° |
| H78 | C41 | N19 | C36 | 31.8° | 9.1° |
| H78 | C41 | C42 | N20 | 108.2° | 21.9° |
| O10 | C42 | N20 | C43 | 2.5° | 4.0° |
| O10 | C42 | N20 | H79 | 177.5° | 176.1° |
| C43 | N20 | H79 | C42 | 180.0° | 179.9° |
| N20 | C43 | C44 | C45 | 121.5° | 118.9° |
| N20 | C43 | C44 | H80 | 120.2° | 120.1° |
| N20 | C43 | C45 | H80 | 121.1° | 120.5° |
| N20 | C43 | C44 | O11 | 57.4° | 2.0° |
| N20 | C43 | C45 | C46 | 179.7° | 60.0° |
| N20 | C43 | C45 | C47 | 56.7° | 60.0° |
| N20 | C43 | C45 | H81 | 61.3° | 180.0° |
| N20 | C43 | C44 | N21 | 121.7° | 178.0° |
| H79 | N20 | C43 | C44 | 74.7° | 27.2° |
| H79 | N20 | C43 | C45 | 45.5° | 91.8° |
| H79 | N20 | C43 | H80 | 165.7° | 147.4° |
| C44 | C43 | C45 | H80 | 118.7° | 120.8° |
| C43 | C44 | O11 | N21 | 179.0° | 180.0° |
| C44 | C43 | C45 | C46 | 59.5° | 178.8° |
| C44 | C43 | C45 | C47 | 176.8° | 58.8° |
| C44 | C43 | C45 | H81 | 58.9° | 61.3° |
| C43 | C44 | N21 | C48 | 176.1° | 178.7° |
| C43 | C44 | N21 | H88 | 3.9° | 1.9° |
| C44 | C43 | N20 | C42 | 105.3° | 152.9° |
| C45 | C43 | C44 | O11 | 64.1° | 120.9° |
| C43 | C45 | C46 | C47 | 123.9° | 120.0° |
| C43 | C45 | C46 | H81 | 118.1° | 119.9° |
| C43 | C45 | C47 | H81 | 117.7° | 120.0° |
| C43 | C45 | C46 | H82 | 180.0° | 60.1° |
| C43 | C45 | C46 | H83 | 60.0° | 180.0° |
| C43 | C45 | C46 | H84 | 60.0° | 60.0° |
| C43 | C45 | C47 | H85 | 180.0° | 60.0° |
| C43 | C45 | C47 | H86 | 60.0° | 179.9° |
| C43 | C45 | C47 | H87 | 60.0° | 59.9° |
| C45 | C43 | N20 | C42 | 134.6° | 88.1° |
| C45 | C43 | C44 | N21 | 116.8° | 59.1° |
| H80 | C43 | C44 | O11 | 177.6° | 118.1° |
| H80 | C43 | C45 | C46 | 59.2° | 60.4° |
| H80 | C43 | C45 | C47 | 64.5° | 179.6° |
| H80 | C43 | C45 | H81 | 177.6° | 59.5° |
| H80 | C43 | N20 | C42 | 14.3° | 32.7° |
| H80 | C43 | C44 | N21 | 1.5° | 61.9° |
| O11 | C44 | N21 | C48 | 4.9° | 1.3° |
| O11 | C44 | N21 | H88 | 175.2° | 178.2° |
| C46 | C45 | C47 | H81 | 118.0° | 120.0° |
| C45 | C46 | H82 | H83 | 120.0° | 120.0° |
| C45 | C46 | H82 | H84 | 120.0° | 120.1° |
| C45 | C46 | H83 | H84 | 120.0° | 120.0° |
| C46 | C45 | C47 | H85 | 55.7° | 180.0° |
| C46 | C45 | C47 | H86 | 64.3° | 60.1° |
| C46 | C45 | C47 | H87 | 175.7° | 60.0° |
| C47 | C45 | C46 | H82 | 56.1° | 60.0° |
| C47 | C45 | C46 | H83 | 176.1° | 60.0° |
| C47 | C45 | C46 | H84 | 64.0° | 180.0° |
| C45 | C47 | H85 | H86 | 120.0° | 120.0° |
| C45 | C47 | H85 | H87 | 120.0° | 120.0° |
| C45 | C47 | H86 | H87 | 120.0° | 120.1° |
| H81 | C45 | C46 | H82 | 61.9° | 180.0° |
| H81 | C45 | C46 | H83 | 58.1° | 60.0° |
| H81 | C45 | C46 | H84 | 178.1° | 59.9° |
| H81 | C45 | C47 | H85 | 62.3° | 60.0° |
| H81 | C45 | C47 | H86 | 177.7° | 59.9° |
| H81 | C45 | C47 | H87 | 57.7° | 180.0° |
| H82 | C46 | H83 | H84 | 120.0° | 120.0° |
| H85 | C47 | H86 | H87 | 120.0° | 120.0° |
| C48 | N21 | H88 | C44 | 180.0° | 179.5° |
| N21 | C48 | C49 | C50 | 125.4° | 119.8° |
| N21 | C48 | C49 | H89 | 117.2° | 119.7° |
| N21 | C48 | C50 | H89 | 119.0° | 119.5° |
| N21 | C48 | C49 | O12 | 58.3° | 107.3° |
| N21 | C48 | C50 | S3 | 69.1° | 110.7° |
| N21 | C48 | C50 | H90 | 51.7° | 8.8° |
| N21 | C48 | C50 | H91 | 170.2° | 129.2° |
| N21 | C48 | C49 | N22 | 120.3° | 72.3° |
| H88 | N21 | C48 | C49 | 71.2° | 10.1° |
| H88 | N21 | C48 | C50 | 53.9° | 110.0° |
| H88 | N21 | C48 | H89 | 172.1° | 130.2° |
| C49 | C48 | C50 | H89 | 117.6° | 120.4° |
| C48 | C49 | O12 | N22 | 178.5° | 179.6° |
| C49 | C48 | C50 | S3 | 167.5° | 129.2° |
| C49 | C48 | C50 | H90 | 71.7° | 111.3° |
| C49 | C48 | C50 | H91 | 46.9° | 9.1° |
| C48 | C49 | N22 | C51 | 173.9° | 173.6° |
| C48 | C49 | N22 | H92 | 6.1° | 6.4° |
| C49 | C48 | N21 | C44 | 108.8° | 170.4° |
| C50 | C48 | C49 | O12 | 67.1° | 132.9° |
| C48 | C50 | S3 | H90 | 120.7° | 119.3° |
| C48 | C50 | S3 | H91 | 120.7° | 120.3° |
| C48 | C50 | H90 | H91 | 117.9° | 120.3° |
| C48 | C50 | S3 | S2 | 84.3° | 176.7° |
| C50 | C48 | N21 | C44 | 126.1° | 69.5° |
| C50 | C48 | C49 | N22 | 114.3° | 47.5° |
| H89 | C48 | C49 | O12 | 175.5° | 12.4° |
| H89 | C48 | C50 | S3 | 49.9° | 8.8° |
| H89 | C48 | C50 | H90 | 170.6° | 128.3° |
| H89 | C48 | C50 | H91 | 70.8° | 111.3° |
| H89 | C48 | N21 | C44 | 7.9° | 50.4° |
| H89 | C48 | C49 | N22 | 3.1° | 168.0° |
| O12 | C49 | N22 | C51 | 4.7° | 6.8° |
| O12 | C49 | N22 | H92 | 175.3° | 173.2° |
| S3 | C50 | H90 | H91 | 117.8° | 120.1° |
| H90 | C50 | S3 | S2 | 155.0° | 64.0° |
| H91 | C50 | S3 | S2 | 36.4° | 56.4° |
| C51 | N22 | H92 | C49 | 180.0° | 180.0° |
| N22 | C51 | C52 | C53 | 119.6° | 119.5° |
| N22 | C51 | C52 | H93 | 121.5° | 120.4° |
| N22 | C51 | C53 | H93 | 119.4° | 119.7° |
| N22 | C51 | C52 | O13 | 57.7° | 25.5° |
| N22 | C51 | C53 | C54 | 174.4° | 65.0° |
| N22 | C51 | C53 | H94 | 64.8° | 55.0° |
| N22 | C51 | C53 | H95 | 53.6° | 175.0° |
| N22 | C51 | C52 | N26 | 120.4° | 155.8° |
| H92 | N22 | C51 | C52 | 54.9° | 24.7° |
| H92 | N22 | C51 | C53 | 65.7° | 95.5° |
| H92 | N22 | C51 | H93 | 175.8° | 145.1° |
| C52 | C51 | C53 | H93 | 119.0° | 120.2° |
| C51 | C52 | O13 | N26 | 178.0° | 178.7° |
| C52 | C51 | C53 | C54 | 52.8° | 174.9° |
| C52 | C51 | C53 | H94 | 173.6° | 65.2° |
| C52 | C51 | C53 | H95 | 68.0° | 54.9° |
| C51 | C52 | N26 | C57 | 170.8° | 165.9° |
| C51 | C52 | N26 | H105 | 9.2° | 16.1° |
| C52 | C51 | N22 | C49 | 125.0° | 155.3° |
| C53 | C51 | C52 | O13 | 61.9° | 145.0° |
| C51 | C53 | C54 | H94 | 120.8° | 119.9° |
| C51 | C53 | C54 | H95 | 120.9° | 120.0° |
| C51 | C53 | H94 | H95 | 117.4° | 120.0° |
| C51 | C53 | C54 | C55 | 179.4° | 180.0° |
| C51 | C53 | C54 | H96 | 60.4° | 60.1° |
| C51 | C53 | C54 | H97 | 59.2° | 60.0° |
| C53 | C51 | N22 | C49 | 114.4° | 84.5° |
| C53 | C51 | C52 | N26 | 120.0° | 36.3° |
| H93 | C51 | C52 | O13 | 179.3° | 94.9° |
| H93 | C51 | C53 | C54 | 66.2° | 54.7° |
| H93 | C51 | C53 | H94 | 54.7° | 174.7° |
| H93 | C51 | C53 | H95 | 173.0° | 65.3° |
| H93 | C51 | N22 | C49 | 4.2° | 35.0° |
| H93 | C51 | C52 | N26 | 1.1° | 83.8° |
| O13 | C52 | N26 | C57 | 11.1° | 15.4° |
| O13 | C52 | N26 | H105 | 168.9° | 162.6° |
| C54 | C53 | H94 | H95 | 117.4° | 120.1° |
| C53 | C54 | C55 | H96 | 120.2° | 119.9° |
| C53 | C54 | C55 | H97 | 120.2° | 120.0° |
| C53 | C54 | H96 | H97 | 119.4° | 120.0° |
| C53 | C54 | C55 | N23 | 59.8° | 179.9° |
| C53 | C54 | C55 | H98 | 60.6° | 60.0° |
| C53 | C54 | C55 | H99 | 179.9° | 60.0° |
| H94 | C53 | C54 | C55 | 58.6° | 60.0° |
| H94 | C53 | C54 | H96 | 178.8° | 180.0° |
| H94 | C53 | C54 | H97 | 61.6° | 59.9° |
| H95 | C53 | C54 | C55 | 59.7° | 60.0° |
| H95 | C53 | C54 | H96 | 60.5° | 59.9° |
| H95 | C53 | C54 | H97 | 179.9° | NaN° |
| C55 | C54 | H96 | H97 | 119.4° | 120.0° |
| C54 | C55 | N23 | H98 | 120.4° | 120.0° |
| C54 | C55 | N23 | H99 | 120.4° | 120.0° |
| C54 | C55 | H98 | H99 | 118.9° | 120.0° |
| C54 | C55 | N23 | C56 | 157.6° | 180.0° |
| C54 | C55 | N23 | H100 | 22.4° | 0.1° |
| H96 | C54 | C55 | N23 | 179.9° | 60.0° |
| H96 | C54 | C55 | H98 | 59.6° | 179.9° |
| H96 | C54 | C55 | H99 | 59.7° | 59.9° |
| H97 | C54 | C55 | N23 | 60.4° | 60.1° |
| H97 | C54 | C55 | H98 | 179.2° | 60.0° |
| H97 | C54 | C55 | H99 | 59.9° | 180.0° |
| N23 | C55 | H98 | H99 | 118.9° | 120.0° |
| C55 | N23 | C56 | H100 | 180.0° | 179.9° |
| C55 | N23 | C56 | N24 | 0.4° | 0.1° |
| C55 | N23 | C56 | N25 | 179.7° | 180.0° |
| H98 | C55 | N23 | C56 | 37.2° | 59.9° |
| H98 | C55 | N23 | H100 | 142.8° | 120.0° |
| H99 | C55 | N23 | C56 | 82.1° | 60.1° |
| H99 | C55 | N23 | H100 | 97.9° | 120.0° |
| N23 | C56 | N24 | N25 | 179.3° | 180.0° |
| N23 | C56 | N24 | H101 | 179.3° | 0.0° |
| N23 | C56 | N24 | H102 | 0.7° | 180.0° |
| N23 | C56 | N25 | H103 | 179.3° | 0.0° |
| N23 | C56 | N25 | H104 | 0.7° | 180.0° |
| H100 | N23 | C56 | N24 | 179.5° | 180.0° |
| H100 | N23 | C56 | N25 | 0.3° | 0.1° |
| C56 | N24 | H101 | H102 | 180.0° | 180.0° |
| N24 | C56 | N25 | H103 | 0.0° | 180.0° |
| N24 | C56 | N25 | H104 | 180.0° | 0.0° |
| N25 | C56 | N24 | H101 | 0.0° | 180.0° |
| N25 | C56 | N24 | H102 | 180.0° | 0.0° |
| C56 | N25 | H103 | H104 | 180.0° | 180.0° |
| C57 | N26 | H105 | C52 | 180.0° | 178.2° |
| N26 | C57 | C58 | C59 | 126.2° | 124.3° |
| N26 | C57 | C58 | H106 | 116.5° | 117.6° |
| N26 | C57 | C59 | H106 | 119.0° | 118.7° |
| N26 | C57 | C58 | O14 | 55.4° | 6.7° |
| N26 | C57 | C59 | S4 | 66.3° | 80.5° |
| N26 | C57 | C59 | H107 | 54.3° | 40.2° |
| N26 | C57 | C59 | H108 | 173.1° | 160.4° |
| N26 | C57 | C58 | N27 | 120.5° | 173.3° |
| H105 | N26 | C57 | C58 | 93.6° | 95.2° |
| H105 | N26 | C57 | C59 | 32.2° | 141.0° |
| H105 | N26 | C57 | H106 | 150.5° | 22.3° |
| C58 | C57 | C59 | H106 | 117.6° | 117.9° |
| C57 | C58 | O14 | N27 | 175.6° | 180.0° |
| C58 | C57 | C59 | S4 | 170.3° | 156.2° |
| C58 | C57 | C59 | H107 | 69.2° | 83.1° |
| C58 | C57 | C59 | H108 | 49.7° | 37.0° |
| C57 | C58 | N27 | C60 | 174.4° | 173.7° |
| C57 | C58 | N27 | H109 | 5.6° | 6.0° |
| C58 | C57 | N26 | C52 | 86.4° | 82.9° |
| C59 | C57 | C58 | O14 | 70.8° | 117.6° |
| C57 | C59 | S4 | H107 | 120.6° | 121.4° |
| C57 | C59 | S4 | H108 | 120.6° | 119.5° |
| C57 | C59 | H107 | H108 | 118.2° | 120.4° |
| C57 | C59 | S4 | S1 | 74.4° | 155.7° |
| C59 | C57 | N26 | C52 | 147.9° | 40.9° |
| C59 | C57 | C58 | N27 | 113.3° | 62.4° |
| H106 | C57 | C58 | O14 | 171.8° | 124.3° |
| H106 | C57 | C59 | S4 | 52.7° | 38.2° |
| H106 | C57 | C59 | H107 | 173.3° | 158.9° |
| H106 | C57 | C59 | H108 | 67.9° | 80.9° |
| H106 | C57 | N26 | C52 | 29.5° | 159.6° |
| H106 | C57 | C58 | N27 | 4.1° | 55.6° |
| O14 | C58 | N27 | C60 | 1.4° | 6.3° |
| O14 | C58 | N27 | H109 | 178.6° | 174.1° |
| S4 | C59 | H107 | H108 | 118.2° | 118.9° |
| H107 | C59 | S4 | S1 | 165.0° | 82.9° |
| H108 | C59 | S4 | S1 | 46.1° | 36.1° |
| C60 | N27 | H109 | C58 | 180.0° | 179.7° |
| N27 | C60 | C61 | C62 | 124.1° | 120.0° |
| N27 | C60 | C61 | H110 | 119.0° | 120.4° |
| N27 | C60 | C62 | H110 | 117.8° | 119.2° |
| N27 | C60 | C61 | O15 | 36.6° | 0.7° |
| N27 | C60 | C62 | C63 | 61.6° | 60.0° |
| N27 | C60 | C62 | C64 | 172.7° | 60.0° |
| N27 | C60 | C62 | H111 | 55.8° | 180.0° |
| N27 | C60 | C61 | N28 | 141.2° | 179.0° |
| H109 | N27 | C60 | C61 | 47.8° | 101.9° |
| H109 | N27 | C60 | C62 | 77.0° | 18.4° |
| H109 | N27 | C60 | H110 | 166.1° | 137.5° |
| C61 | C60 | C62 | H110 | 117.1° | 119.8° |
| C60 | C61 | O15 | N28 | 177.6° | 179.8° |
| C61 | C60 | C62 | C63 | 63.6° | 178.9° |
| C61 | C60 | C62 | C64 | 62.2° | 61.0° |
| C61 | C60 | C62 | H111 | 179.1° | 58.9° |
| C60 | C61 | N28 | C65 | 178.0° | 177.7° |
| C60 | C61 | N28 | H118 | 2.0° | 1.9° |
| C61 | C60 | N27 | C58 | 132.2° | 78.5° |
| C62 | C60 | C61 | O15 | 87.5° | 119.3° |
| C60 | C62 | C63 | C64 | 125.8° | 120.0° |
| C60 | C62 | C63 | H111 | 117.1° | 120.0° |
| C60 | C62 | C64 | H111 | 116.6° | 120.0° |
| C60 | C62 | C63 | H112 | 180.0° | 60.0° |
| C60 | C62 | C63 | H113 | 60.0° | 180.0° |
| C60 | C62 | C63 | H114 | 60.0° | 60.0° |
| C60 | C62 | C64 | H115 | 180.0° | 59.9° |
| C60 | C62 | C64 | H116 | 60.0° | 180.0° |
| C60 | C62 | C64 | H117 | 60.0° | 60.0° |
| C62 | C60 | N27 | C58 | 103.0° | 161.3° |
| C62 | C60 | C61 | N28 | 94.7° | 61.0° |
| H110 | C60 | C61 | O15 | 155.5° | 121.2° |
| H110 | C60 | C62 | C63 | 179.3° | 59.2° |
| H110 | C60 | C62 | C64 | 54.9° | 179.2° |
| H110 | C60 | C62 | H111 | 62.0° | 60.8° |
| H110 | C60 | N27 | C58 | 13.9° | 42.1° |
| H110 | C60 | C61 | N28 | 22.2° | 58.6° |
| O15 | C61 | N28 | C65 | 4.3° | 2.1° |
| O15 | C61 | N28 | H118 | 175.7° | 178.4° |
| C63 | C62 | C64 | H111 | 117.0° | 120.0° |
| C62 | C63 | H112 | H113 | 120.0° | 120.1° |
| C62 | C63 | H112 | H114 | 120.0° | 120.0° |
| C62 | C63 | H113 | H114 | 120.0° | 120.1° |
| C63 | C62 | C64 | H115 | 53.6° | 180.0° |
| C63 | C62 | C64 | H116 | 66.4° | 59.9° |
| C63 | C62 | C64 | H117 | 173.6° | 60.0° |
| C64 | C62 | C63 | H112 | 54.2° | 60.1° |
| C64 | C62 | C63 | H113 | 174.2° | 59.9° |
| C64 | C62 | C63 | H114 | 65.8° | 180.0° |
| C62 | C64 | H115 | H116 | 120.0° | 120.1° |
| C62 | C64 | H115 | H117 | 120.0° | 119.9° |
| C62 | C64 | H116 | H117 | 120.0° | 120.0° |
| H111 | C62 | C63 | H112 | 62.9° | NaN° |
| H111 | C62 | C63 | H113 | 57.1° | 60.0° |
| H111 | C62 | C63 | H114 | 177.1° | 60.1° |
| H111 | C62 | C64 | H115 | 63.4° | 60.1° |
| H111 | C62 | C64 | H116 | 176.5° | 60.0° |
| H111 | C62 | C64 | H117 | 56.6° | 180.0° |
| H112 | C63 | H113 | H114 | 120.0° | 119.9° |
| H115 | C64 | H116 | H117 | 120.0° | 120.0° |
| C65 | N28 | H118 | C61 | 180.0° | 179.5° |
| N28 | C65 | C66 | C67 | 122.2° | 119.8° |
| N28 | C65 | C66 | H119 | 119.4° | 120.7° |
| N28 | C65 | C67 | H119 | 120.0° | 119.8° |
| N28 | C65 | C66 | O16 | 56.0° | 52.1° |
| N28 | C65 | C67 | C68 | 177.9° | 65.0° |
| N28 | C65 | C67 | H120 | 57.2° | 55.0° |
| N28 | C65 | C67 | H121 | 61.4° | 175.0° |
| N28 | C65 | C66 | N29 | 121.1° | 128.1° |
| H118 | N28 | C65 | C66 | 100.1° | 49.7° |
| H118 | N28 | C65 | C67 | 21.9° | 70.0° |
| H118 | N28 | C65 | H119 | 141.2° | 170.4° |
| C66 | C65 | C67 | H119 | 118.6° | 119.8° |
| C65 | C66 | O16 | N29 | 176.9° | 179.7° |
| C66 | C65 | C67 | C68 | 60.7° | 174.5° |
| C66 | C65 | C67 | H120 | 178.6° | 65.5° |
| C66 | C65 | C67 | H121 | 60.0° | 54.6° |
| C65 | C66 | N29 | C69 | 178.1° | 173.2° |
| C65 | C66 | N29 | H125 | 1.8° | 6.4° |
| C66 | C65 | N28 | C61 | 79.9° | 130.7° |
| C67 | C65 | C66 | O16 | 66.2° | 67.6° |
| C65 | C67 | C68 | H120 | 120.7° | 120.0° |
| C65 | C67 | C68 | H121 | 120.7° | 120.0° |
| C65 | C67 | H120 | H121 | 117.8° | 120.0° |
| C65 | C67 | C68 | H122 | 180.0° | 175.5° |
| C65 | C67 | C68 | H123 | 60.0° | 64.5° |
| C65 | C67 | C68 | H124 | 60.0° | 55.5° |
| C67 | C65 | N28 | C61 | 158.1° | 109.5° |
| C67 | C65 | C66 | N29 | 116.7° | 112.1° |
| H119 | C65 | C66 | O16 | 175.4° | 172.8° |
| H119 | C65 | C67 | C68 | 57.9° | 54.8° |
| H119 | C65 | C67 | H120 | 62.8° | 174.8° |
| H119 | C65 | C67 | H121 | 178.6° | 65.2° |
| H119 | C65 | N28 | C61 | 38.8° | 10.1° |
| H119 | C65 | C66 | N29 | 1.8° | 7.4° |
| O16 | C66 | N29 | C69 | 4.8° | 6.5° |
| O16 | C66 | N29 | H125 | 175.2° | 173.9° |
| C68 | C67 | H120 | H121 | 117.8° | 120.0° |
| C67 | C68 | H122 | H123 | 120.0° | 120.0° |
| C67 | C68 | H122 | H124 | 120.0° | 120.0° |
| C67 | C68 | H123 | H124 | 120.0° | 120.0° |
| H120 | C67 | C68 | H122 | 59.3° | 55.5° |
| H120 | C67 | C68 | H123 | 179.3° | 175.5° |
| H120 | C67 | C68 | H124 | 60.7° | 64.5° |
| H121 | C67 | C68 | H122 | 59.3° | 64.5° |
| H121 | C67 | C68 | H123 | 60.7° | 55.5° |
| H121 | C67 | C68 | H124 | 179.3° | 175.5° |
| H122 | C68 | H123 | H124 | 120.0° | 120.0° |
| C69 | N29 | H125 | C66 | 180.0° | 179.6° |
| N29 | C69 | C70 | C71 | 120.2° | 125.3° |
| N29 | C69 | C70 | H126 | 119.8° | 116.9° |
| N29 | C69 | C71 | H126 | 121.0° | 116.5° |
| N29 | C69 | C70 | O17 | 87.9° | 91.5° |
| N29 | C69 | C71 | C72 | 53.1° | 65.0° |
| N29 | C69 | C71 | H127 | 67.8° | 55.0° |
| N29 | C69 | C71 | H128 | 174.0° | 175.0° |
| N29 | C69 | C70 | N33 | 85.7° | 88.4° |
| H125 | N29 | C69 | C70 | 70.2° | 30.1° |
| H125 | N29 | C69 | C71 | 50.8° | 95.9° |
| H125 | N29 | C69 | H126 | 170.9° | 147.4° |
| C70 | C69 | C71 | H126 | 120.0° | 117.9° |
| C69 | C70 | O17 | N33 | 172.9° | 180.0° |
| C70 | C69 | C71 | C72 | 172.1° | 169.5° |
| C70 | C69 | C71 | H127 | 51.2° | 70.5° |
| C70 | C69 | C71 | H128 | 67.0° | 49.5° |
| C69 | C70 | N33 | C75 | 178.1° | 21.4° |
| C69 | C70 | N33 | H138 | 1.9° | 158.8° |
| C70 | C69 | N29 | C66 | 109.8° | 149.5° |
| C71 | C69 | C70 | O17 | 32.4° | 143.1° |
| C69 | C71 | C72 | H127 | 120.9° | 120.0° |
| C69 | C71 | C72 | H128 | 120.9° | 120.0° |
| C69 | C71 | H127 | H128 | 117.2° | 120.0° |
| C69 | C71 | C72 | C73 | 71.3° | 180.0° |
| C69 | C71 | C72 | H129 | 49.4° | 60.0° |
| C69 | C71 | C72 | H130 | 167.9° | 60.0° |
| C71 | C69 | N29 | C66 | 129.3° | 84.5° |
| C71 | C69 | C70 | N33 | 154.1° | 36.9° |
| H126 | C69 | C70 | O17 | 152.3° | 25.4° |
| H126 | C69 | C71 | C72 | 67.9° | 51.5° |
| H126 | C69 | C71 | H127 | 171.2° | 171.6° |
| H126 | C69 | C71 | H128 | 53.0° | 68.5° |
| H126 | C69 | N29 | C66 | 9.2° | 32.2° |
| H126 | C69 | C70 | N33 | 34.1° | 154.7° |
| O17 | C70 | N33 | C75 | 8.6° | 158.5° |
| O17 | C70 | N33 | H138 | 171.4° | 21.2° |
| C72 | C71 | H127 | H128 | 117.2° | 120.0° |
| C71 | C72 | C73 | H129 | 120.7° | 120.0° |
| C71 | C72 | C73 | H130 | 120.8° | 120.0° |
| C71 | C72 | H129 | H130 | 117.7° | 119.9° |
| C71 | C72 | C73 | N30 | 62.0° | 180.0° |
| C71 | C72 | C73 | H131 | 177.2° | 60.0° |
| C71 | C72 | C73 | H132 | 58.8° | 60.0° |
| H127 | C71 | C72 | C73 | 167.8° | 60.0° |
| H127 | C71 | C72 | H129 | 71.5° | 180.0° |
| H127 | C71 | C72 | H130 | 47.0° | 60.0° |
| H128 | C71 | C72 | C73 | 49.6° | 60.0° |
| H128 | C71 | C72 | H129 | 170.3° | 60.0° |
| H128 | C71 | C72 | H130 | 71.2° | 180.0° |
| C73 | C72 | H129 | H130 | 117.7° | 120.1° |
| C72 | C73 | N30 | H131 | 120.8° | 120.0° |
| C72 | C73 | N30 | H132 | 120.8° | 120.0° |
| C72 | C73 | H131 | H132 | 117.6° | 119.9° |
| C72 | C73 | N30 | C74 | 173.0° | 180.0° |
| C72 | C73 | N30 | H133 | 7.0° | 0.1° |
| H129 | C72 | C73 | N30 | 58.7° | 60.0° |
| H129 | C72 | C73 | H131 | 62.0° | 179.9° |
| H129 | C72 | C73 | H132 | 179.5° | 60.0° |
| H130 | C72 | C73 | N30 | 177.3° | 60.0° |
| H130 | C72 | C73 | H131 | 56.5° | 60.0° |
| H130 | C72 | C73 | H132 | 62.0° | 179.9° |
| N30 | C73 | H131 | H132 | 117.7° | 120.1° |
| C73 | N30 | C74 | H133 | 180.0° | 179.9° |
| C73 | N30 | C74 | N31 | 7.0° | 0.0° |
| C73 | N30 | C74 | N32 | 174.7° | 180.0° |
| H131 | C73 | N30 | C74 | 52.3° | 60.1° |
| H131 | C73 | N30 | H133 | 127.7° | 120.0° |
| H132 | C73 | N30 | C74 | 66.2° | 60.0° |
| H132 | C73 | N30 | H133 | 113.8° | 119.9° |
| N30 | C74 | N31 | N32 | 178.3° | 179.9° |
| N30 | C74 | N31 | H134 | 178.3° | 0.0° |
| N30 | C74 | N31 | H135 | 1.7° | 179.9° |
| N30 | C74 | N32 | H136 | 178.3° | 180.0° |
| N30 | C74 | N32 | H137 | 1.7° | 0.1° |
| H133 | N30 | C74 | N31 | 173.0° | 179.9° |
| H133 | N30 | C74 | N32 | 5.3° | 0.1° |
| C74 | N31 | H134 | H135 | 180.0° | 179.9° |
| N31 | C74 | N32 | H136 | 0.0° | 0.1° |
| N31 | C74 | N32 | H137 | 180.0° | 179.9° |
| N32 | C74 | N31 | H134 | 0.0° | 179.9° |
| N32 | C74 | N31 | H135 | 180.0° | 0.0° |
| C74 | N32 | H136 | H137 | 180.0° | 179.8° |
| C75 | N33 | H138 | C70 | 180.0° | 179.8° |
| N33 | C75 | C76 | C77 | 123.8° | 119.5° |
| N33 | C75 | C76 | H139 | 119.0° | 121.0° |
| N33 | C75 | C77 | H139 | 119.0° | 122.6° |
| N33 | C75 | C76 | O18 | 134.5° | 28.3° |
| N33 | C75 | C77 | C78 | 152.9° | 57.0° |
| N33 | C75 | C77 | H140 | 32.3° | 177.0° |
| N33 | C75 | C77 | H141 | 86.5° | 63.0° |
| N33 | C75 | C76 | N1 | 43.3° | 152.5° |
| H138 | N33 | C75 | C76 | 125.6° | 7.1° |
| H138 | N33 | C75 | C77 | 111.5° | 112.1° |
| H138 | N33 | C75 | H139 | 7.1° | 126.2° |
| C76 | C75 | C77 | H139 | 117.2° | 118.4° |
| C75 | C76 | O18 | N1 | 177.6° | 179.2° |
| C76 | C75 | C77 | C78 | 83.4° | 62.0° |
| C76 | C75 | C77 | H140 | 156.0° | 58.0° |
| C76 | C75 | C77 | H141 | 37.3° | 178.0° |
| C76 | C75 | N33 | C70 | 54.4° | 173.2° |
| C77 | C75 | C76 | O18 | 10.8° | 147.8° |
| C75 | C77 | C78 | H140 | 120.6° | 120.0° |
| C75 | C77 | C78 | H141 | 120.6° | 119.9° |
| C75 | C77 | H140 | H141 | 118.2° | 120.0° |
| C75 | C77 | C78 | C79 | 168.9° | 175.4° |
| C75 | C77 | C78 | H142 | 48.6° | 64.6° |
| C75 | C77 | C78 | H143 | 70.8° | 55.4° |
| C77 | C75 | C76 | N1 | 167.0° | 32.9° |
| C77 | C75 | N33 | C70 | 68.5° | 67.7° |
| H139 | C75 | C76 | O18 | 106.5° | 92.7° |
| H139 | C75 | C77 | C78 | 33.8° | 179.6° |
| H139 | C75 | C77 | H140 | 86.8° | 60.4° |
| H139 | C75 | C77 | H141 | 154.4° | 59.6° |
| H139 | C75 | C76 | N1 | 75.7° | 86.5° |
| H139 | C75 | N33 | C70 | 172.9° | 54.1° |
| C78 | C77 | H140 | H141 | 118.2° | 120.0° |
| C77 | C78 | C79 | H142 | 120.4° | 120.0° |
| C77 | C78 | C79 | H143 | 120.3° | 120.0° |
| C77 | C78 | H142 | H143 | 118.9° | 120.0° |
| C77 | C78 | C79 | N34 | 78.6° | 175.1° |
| C77 | C78 | C79 | H144 | 161.1° | 55.1° |
| C77 | C78 | C79 | H145 | 41.8° | 64.9° |
| H140 | C77 | C78 | C79 | 70.5° | 55.4° |
| H140 | C77 | C78 | H142 | 169.2° | 175.4° |
| H140 | C77 | C78 | H143 | 49.8° | 64.6° |
| H141 | C77 | C78 | C79 | 48.3° | 64.7° |
| H141 | C77 | C78 | H142 | 72.0° | 55.3° |
| H141 | C77 | C78 | H143 | 168.7° | 175.3° |
| C79 | C78 | H142 | H143 | 119.0° | 120.0° |
| C78 | C79 | N34 | H144 | 120.4° | 120.0° |
| C78 | C79 | N34 | H145 | 120.3° | 120.0° |
| C78 | C79 | H144 | H145 | 118.9° | 120.0° |
| C78 | C79 | N34 | C80 | 164.3° | 175.1° |
| C78 | C79 | N34 | H146 | 15.7° | 5.0° |
| H142 | C78 | C79 | N34 | 41.8° | 64.9° |
| H142 | C78 | C79 | H144 | 78.6° | 175.1° |
| H142 | C78 | C79 | H145 | 162.1° | 55.1° |
| H143 | C78 | C79 | N34 | 161.1° | 55.1° |
| H143 | C78 | C79 | H144 | 40.7° | 64.9° |
| H143 | C78 | C79 | H145 | 78.6° | 175.1° |
| N34 | C79 | H144 | H145 | 118.9° | 120.0° |
| C79 | N34 | C80 | H146 | 180.0° | 179.9° |
| C79 | N34 | C80 | N35 | 11.3° | 5.1° |
| C79 | N34 | C80 | N36 | 170.9° | 174.8° |
| H144 | C79 | N34 | C80 | 75.3° | 64.9° |
| H144 | C79 | N34 | H146 | 104.7° | 115.0° |
| H145 | C79 | N34 | C80 | 44.0° | 55.1° |
| H145 | C79 | N34 | H146 | 136.0° | 125.0° |
| N34 | C80 | N35 | N36 | 177.8° | 179.9° |
| N34 | C80 | N35 | H147 | 177.7° | 0.1° |
| N34 | C80 | N35 | H148 | 2.3° | 180.0° |
| N34 | C80 | N36 | H149 | 177.7° | 174.9° |
| N34 | C80 | N36 | H150 | 2.2° | 5.1° |
| H146 | N34 | C80 | N35 | 168.7° | 174.8° |
| H146 | N34 | C80 | N36 | 9.1° | 5.3° |
| C80 | N35 | H147 | H148 | 180.0° | 179.9° |
| N35 | C80 | N36 | H149 | 0.0° | 5.0° |
| N35 | C80 | N36 | H150 | 180.0° | 175.0° |
| N36 | C80 | N35 | H147 | 0.0° | 180.0° |
| N36 | C80 | N35 | H148 | 180.0° | 0.1° |
| C80 | N36 | H149 | H150 | 180.0° | 180.0° |
