PRD_002560
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.50Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.46Å | 1.44Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.59Å | |
| C7 | C9 | sing | 1.53Å | 1.58Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.20Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | O4 | sing | 1.34Å | 1.22Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.60Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O5 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O6 | doub | 1.21Å | 1.19Å | |
| C16 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N5 | C17 | sing | 1.47Å | 1.51Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C21 | sing | 1.51Å | 1.50Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | O7 | doub | 1.21Å | 1.24Å | |
| N6 | C22 | sing | 1.46Å | 1.43Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.53Å | 1.59Å | |
| C22 | C27 | sing | 1.51Å | 1.56Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.49Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.20Å | |
| N7 | C28 | sing | 1.47Å | 1.48Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| C28 | C30 | sing | 1.53Å | 1.59Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | O9 | doub | 1.21Å | 1.24Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | O10 | doub | 1.21Å | 1.20Å | |
| C32 | N8 | sing | 1.35Å | 1.37Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| N8 | H54 | sing | 0.97Å | 1.00Å | |
| N9 | C33 | sing | 1.46Å | 1.44Å | |
| N9 | H55 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.53Å | 1.59Å | |
| C33 | C37 | sing | 1.51Å | 1.55Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.59Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | O11 | doub | 1.21Å | 1.20Å | |
| N10 | C38 | sing | 1.46Å | 1.44Å | |
| N10 | H64 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | C43 | sing | 1.51Å | 1.53Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.58Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C43 | O12 | doub | 1.21Å | 1.24Å | |
| N11 | C44 | sing | 1.46Å | 1.43Å | |
| N11 | H75 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.59Å | |
| C44 | C46 | sing | 1.53Å | 1.58Å | |
| C44 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | O13 | doub | 1.21Å | 1.26Å | |
| C46 | C47 | sing | 1.53Å | 1.55Å | |
| C46 | H77 | sing | 1.09Å | 1.10Å | |
| C46 | H78 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.51Å | 1.58Å | |
| C47 | H79 | sing | 1.09Å | 1.10Å | |
| C47 | H80 | sing | 1.09Å | 1.10Å | |
| C48 | O14 | doub | 1.21Å | 1.26Å | |
| C48 | N12 | sing | 1.35Å | 1.37Å | |
| N12 | H81 | sing | 0.97Å | 1.00Å | |
| N12 | H82 | sing | 0.97Å | 1.00Å | |
| N13 | C49 | sing | 1.47Å | 1.42Å | |
| N13 | H83 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.54Å | |
| C49 | C51 | sing | 1.53Å | 1.57Å | |
| C49 | H84 | sing | 1.09Å | 1.10Å | |
| C50 | O15 | doub | 1.21Å | 1.19Å | |
| C51 | O16 | sing | 1.45Å | 1.42Å | |
| C51 | H85 | sing | 1.09Å | 1.10Å | |
| C51 | H86 | sing | 1.09Å | 1.10Å | |
| N14 | C52 | sing | 1.48Å | 1.46Å | |
| N14 | H87 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C52 | C54 | sing | 1.53Å | 1.58Å | |
| C52 | H88 | sing | 1.09Å | 1.10Å | |
| C53 | O17 | doub | 1.21Å | 1.20Å | |
| C54 | C55 | sing | 1.53Å | 1.59Å | |
| C54 | C56 | sing | 1.53Å | 1.49Å | |
| C54 | H89 | sing | 1.09Å | 1.10Å | |
| C55 | H90 | sing | 1.09Å | 1.10Å | |
| C55 | H91 | sing | 1.09Å | 1.10Å | |
| C55 | H92 | sing | 1.09Å | 1.10Å | |
| C56 | H93 | sing | 1.09Å | 1.10Å | |
| C56 | H94 | sing | 1.09Å | 1.10Å | |
| C56 | H95 | sing | 1.09Å | 1.10Å | |
| N15 | C57 | sing | 1.48Å | 1.46Å | |
| N15 | H96 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.56Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | H97 | sing | 1.09Å | 1.10Å | |
| C58 | O18 | doub | 1.21Å | 1.16Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C59 | H98 | sing | 1.09Å | 1.10Å | |
| C59 | H99 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.48Å | |
| C60 | C62 | sing | 1.53Å | 1.52Å | |
| C60 | H100 | sing | 1.09Å | 1.10Å | |
| C61 | H101 | sing | 1.09Å | 1.10Å | |
| C61 | H102 | sing | 1.09Å | 1.10Å | |
| C61 | H103 | sing | 1.09Å | 1.10Å | |
| C62 | H104 | sing | 1.09Å | 1.10Å | |
| C62 | H105 | sing | 1.09Å | 1.10Å | |
| C62 | H106 | sing | 1.09Å | 1.10Å | |
| N16 | C63 | sing | 1.49Å | 1.51Å | |
| N16 | H107 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.55Å | |
| C63 | C65 | sing | 1.53Å | 1.52Å | |
| C63 | H108 | sing | 1.09Å | 1.10Å | |
| C64 | O19 | doub | 1.21Å | 1.26Å | |
| C65 | O20 | sing | 1.43Å | 1.48Å | |
| C65 | H109 | sing | 1.09Å | 1.10Å | |
| C65 | H110 | sing | 1.09Å | 1.10Å | |
| O20 | H111 | sing | 0.97Å | 0.95Å | |
| N17 | C66 | sing | 1.48Å | 1.53Å | |
| N17 | H112 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.51Å | 1.52Å | |
| C66 | C68 | sing | 1.53Å | 1.57Å | |
| C66 | H113 | sing | 1.09Å | 1.10Å | |
| C67 | O21 | doub | 1.21Å | 1.23Å | |
| C68 | C69 | sing | 1.53Å | 1.56Å | |
| C68 | C70 | sing | 1.53Å | 1.58Å | |
| C68 | H114 | sing | 1.09Å | 1.10Å | |
| C69 | C71 | sing | 1.53Å | 1.56Å | |
| C69 | H115 | sing | 1.09Å | 1.10Å | |
| C69 | H116 | sing | 1.09Å | 1.10Å | |
| C70 | H117 | sing | 1.09Å | 1.10Å | |
| C70 | H118 | sing | 1.09Å | 1.10Å | |
| C70 | H119 | sing | 1.09Å | 1.10Å | |
| C71 | H120 | sing | 1.09Å | 1.10Å | |
| C71 | H121 | sing | 1.09Å | 1.10Å | |
| C71 | H122 | sing | 1.09Å | 1.10Å | |
| O23 | C74 | sing | 1.43Å | 1.43Å | |
| C73 | C72 | sing | 1.51Å | 1.55Å | |
| C73 | O22 | doub | 1.21Å | 1.22Å | |
| C72 | C74 | sing | 1.53Å | 1.55Å | |
| C74 | C75 | sing | 1.53Å | 1.52Å | |
| C75 | C76 | sing | 1.53Å | 1.57Å | |
| C76 | C77 | sing | 1.53Å | 1.58Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C78 | C79 | sing | 1.53Å | 1.55Å | |
| C79 | C81 | sing | 1.53Å | 1.57Å | |
| C81 | C80 | sing | 1.53Å | 1.55Å | |
| C72 | H123 | sing | 1.09Å | 1.10Å | |
| C72 | H124 | sing | 1.09Å | 1.10Å | |
| C74 | H125 | sing | 1.09Å | 1.10Å | |
| C75 | H126 | sing | 1.09Å | 1.10Å | |
| C75 | H127 | sing | 1.09Å | 1.10Å | |
| O23 | H128 | sing | 0.97Å | 0.95Å | |
| C76 | H129 | sing | 1.09Å | 1.10Å | |
| C76 | H130 | sing | 1.09Å | 1.10Å | |
| C77 | H131 | sing | 1.09Å | 1.10Å | |
| C77 | H132 | sing | 1.09Å | 1.10Å | |
| C78 | H133 | sing | 1.09Å | 1.10Å | |
| C78 | H134 | sing | 1.09Å | 1.10Å | |
| C79 | H135 | sing | 1.09Å | 1.10Å | |
| C79 | H136 | sing | 1.09Å | 1.10Å | |
| C80 | H137 | sing | 1.09Å | 1.10Å | |
| C80 | H138 | sing | 1.09Å | 1.10Å | |
| C80 | H139 | sing | 1.09Å | 1.10Å | |
| C81 | H140 | sing | 1.09Å | 1.10Å | |
| C81 | H141 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.41Å | |
| C8 | N3 | sing | 1.35Å | 1.37Å | |
| C13 | N5 | sing | 1.35Å | 1.38Å | |
| C21 | N6 | sing | 1.35Å | 1.41Å | |
| C27 | N7 | sing | 1.35Å | 1.38Å | |
| C29 | N9 | sing | 1.35Å | 1.36Å | |
| C37 | N10 | sing | 1.35Å | 1.38Å | |
| C43 | N11 | sing | 1.35Å | 1.43Å | |
| C45 | N13 | sing | 1.35Å | 1.42Å | |
| C50 | N14 | sing | 1.37Å | 1.40Å | |
| O16 | C67 | sing | 1.34Å | 1.33Å | |
| C53 | N15 | sing | 1.36Å | 1.38Å | |
| C58 | N16 | sing | 1.37Å | 1.37Å | |
| C64 | N17 | sing | 1.36Å | 1.39Å | |
| N1 | C73 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 117.0° | 120.0° |
| N1 | C1 | C2 | 108.5° | 109.5° |
| N1 | C1 | C3 | 119.0° | 109.5° |
| N1 | C1 | H2 | 108.1° | 109.5° |
| C1 | N1 | C73 | 126.0° | 120.0° |
| H1 | N1 | C73 | 117.0° | 120.0° |
| C2 | C1 | C3 | 106.5° | 109.5° |
| C2 | C1 | H2 | 107.1° | 109.5° |
| C1 | C2 | O1 | 123.9° | 120.0° |
| C1 | C2 | N2 | 118.0° | 120.0° |
| C3 | C1 | H2 | 107.1° | 109.5° |
| C1 | C3 | C4 | 116.2° | 109.5° |
| C1 | C3 | H3 | 107.8° | 109.5° |
| C1 | C3 | H4 | 107.7° | 109.5° |
| O1 | C2 | N2 | 118.0° | 120.0° |
| C4 | C3 | H3 | 107.8° | 109.4° |
| C4 | C3 | H4 | 107.8° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C3 | C4 | C6 | 108.6° | 109.5° |
| C3 | C4 | H5 | 109.2° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| C5 | C4 | C6 | 106.1° | 109.5° |
| C5 | C4 | H5 | 109.6° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C6 | C4 | H5 | 109.5° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.5° |
| C4 | C6 | H10 | 109.4° | 109.4° |
| C4 | C6 | H11 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| C7 | N2 | H12 | 117.2° | 120.0° |
| N2 | C7 | C8 | 105.6° | 109.4° |
| N2 | C7 | C9 | 114.8° | 109.5° |
| N2 | C7 | H13 | 108.5° | 109.4° |
| C7 | N2 | C2 | 125.7° | 120.0° |
| H12 | N2 | C2 | 117.2° | 120.0° |
| C8 | C7 | C9 | 114.1° | 109.5° |
| C8 | C7 | H13 | 106.7° | 109.5° |
| C7 | C8 | O2 | 117.2° | 120.0° |
| C7 | C8 | N3 | 121.3° | 120.0° |
| C9 | C7 | H13 | 106.8° | 109.5° |
| C7 | C9 | C10 | 112.9° | 109.5° |
| C7 | C9 | H14 | 108.6° | 109.4° |
| C7 | C9 | H15 | 108.6° | 109.5° |
| O2 | C8 | N3 | 121.5° | 120.0° |
| C10 | C9 | H14 | 108.6° | 109.5° |
| C10 | C9 | H15 | 108.6° | 109.5° |
| C9 | C10 | C11 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.4° | 109.4° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C11 | C10 | H16 | 109.4° | 109.4° |
| C11 | C10 | H17 | 109.5° | 109.5° |
| C10 | C11 | O3 | 119.2° | 120.0° |
| C10 | C11 | O4 | 118.6° | 120.0° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| O3 | C11 | O4 | 122.1° | 120.0° |
| C11 | O4 | H18 | 109.5° | 116.9° |
| C12 | N3 | H19 | 117.9° | 120.0° |
| N3 | C12 | C13 | 114.5° | 109.5° |
| N3 | C12 | C14 | 111.2° | 109.5° |
| N3 | C12 | H20 | 108.1° | 109.5° |
| C12 | N3 | C8 | 124.3° | 120.0° |
| H19 | N3 | C8 | 117.8° | 120.0° |
| C13 | C12 | C14 | 108.7° | 109.5° |
| C13 | C12 | H20 | 107.4° | 109.4° |
| C12 | C13 | O5 | 124.4° | 120.0° |
| C12 | C13 | N5 | 115.3° | 120.0° |
| C14 | C12 | H20 | 106.5° | 109.5° |
| C12 | C14 | C15 | 114.8° | 109.5° |
| C12 | C14 | H21 | 108.1° | 109.5° |
| C12 | C14 | H22 | 108.1° | 109.5° |
| O5 | C13 | N5 | 119.8° | 120.0° |
| C15 | C14 | H21 | 108.1° | 109.4° |
| C15 | C14 | H22 | 108.1° | 109.4° |
| C14 | C15 | C16 | 114.0° | 109.5° |
| C14 | C15 | H23 | 108.3° | 109.5° |
| C14 | C15 | H24 | 108.3° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| C16 | C15 | H23 | 108.3° | 109.4° |
| C16 | C15 | H24 | 108.3° | 109.5° |
| C15 | C16 | O6 | 129.2° | 120.0° |
| C15 | C16 | N4 | 122.6° | 120.0° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| O6 | C16 | N4 | 107.9° | 120.0° |
| C16 | N4 | H25 | 120.0° | 120.0° |
| C16 | N4 | H26 | 120.0° | 120.0° |
| H25 | N4 | H26 | 120.0° | 120.0° |
| C17 | N5 | H27 | 120.4° | 120.0° |
| N5 | C17 | C18 | 113.8° | 109.5° |
| N5 | C17 | C21 | 112.3° | 109.4° |
| N5 | C17 | H28 | 106.7° | 109.4° |
| C17 | N5 | C13 | 119.3° | 120.0° |
| H27 | N5 | C13 | 120.3° | 120.0° |
| C18 | C17 | C21 | 110.3° | 109.5° |
| C18 | C17 | H28 | 106.3° | 109.4° |
| C17 | C18 | C19 | 103.7° | 109.5° |
| C17 | C18 | C20 | 119.2° | 109.5° |
| C17 | C18 | H29 | 106.5° | 109.5° |
| C21 | C17 | H28 | 106.9° | 109.5° |
| C17 | C21 | O7 | 121.0° | 120.0° |
| C17 | C21 | N6 | 117.3° | 120.0° |
| C19 | C18 | C20 | 113.1° | 109.5° |
| C19 | C18 | H29 | 106.7° | 109.4° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.4° | 109.5° |
| C18 | C19 | H32 | 109.5° | 109.5° |
| C20 | C18 | H29 | 106.8° | 109.4° |
| C18 | C20 | H33 | 109.5° | 109.5° |
| C18 | C20 | H34 | 109.5° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.4° |
| H30 | C19 | H31 | 109.5° | 109.4° |
| H30 | C19 | H32 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H35 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.4° | 109.4° |
| O7 | C21 | N6 | 121.0° | 120.0° |
| C22 | N6 | H36 | 120.3° | 120.0° |
| N6 | C22 | C23 | 108.0° | 109.4° |
| N6 | C22 | C27 | 111.4° | 109.5° |
| N6 | C22 | H37 | 109.0° | 109.4° |
| C22 | N6 | C21 | 119.3° | 120.0° |
| H36 | N6 | C21 | 120.3° | 120.0° |
| C23 | C22 | C27 | 113.9° | 109.5° |
| C23 | C22 | H37 | 107.0° | 109.4° |
| C22 | C23 | C24 | 110.9° | 109.5° |
| C22 | C23 | H38 | 109.1° | 109.5° |
| C22 | C23 | H39 | 109.1° | 109.5° |
| C27 | C22 | H37 | 107.3° | 109.5° |
| C22 | C27 | O8 | 115.7° | 120.0° |
| C22 | C27 | N7 | 121.0° | 120.0° |
| C24 | C23 | H38 | 109.1° | 109.4° |
| C24 | C23 | H39 | 109.1° | 109.5° |
| C23 | C24 | C25 | 110.5° | 109.5° |
| C23 | C24 | C26 | 110.3° | 109.5° |
| C23 | C24 | H40 | 111.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| C25 | C24 | C26 | 101.5° | 109.5° |
| C25 | C24 | H40 | 110.9° | 109.4° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.5° | 109.5° |
| C24 | C25 | H43 | 109.5° | 109.4° |
| C26 | C24 | H40 | 111.7° | 109.4° |
| C24 | C26 | H44 | 109.5° | 109.5° |
| C24 | C26 | H45 | 109.5° | 109.4° |
| C24 | C26 | H46 | 109.5° | 109.5° |
| H41 | C25 | H42 | 109.5° | 109.4° |
| H41 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.5° | 109.4° |
| H44 | C26 | H46 | 109.5° | 109.5° |
| H45 | C26 | H46 | 109.4° | 109.5° |
| O8 | C27 | N7 | 123.2° | 120.0° |
| C28 | N7 | H47 | 118.2° | 120.0° |
| N7 | C28 | C29 | 111.4° | 109.5° |
| N7 | C28 | C30 | 110.5° | 109.4° |
| N7 | C28 | H48 | 109.2° | 109.5° |
| C28 | N7 | C27 | 123.7° | 120.0° |
| H47 | N7 | C27 | 118.1° | 120.0° |
| C29 | C28 | C30 | 109.7° | 109.5° |
| C29 | C28 | H48 | 108.2° | 109.5° |
| C28 | C29 | O9 | 122.3° | 120.0° |
| C28 | C29 | N9 | 118.7° | 120.0° |
| C30 | C28 | H48 | 107.8° | 109.5° |
| C28 | C30 | C31 | 114.7° | 109.5° |
| C28 | C30 | H49 | 108.1° | 109.5° |
| C28 | C30 | H50 | 108.2° | 109.6° |
| O9 | C29 | N9 | 119.0° | 120.0° |
| C31 | C30 | H49 | 108.1° | 109.4° |
| C31 | C30 | H50 | 108.1° | 109.5° |
| C30 | C31 | C32 | 114.5° | 109.5° |
| C30 | C31 | H51 | 108.2° | 109.5° |
| C30 | C31 | H52 | 108.2° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| C32 | C31 | H51 | 108.2° | 109.5° |
| C32 | C31 | H52 | 108.2° | 109.5° |
| C31 | C32 | O10 | 126.8° | 120.0° |
| C31 | C32 | N8 | 114.7° | 120.0° |
| H51 | C31 | H52 | 109.5° | 109.4° |
| O10 | C32 | N8 | 118.4° | 120.0° |
| C32 | N8 | H53 | 120.0° | 120.0° |
| C32 | N8 | H54 | 120.0° | 120.0° |
| H53 | N8 | H54 | 120.0° | 120.0° |
| C33 | N9 | H55 | 118.0° | 120.0° |
| N9 | C33 | C34 | 108.3° | 109.4° |
| N9 | C33 | C37 | 108.4° | 109.5° |
| N9 | C33 | H56 | 110.5° | 109.5° |
| C33 | N9 | C29 | 124.1° | 120.0° |
| H55 | N9 | C29 | 117.9° | 120.0° |
| C34 | C33 | C37 | 112.4° | 109.5° |
| C34 | C33 | H56 | 108.4° | 109.4° |
| C33 | C34 | C35 | 117.1° | 109.4° |
| C33 | C34 | C36 | 110.6° | 109.5° |
| C33 | C34 | H57 | 106.7° | 109.4° |
| C37 | C33 | H56 | 108.9° | 109.5° |
| C33 | C37 | O11 | 120.2° | 120.0° |
| C33 | C37 | N10 | 119.2° | 120.0° |
| C35 | C34 | C36 | 107.6° | 109.5° |
| C35 | C34 | H57 | 107.5° | 109.5° |
| C34 | C35 | H58 | 109.5° | 109.5° |
| C34 | C35 | H59 | 109.5° | 109.5° |
| C34 | C35 | H60 | 109.5° | 109.5° |
| C36 | C34 | H57 | 106.7° | 109.5° |
| C34 | C36 | H61 | 109.5° | 109.4° |
| C34 | C36 | H62 | 109.5° | 109.5° |
| C34 | C36 | H63 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.4° |
| H58 | C35 | H60 | 109.5° | 109.5° |
| H59 | C35 | H60 | 109.4° | 109.4° |
| H61 | C36 | H62 | 109.4° | 109.4° |
| H61 | C36 | H63 | 109.5° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.5° |
| O11 | C37 | N10 | 120.6° | 120.0° |
| C38 | N10 | H64 | 117.6° | 120.0° |
| N10 | C38 | C39 | 109.9° | 109.5° |
| N10 | C38 | C43 | 105.9° | 109.5° |
| N10 | C38 | H65 | 111.3° | 109.5° |
| C38 | N10 | C37 | 125.0° | 120.0° |
| H64 | N10 | C37 | 117.5° | 120.0° |
| C39 | C38 | C43 | 109.9° | 109.4° |
| C39 | C38 | H65 | 109.7° | 109.5° |
| C38 | C39 | C40 | 110.7° | 109.5° |
| C38 | C39 | H66 | 109.2° | 109.5° |
| C38 | C39 | H67 | 109.2° | 109.5° |
| C43 | C38 | H65 | 110.1° | 109.5° |
| C38 | C43 | O12 | 116.7° | 120.0° |
| C38 | C43 | N11 | 121.5° | 120.0° |
| C40 | C39 | H66 | 109.2° | 109.4° |
| C40 | C39 | H67 | 109.2° | 109.4° |
| C39 | C40 | C41 | 111.1° | 109.5° |
| C39 | C40 | C42 | 108.7° | 109.5° |
| C39 | C40 | H68 | 110.7° | 109.5° |
| H66 | C39 | H67 | 109.5° | 109.4° |
| C41 | C40 | C42 | 105.9° | 109.5° |
| C41 | C40 | H68 | 109.7° | 109.4° |
| C40 | C41 | H69 | 109.5° | 109.5° |
| C40 | C41 | H70 | 109.4° | 109.5° |
| C40 | C41 | H71 | 109.4° | 109.4° |
| C42 | C40 | H68 | 110.5° | 109.5° |
| C40 | C42 | H72 | 109.5° | 109.5° |
| C40 | C42 | H73 | 109.5° | 109.5° |
| C40 | C42 | H74 | 109.5° | 109.5° |
| H69 | C41 | H70 | 109.5° | 109.5° |
| H69 | C41 | H71 | 109.4° | 109.4° |
| H70 | C41 | H71 | 109.5° | 109.4° |
| H72 | C42 | H73 | 109.4° | 109.5° |
| H72 | C42 | H74 | 109.4° | 109.4° |
| H73 | C42 | H74 | 109.5° | 109.5° |
| O12 | C43 | N11 | 121.5° | 120.0° |
| C44 | N11 | H75 | 117.7° | 120.0° |
| N11 | C44 | C45 | 112.6° | 109.4° |
| N11 | C44 | C46 | 108.4° | 109.5° |
| N11 | C44 | H76 | 109.2° | 109.5° |
| C44 | N11 | C43 | 124.7° | 120.0° |
| H75 | N11 | C43 | 117.7° | 120.0° |
| C45 | C44 | C46 | 111.9° | 109.5° |
| C45 | C44 | H76 | 107.2° | 109.5° |
| C44 | C45 | O13 | 118.6° | 120.0° |
| C44 | C45 | N13 | 115.2° | 120.0° |
| C46 | C44 | H76 | 107.3° | 109.5° |
| C44 | C46 | C47 | 112.4° | 109.5° |
| C44 | C46 | H77 | 108.7° | 109.5° |
| C44 | C46 | H78 | 108.8° | 109.5° |
| O13 | C45 | N13 | 126.2° | 120.0° |
| C47 | C46 | H77 | 108.8° | 109.4° |
| C47 | C46 | H78 | 108.7° | 109.5° |
| C46 | C47 | C48 | 110.0° | 109.5° |
| C46 | C47 | H79 | 109.3° | 109.4° |
| C46 | C47 | H80 | 109.3° | 109.5° |
| H77 | C46 | H78 | 109.5° | 109.5° |
| C48 | C47 | H79 | 109.4° | 109.5° |
| C48 | C47 | H80 | 109.4° | 109.5° |
| C47 | C48 | O14 | 122.5° | 120.0° |
| C47 | C48 | N12 | 120.1° | 120.0° |
| H79 | C47 | H80 | 109.5° | 109.4° |
| O14 | C48 | N12 | 116.4° | 120.0° |
| C48 | N12 | H81 | 120.0° | 120.0° |
| C48 | N12 | H82 | 120.0° | 120.0° |
| H81 | N12 | H82 | 120.0° | 120.0° |
| C49 | N13 | H83 | 119.9° | 120.0° |
| N13 | C49 | C50 | 115.4° | 109.4° |
| N13 | C49 | C51 | 111.0° | 109.4° |
| N13 | C49 | H84 | 106.7° | 109.4° |
| C49 | N13 | C45 | 120.1° | 120.0° |
| H83 | N13 | C45 | 120.0° | 120.0° |
| C50 | C49 | C51 | 112.2° | 109.9° |
| C50 | C49 | H84 | 105.4° | 109.4° |
| C49 | C50 | O15 | 124.1° | 120.7° |
| C49 | C50 | N14 | 114.0° | 118.5° |
| C51 | C49 | H84 | 105.1° | 109.3° |
| C49 | C51 | O16 | 109.8° | 109.4° |
| C49 | C51 | H85 | 109.4° | 109.5° |
| C49 | C51 | H86 | 109.4° | 109.4° |
| O15 | C50 | N14 | 121.9° | 120.7° |
| O16 | C51 | H85 | 109.4° | 109.5° |
| O16 | C51 | H86 | 109.4° | 109.5° |
| C51 | O16 | C67 | 121.9° | 116.7° |
| H85 | C51 | H86 | 109.5° | 109.5° |
| C52 | N14 | H87 | 118.1° | 122.7° |
| N14 | C52 | C53 | 107.1° | 108.9° |
| N14 | C52 | C54 | 112.9° | 109.6° |
| N14 | C52 | H88 | 108.1° | 109.6° |
| C52 | N14 | C50 | 123.8° | 114.5° |
| H87 | N14 | C50 | 118.1° | 122.8° |
| C53 | C52 | C54 | 114.4° | 109.6° |
| C53 | C52 | H88 | 107.2° | 109.6° |
| C52 | C53 | O17 | 120.7° | 120.7° |
| C52 | C53 | N15 | 115.3° | 118.7° |
| C54 | C52 | H88 | 106.7° | 109.7° |
| C52 | C54 | C55 | 113.6° | 109.5° |
| C52 | C54 | C56 | 117.2° | 109.5° |
| C52 | C54 | H89 | 106.0° | 109.5° |
| O17 | C53 | N15 | 123.9° | 120.6° |
| C55 | C54 | C56 | 106.7° | 109.5° |
| C55 | C54 | H89 | 105.8° | 109.5° |
| C54 | C55 | H90 | 109.5° | 109.5° |
| C54 | C55 | H91 | 109.5° | 109.5° |
| C54 | C55 | H92 | 109.5° | 109.5° |
| C56 | C54 | H89 | 106.9° | 109.5° |
| C54 | C56 | H93 | 109.5° | 109.5° |
| C54 | C56 | H94 | 109.5° | 109.5° |
| C54 | C56 | H95 | 109.5° | 109.5° |
| H90 | C55 | H91 | 109.5° | 109.4° |
| H90 | C55 | H92 | 109.5° | 109.5° |
| H91 | C55 | H92 | 109.5° | 109.5° |
| H93 | C56 | H94 | 109.5° | 109.4° |
| H93 | C56 | H95 | 109.4° | 109.5° |
| H94 | C56 | H95 | 109.5° | 109.5° |
| C57 | N15 | H96 | 118.0° | 121.9° |
| N15 | C57 | C58 | 114.7° | 109.0° |
| N15 | C57 | C59 | 115.7° | 109.6° |
| N15 | C57 | H97 | 105.2° | 109.6° |
| C57 | N15 | C53 | 124.1° | 116.1° |
| H96 | N15 | C53 | 118.0° | 121.9° |
| C58 | C57 | C59 | 111.1° | 109.5° |
| C58 | C57 | H97 | 104.2° | 109.6° |
| C57 | C58 | O18 | 119.7° | 120.8° |
| C57 | C58 | N16 | 115.8° | 118.4° |
| C59 | C57 | H97 | 104.6° | 109.6° |
| C57 | C59 | C60 | 117.2° | 109.5° |
| C57 | C59 | H98 | 107.5° | 109.5° |
| C57 | C59 | H99 | 107.5° | 109.5° |
| O18 | C58 | N16 | 124.3° | 120.8° |
| C60 | C59 | H98 | 107.5° | 109.4° |
| C60 | C59 | H99 | 107.5° | 109.5° |
| C59 | C60 | C61 | 106.2° | 109.5° |
| C59 | C60 | C62 | 109.6° | 109.4° |
| C59 | C60 | H100 | 110.0° | 109.5° |
| H98 | C59 | H99 | 109.5° | 109.5° |
| C61 | C60 | C62 | 109.6° | 109.5° |
| C61 | C60 | H100 | 111.0° | 109.5° |
| C60 | C61 | H101 | 109.5° | 109.4° |
| C60 | C61 | H102 | 109.4° | 109.5° |
| C60 | C61 | H103 | 109.5° | 109.5° |
| C62 | C60 | H100 | 110.4° | 109.5° |
| C60 | C62 | H104 | 109.5° | 109.5° |
| C60 | C62 | H105 | 109.4° | 109.5° |
| C60 | C62 | H106 | 109.5° | 109.5° |
| H101 | C61 | H102 | 109.5° | 109.4° |
| H101 | C61 | H103 | 109.5° | 109.5° |
| H102 | C61 | H103 | 109.5° | 109.6° |
| H104 | C62 | H105 | 109.5° | 109.5° |
| H104 | C62 | H106 | 109.5° | 109.4° |
| H105 | C62 | H106 | 109.5° | 109.5° |
| C63 | N16 | H107 | 119.1° | 122.8° |
| N16 | C63 | C64 | 115.5° | 108.1° |
| N16 | C63 | C65 | 110.7° | 109.8° |
| N16 | C63 | H108 | 104.9° | 109.7° |
| C63 | N16 | C58 | 121.7° | 114.3° |
| H107 | N16 | C58 | 119.1° | 122.9° |
| C64 | C63 | C65 | 115.0° | 109.7° |
| C64 | C63 | H108 | 104.5° | 109.7° |
| C63 | C64 | O19 | 123.8° | 120.3° |
| C63 | C64 | N17 | 118.9° | 119.4° |
| C65 | C63 | H108 | 104.9° | 109.7° |
| C63 | C65 | O20 | 109.8° | 109.4° |
| C63 | C65 | H109 | 109.4° | 109.5° |
| C63 | C65 | H110 | 109.4° | 109.5° |
| O19 | C64 | N17 | 117.3° | 120.3° |
| O20 | C65 | H109 | 109.4° | 109.5° |
| O20 | C65 | H110 | 109.4° | 109.5° |
| C65 | O20 | H111 | 109.5° | 113.9° |
| H109 | C65 | H110 | 109.5° | 109.5° |
| C66 | N17 | H112 | 117.1° | 122.1° |
| N17 | C66 | C67 | 108.8° | 108.2° |
| N17 | C66 | C68 | 112.3° | 109.7° |
| N17 | C66 | H113 | 107.6° | 109.8° |
| C66 | N17 | C64 | 125.8° | 115.7° |
| H112 | N17 | C64 | 117.1° | 122.2° |
| C67 | C66 | C68 | 113.1° | 109.7° |
| C67 | C66 | H113 | 107.7° | 109.7° |
| C66 | C67 | O21 | 120.9° | 119.8° |
| C66 | C67 | O16 | 114.4° | 120.5° |
| C68 | C66 | H113 | 107.1° | 109.7° |
| C66 | C68 | C69 | 113.0° | 109.5° |
| C66 | C68 | C70 | 115.1° | 109.5° |
| C66 | C68 | H114 | 106.8° | 109.5° |
| O21 | C67 | O16 | 123.3° | 119.8° |
| C69 | C68 | C70 | 107.9° | 109.5° |
| C69 | C68 | H114 | 106.9° | 109.5° |
| C68 | C69 | C71 | 119.7° | 109.5° |
| C68 | C69 | H115 | 106.9° | 109.5° |
| C68 | C69 | H116 | 106.9° | 109.5° |
| C70 | C68 | H114 | 106.7° | 109.5° |
| C68 | C70 | H117 | 109.5° | 109.5° |
| C68 | C70 | H118 | 109.5° | 109.5° |
| C68 | C70 | H119 | 109.5° | 109.5° |
| C71 | C69 | H115 | 106.8° | 109.5° |
| C71 | C69 | H116 | 106.8° | 109.5° |
| C69 | C71 | H120 | 109.5° | 109.5° |
| C69 | C71 | H121 | 109.5° | 109.5° |
| C69 | C71 | H122 | 109.5° | 109.5° |
| H115 | C69 | H116 | 109.5° | 109.5° |
| H117 | C70 | H118 | 109.4° | 109.5° |
| H117 | C70 | H119 | 109.5° | 109.5° |
| H118 | C70 | H119 | 109.5° | 109.4° |
| H120 | C71 | H121 | 109.5° | 109.5° |
| H120 | C71 | H122 | 109.5° | 109.5° |
| H121 | C71 | H122 | 109.5° | 109.4° |
| O23 | C74 | C72 | 99.5° | 109.5° |
| O23 | C74 | C75 | 107.1° | 109.5° |
| O23 | C74 | H125 | 114.4° | 109.5° |
| C74 | O23 | H128 | 109.5° | 114.0° |
| C72 | C73 | O22 | 125.1° | 120.0° |
| C73 | C72 | C74 | 111.7° | 109.4° |
| C73 | C72 | H123 | 108.9° | 109.5° |
| C73 | C72 | H124 | 108.9° | 109.5° |
| C72 | C73 | N1 | 114.9° | 120.0° |
| O22 | C73 | N1 | 116.2° | 120.0° |
| C72 | C74 | C75 | 109.9° | 109.4° |
| C74 | C72 | H123 | 108.9° | 109.5° |
| C74 | C72 | H124 | 108.9° | 109.4° |
| C72 | C74 | H125 | 112.3° | 109.4° |
| C74 | C75 | C76 | 115.1° | 109.5° |
| C75 | C74 | H125 | 112.8° | 109.4° |
| C74 | C75 | H126 | 108.0° | 109.5° |
| C74 | C75 | H127 | 108.1° | 109.5° |
| C75 | C76 | C77 | 118.1° | 109.5° |
| C76 | C75 | H126 | 108.1° | 109.4° |
| C76 | C75 | H127 | 108.0° | 109.5° |
| C75 | C76 | H129 | 107.3° | 109.4° |
| C75 | C76 | H130 | 107.3° | 109.5° |
| C76 | C77 | C78 | 121.6° | 109.5° |
| C77 | C76 | H129 | 107.3° | 109.4° |
| C77 | C76 | H130 | 107.2° | 109.5° |
| C76 | C77 | H131 | 106.4° | 109.4° |
| C76 | C77 | H132 | 106.4° | 109.5° |
| C77 | C78 | C79 | 118.1° | 109.5° |
| C78 | C77 | H131 | 106.4° | 109.4° |
| C78 | C77 | H132 | 106.4° | 109.5° |
| C77 | C78 | H133 | 107.2° | 109.4° |
| C77 | C78 | H134 | 107.3° | 109.5° |
| C78 | C79 | C81 | 119.2° | 109.4° |
| C79 | C78 | H133 | 107.3° | 109.5° |
| C79 | C78 | H134 | 107.3° | 109.5° |
| C78 | C79 | H135 | 107.0° | 109.5° |
| C78 | C79 | H136 | 107.0° | 109.4° |
| C79 | C81 | C80 | 114.5° | 109.4° |
| C81 | C79 | H135 | 107.0° | 109.5° |
| C81 | C79 | H136 | 107.0° | 109.4° |
| C79 | C81 | H140 | 108.2° | 109.5° |
| C79 | C81 | H141 | 108.2° | 109.4° |
| C81 | C80 | H137 | 109.5° | 109.5° |
| C81 | C80 | H138 | 109.4° | 109.5° |
| C81 | C80 | H139 | 109.4° | 109.5° |
| C80 | C81 | H140 | 108.2° | 109.5° |
| C80 | C81 | H141 | 108.2° | 109.5° |
| H123 | C72 | H124 | 109.5° | 109.5° |
| H126 | C75 | H127 | 109.5° | 109.4° |
| H129 | C76 | H130 | 109.5° | 109.5° |
| H131 | C77 | H132 | 109.5° | 109.5° |
| H133 | C78 | H134 | 109.5° | 109.4° |
| H135 | C79 | H136 | 109.4° | 109.5° |
| H137 | C80 | H138 | 109.5° | 109.4° |
| H137 | C80 | H139 | 109.5° | 109.5° |
| H138 | C80 | H139 | 109.5° | 109.4° |
| H140 | C81 | H141 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C73 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 129.2° | 120.0° |
| N1 | C1 | C2 | H2 | 116.5° | 120.0° |
| N1 | C1 | C3 | H2 | 122.9° | 120.0° |
| N1 | C1 | C2 | O1 | 129.5° | 15.8° |
| N1 | C1 | C3 | C4 | 68.4° | 176.0° |
| N1 | C1 | C3 | H3 | 52.6° | 56.0° |
| N1 | C1 | C3 | H4 | 170.7° | 64.0° |
| C1 | N1 | C73 | C72 | 170.7° | 175.0° |
| C1 | N1 | C73 | O22 | 30.0° | 5.0° |
| N1 | C1 | C2 | N2 | 45.6° | 164.2° |
| H1 | N1 | C1 | C2 | 109.8° | 20.7° |
| H1 | N1 | C1 | C3 | 128.4° | 99.2° |
| H1 | N1 | C1 | H2 | 6.0° | 140.7° |
| H1 | N1 | C73 | C72 | 9.3° | 5.4° |
| H1 | N1 | C73 | O22 | 150.0° | 174.7° |
| C2 | C1 | C3 | H2 | 114.3° | 120.0° |
| C1 | C2 | O1 | N2 | 175.1° | 180.0° |
| C2 | C1 | C3 | C4 | 168.8° | 64.1° |
| C2 | C1 | C3 | H3 | 70.2° | 175.9° |
| C2 | C1 | C3 | H4 | 47.8° | 56.0° |
| C1 | C2 | N2 | C7 | 171.2° | 173.6° |
| C1 | C2 | N2 | H12 | 8.8° | 6.5° |
| C2 | C1 | N1 | C73 | 70.2° | 158.9° |
| C3 | C1 | C2 | O1 | 0.2° | 104.2° |
| C1 | C3 | C4 | H3 | 121.0° | 120.0° |
| C1 | C3 | C4 | H4 | 121.0° | 120.0° |
| C1 | C3 | H3 | H4 | 116.9° | 120.0° |
| C1 | C3 | C4 | C5 | 67.7° | 65.0° |
| C1 | C3 | C4 | C6 | 174.3° | 175.0° |
| C1 | C3 | C4 | H5 | 55.1° | 55.0° |
| C3 | C1 | C2 | N2 | 174.8° | 75.8° |
| C3 | C1 | N1 | C73 | 51.6° | 81.1° |
| H2 | C1 | C2 | O1 | 114.1° | 135.8° |
| H2 | C1 | C3 | C4 | 54.5° | 55.9° |
| H2 | C1 | C3 | H3 | 175.5° | 64.1° |
| H2 | C1 | C3 | H4 | 66.4° | 176.0° |
| H2 | C1 | C2 | N2 | 70.8° | 44.2° |
| H2 | C1 | N1 | C73 | 174.0° | 38.9° |
| O1 | C2 | N2 | C7 | 13.4° | 6.4° |
| O1 | C2 | N2 | H12 | 166.6° | 173.5° |
| C4 | C3 | H3 | H4 | 116.9° | 120.0° |
| C3 | C4 | C5 | C6 | 119.4° | 120.0° |
| C3 | C4 | C5 | H5 | 122.6° | 119.9° |
| C3 | C4 | C6 | H5 | 119.1° | 119.9° |
| C3 | C4 | C5 | H6 | 180.0° | 64.6° |
| C3 | C4 | C5 | H7 | 60.0° | 175.3° |
| C3 | C4 | C5 | H8 | 60.0° | 55.4° |
| C3 | C4 | C6 | H9 | 180.0° | 60.0° |
| C3 | C4 | C6 | H10 | 60.0° | 180.0° |
| C3 | C4 | C6 | H11 | 60.0° | 60.1° |
| H3 | C3 | C4 | C5 | 53.3° | 55.0° |
| H3 | C3 | C4 | C6 | 64.7° | 65.0° |
| H3 | C3 | C4 | H5 | 176.1° | 175.0° |
| H4 | C3 | C4 | C5 | 171.3° | 175.0° |
| H4 | C3 | C4 | C6 | 53.4° | 54.9° |
| H4 | C3 | C4 | H5 | 65.9° | 65.0° |
| C5 | C4 | C6 | H5 | 118.1° | 120.0° |
| C4 | C5 | H6 | H7 | 120.0° | 120.1° |
| C4 | C5 | H6 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C5 | C4 | C6 | H9 | 57.2° | 180.0° |
| C5 | C4 | C6 | H10 | 62.8° | 60.0° |
| C5 | C4 | C6 | H11 | 177.2° | 60.0° |
| C6 | C4 | C5 | H6 | 60.7° | 55.4° |
| C6 | C4 | C5 | H7 | 179.4° | 64.7° |
| C6 | C4 | C5 | H8 | 59.4° | 175.4° |
| C4 | C6 | H9 | H10 | 120.0° | 120.0° |
| C4 | C6 | H9 | H11 | 120.0° | 120.0° |
| C4 | C6 | H10 | H11 | 120.0° | 120.0° |
| H5 | C4 | C5 | H6 | 57.4° | 175.4° |
| H5 | C4 | C5 | H7 | 62.6° | 55.4° |
| H5 | C4 | C5 | H8 | 177.4° | 64.6° |
| H5 | C4 | C6 | H9 | 60.9° | 59.9° |
| H5 | C4 | C6 | H10 | 179.1° | 60.1° |
| H5 | C4 | C6 | H11 | 59.1° | 180.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| C7 | N2 | H12 | C2 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 126.9° | 120.0° |
| N2 | C7 | C8 | H13 | 115.4° | 119.9° |
| N2 | C7 | C9 | H13 | 120.3° | 119.9° |
| N2 | C7 | C8 | O2 | 154.0° | 0.0° |
| N2 | C7 | C9 | C10 | 69.3° | 65.0° |
| N2 | C7 | C9 | H14 | 51.2° | 175.0° |
| N2 | C7 | C9 | H15 | 170.2° | 55.1° |
| N2 | C7 | C8 | N3 | 23.7° | 179.9° |
| H12 | N2 | C7 | C8 | 106.6° | 25.0° |
| H12 | N2 | C7 | C9 | 19.9° | 95.0° |
| H12 | N2 | C7 | H13 | 139.3° | 145.0° |
| C8 | C7 | C9 | H13 | 117.6° | 120.1° |
| C7 | C8 | O2 | N3 | 177.7° | 180.0° |
| C8 | C7 | C9 | C10 | 52.7° | 175.0° |
| C8 | C7 | C9 | H14 | 173.2° | 55.0° |
| C8 | C7 | C9 | H15 | 67.8° | 64.9° |
| C7 | C8 | N3 | C12 | 171.7° | 180.0° |
| C7 | C8 | N3 | H19 | 8.3° | 0.0° |
| C8 | C7 | N2 | C2 | 73.4° | 155.0° |
| C9 | C7 | C8 | O2 | 79.0° | 120.0° |
| C7 | C9 | C10 | H14 | 120.5° | 119.9° |
| C7 | C9 | C10 | H15 | 120.5° | 120.1° |
| C7 | C9 | H14 | H15 | 118.5° | 120.0° |
| C7 | C9 | C10 | C11 | 66.5° | 180.0° |
| C7 | C9 | C10 | H16 | 173.5° | 60.1° |
| C7 | C9 | C10 | H17 | 53.6° | 59.9° |
| C9 | C7 | N2 | C2 | 160.0° | 85.0° |
| C9 | C7 | C8 | N3 | 103.2° | 60.1° |
| H13 | C7 | C8 | O2 | 38.7° | 119.9° |
| H13 | C7 | C9 | C10 | 170.3° | 54.9° |
| H13 | C7 | C9 | H14 | 69.2° | 65.1° |
| H13 | C7 | C9 | H15 | 49.8° | 175.0° |
| H13 | C7 | N2 | C2 | 40.7° | 35.0° |
| H13 | C7 | C8 | N3 | 139.1° | 60.0° |
| O2 | C8 | N3 | C12 | 5.9° | 0.0° |
| O2 | C8 | N3 | H19 | 174.1° | 180.0° |
| C10 | C9 | H14 | H15 | 118.4° | 120.1° |
| C9 | C10 | C11 | H16 | 120.0° | 119.9° |
| C9 | C10 | C11 | H17 | 120.0° | 120.1° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| C9 | C10 | C11 | O3 | 69.2° | 0.0° |
| C9 | C10 | C11 | O4 | 108.0° | 180.0° |
| H14 | C9 | C10 | C11 | 54.0° | 60.1° |
| H14 | C9 | C10 | H16 | 66.0° | 180.0° |
| H14 | C9 | C10 | H17 | 174.1° | 60.0° |
| H15 | C9 | C10 | C11 | 173.0° | 59.9° |
| H15 | C9 | C10 | H16 | 53.0° | 60.0° |
| H15 | C9 | C10 | H17 | 67.0° | 180.0° |
| C11 | C10 | H16 | H17 | 120.0° | 120.0° |
| C10 | C11 | O3 | O4 | 177.1° | 180.0° |
| C10 | C11 | O4 | H18 | 177.2° | 180.0° |
| H16 | C10 | C11 | O3 | 50.8° | 119.9° |
| H16 | C10 | C11 | O4 | 132.0° | 60.0° |
| H17 | C10 | C11 | O3 | 170.7° | 120.0° |
| H17 | C10 | C11 | O4 | 12.0° | 60.0° |
| O3 | C11 | O4 | H18 | 0.0° | 0.0° |
| C12 | N3 | H19 | C8 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 125.0° | 120.1° |
| N3 | C12 | C13 | H20 | 120.1° | 120.0° |
| N3 | C12 | C14 | H20 | 117.6° | 120.1° |
| N3 | C12 | C13 | O5 | 127.1° | 0.1° |
| N3 | C12 | C14 | C15 | 51.4° | 65.0° |
| N3 | C12 | C14 | H21 | 172.2° | 175.0° |
| N3 | C12 | C14 | H22 | 69.3° | 55.0° |
| N3 | C12 | C13 | N5 | 45.4° | 180.0° |
| H19 | N3 | C12 | C13 | 114.9° | 25.0° |
| H19 | N3 | C12 | C14 | 8.8° | 95.0° |
| H19 | N3 | C12 | H20 | 125.4° | 145.0° |
| C13 | C12 | C14 | H20 | 115.5° | 119.9° |
| C12 | C13 | O5 | N5 | 172.1° | 179.9° |
| C13 | C12 | C14 | C15 | 178.4° | 175.0° |
| C13 | C12 | C14 | H21 | 60.9° | 55.0° |
| C13 | C12 | C14 | H22 | 57.6° | 65.1° |
| C12 | C13 | N5 | C17 | 170.7° | 180.0° |
| C12 | C13 | N5 | H27 | 9.3° | 0.1° |
| C13 | C12 | N3 | C8 | 65.1° | 155.0° |
| C14 | C12 | C13 | O5 | 107.9° | 120.0° |
| C12 | C14 | C15 | H21 | 120.8° | 120.0° |
| C12 | C14 | C15 | H22 | 120.8° | 120.0° |
| C12 | C14 | H21 | H22 | 117.6° | 120.1° |
| C12 | C14 | C15 | C16 | 43.4° | 180.0° |
| C12 | C14 | C15 | H23 | 164.1° | 60.0° |
| C12 | C14 | C15 | H24 | 77.3° | 60.0° |
| C14 | C12 | N3 | C8 | 171.2° | 85.0° |
| C14 | C12 | C13 | N5 | 79.7° | 59.9° |
| H20 | C12 | C13 | O5 | 7.0° | 120.1° |
| H20 | C12 | C14 | C15 | 66.2° | 55.1° |
| H20 | C12 | C14 | H21 | 54.6° | 64.9° |
| H20 | C12 | C14 | H22 | 173.1° | 175.0° |
| H20 | C12 | N3 | C8 | 54.6° | 35.0° |
| H20 | C12 | C13 | N5 | 165.5° | 60.1° |
| O5 | C13 | N5 | C17 | 2.1° | 0.1° |
| O5 | C13 | N5 | H27 | 177.9° | 179.9° |
| C15 | C14 | H21 | H22 | 117.6° | 119.9° |
| C14 | C15 | C16 | H23 | 120.7° | 120.0° |
| C14 | C15 | C16 | H24 | 120.7° | 120.0° |
| C14 | C15 | H23 | H24 | 117.9° | 120.0° |
| C14 | C15 | C16 | O6 | 55.3° | 0.0° |
| C14 | C15 | C16 | N4 | 132.3° | 180.0° |
| H21 | C14 | C15 | C16 | 77.4° | 60.0° |
| H21 | C14 | C15 | H23 | 43.3° | 180.0° |
| H21 | C14 | C15 | H24 | 161.9° | 60.0° |
| H22 | C14 | C15 | C16 | 164.2° | 60.0° |
| H22 | C14 | C15 | H23 | 75.1° | 60.0° |
| H22 | C14 | C15 | H24 | 43.5° | 180.0° |
| C16 | C15 | H23 | H24 | 117.9° | 120.0° |
| C15 | C16 | O6 | N4 | 173.3° | 180.0° |
| C15 | C16 | N4 | H25 | 173.9° | 0.0° |
| C15 | C16 | N4 | H26 | 6.1° | 180.0° |
| H23 | C15 | C16 | O6 | 65.4° | 120.0° |
| H23 | C15 | C16 | N4 | 107.0° | 60.0° |
| H24 | C15 | C16 | O6 | 175.9° | 120.0° |
| H24 | C15 | C16 | N4 | 11.6° | 60.0° |
| O6 | C16 | N4 | H25 | 0.0° | 180.0° |
| O6 | C16 | N4 | H26 | 180.0° | 0.1° |
| C16 | N4 | H25 | H26 | 180.0° | 180.0° |
| C17 | N5 | H27 | C13 | 180.0° | 180.0° |
| N5 | C17 | C18 | C21 | 127.3° | 120.0° |
| N5 | C17 | C18 | H28 | 117.2° | 120.0° |
| N5 | C17 | C21 | H28 | 116.7° | 120.0° |
| N5 | C17 | C18 | C19 | 74.6° | 63.9° |
| N5 | C17 | C18 | C20 | 158.6° | 176.0° |
| N5 | C17 | C18 | H29 | 37.8° | 56.1° |
| N5 | C17 | C21 | O7 | 137.4° | 12.5° |
| N5 | C17 | C21 | N6 | 33.3° | 167.5° |
| H27 | N5 | C17 | C18 | 9.4° | 95.0° |
| H27 | N5 | C17 | C21 | 116.9° | 25.0° |
| H27 | N5 | C17 | H28 | 126.3° | 145.0° |
| C18 | C17 | C21 | H28 | 115.1° | 120.0° |
| C17 | C18 | C19 | C20 | 130.6° | 120.1° |
| C17 | C18 | C19 | H29 | 112.2° | 120.0° |
| C17 | C18 | C20 | H29 | 120.6° | 120.0° |
| C17 | C18 | C19 | H30 | 180.0° | 60.1° |
| C17 | C18 | C19 | H31 | 60.0° | 180.0° |
| C17 | C18 | C19 | H32 | 60.0° | 60.0° |
| C17 | C18 | C20 | H33 | 180.0° | 66.9° |
| C17 | C18 | C20 | H34 | 60.0° | 173.0° |
| C17 | C18 | C20 | H35 | 60.0° | 53.1° |
| C18 | C17 | C21 | O7 | 94.4° | 107.5° |
| C18 | C17 | N5 | C13 | 170.6° | 84.9° |
| C18 | C17 | C21 | N6 | 94.9° | 72.5° |
| C21 | C17 | C18 | C19 | 158.1° | 176.1° |
| C21 | C17 | C18 | C20 | 31.2° | 56.1° |
| C21 | C17 | C18 | H29 | 89.5° | 63.9° |
| C17 | C21 | O7 | N6 | 170.4° | 180.0° |
| C17 | C21 | N6 | C22 | 179.7° | 174.4° |
| C17 | C21 | N6 | H36 | 0.3° | 5.5° |
| C21 | C17 | N5 | C13 | 63.1° | 155.0° |
| H28 | C17 | C18 | C19 | 42.6° | 56.1° |
| H28 | C17 | C18 | C20 | 84.2° | 64.0° |
| H28 | C17 | C18 | H29 | 155.0° | 176.0° |
| H28 | C17 | C21 | O7 | 20.7° | 132.5° |
| H28 | C17 | N5 | C13 | 53.7° | 35.0° |
| H28 | C17 | C21 | N6 | 150.0° | 47.5° |
| C19 | C18 | C20 | H29 | 117.2° | 119.9° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H32 | 120.0° | 120.0° |
| C18 | C19 | H31 | H32 | 120.0° | 120.0° |
| C19 | C18 | C20 | H33 | 57.7° | 173.1° |
| C19 | C18 | C20 | H34 | 62.3° | 53.0° |
| C19 | C18 | C20 | H35 | 177.7° | 66.9° |
| C20 | C18 | C19 | H30 | 49.4° | 60.0° |
| C20 | C18 | C19 | H31 | 169.4° | 59.9° |
| C20 | C18 | C19 | H32 | 70.6° | 179.9° |
| C18 | C20 | H33 | H34 | 120.0° | 120.1° |
| C18 | C20 | H33 | H35 | 120.0° | 120.0° |
| C18 | C20 | H34 | H35 | 120.0° | 120.0° |
| H29 | C18 | C19 | H30 | 67.8° | 180.0° |
| H29 | C18 | C19 | H31 | 52.2° | 60.0° |
| H29 | C18 | C19 | H32 | 172.2° | 60.0° |
| H29 | C18 | C20 | H33 | 59.4° | 53.1° |
| H29 | C18 | C20 | H34 | 179.4° | 66.9° |
| H29 | C18 | C20 | H35 | 60.6° | 173.1° |
| H30 | C19 | H31 | H32 | 120.0° | 120.0° |
| H33 | C20 | H34 | H35 | 120.0° | 120.0° |
| O7 | C21 | N6 | C22 | 9.6° | 5.6° |
| O7 | C21 | N6 | H36 | 170.4° | 174.5° |
| C22 | N6 | H36 | C21 | 180.0° | 179.9° |
| N6 | C22 | C23 | C27 | 124.3° | 120.1° |
| N6 | C22 | C23 | H37 | 117.3° | 119.9° |
| N6 | C22 | C27 | H37 | 119.3° | 120.0° |
| N6 | C22 | C23 | C24 | 174.8° | 47.2° |
| N6 | C22 | C23 | H38 | 54.6° | 72.7° |
| N6 | C22 | C23 | H39 | 65.0° | 167.3° |
| N6 | C22 | C27 | O8 | 149.0° | 2.0° |
| N6 | C22 | C27 | N7 | 29.6° | 177.9° |
| H36 | N6 | C22 | C23 | 16.0° | 91.0° |
| H36 | N6 | C22 | C27 | 109.8° | 29.1° |
| H36 | N6 | C22 | H37 | 131.9° | 149.1° |
| C23 | C22 | C27 | H37 | 118.3° | 120.0° |
| C22 | C23 | C24 | H38 | 120.2° | 120.0° |
| C22 | C23 | C24 | H39 | 120.2° | 120.0° |
| C22 | C23 | H38 | H39 | 119.3° | 120.0° |
| C22 | C23 | C24 | C25 | 108.5° | 168.1° |
| C22 | C23 | C24 | C26 | 140.1° | 71.9° |
| C22 | C23 | C24 | H40 | 15.4° | 48.1° |
| C23 | C22 | C27 | O8 | 88.5° | 122.1° |
| C23 | C22 | N6 | C21 | 164.0° | 89.1° |
| C23 | C22 | C27 | N7 | 92.9° | 57.9° |
| C27 | C22 | C23 | C24 | 50.5° | 72.8° |
| C27 | C22 | C23 | H38 | 69.7° | 167.2° |
| C27 | C22 | C23 | H39 | 170.7° | 47.2° |
| C22 | C27 | O8 | N7 | 178.6° | 179.9° |
| C22 | C27 | N7 | C28 | 176.2° | 179.9° |
| C22 | C27 | N7 | H47 | 3.8° | 0.0° |
| C27 | C22 | N6 | C21 | 70.2° | 150.8° |
| H37 | C22 | C23 | C24 | 67.9° | 167.2° |
| H37 | C22 | C23 | H38 | 171.9° | 47.2° |
| H37 | C22 | C23 | H39 | 52.3° | 72.8° |
| H37 | C22 | C27 | O8 | 29.7° | 117.9° |
| H37 | C22 | N6 | C21 | 48.0° | 30.8° |
| H37 | C22 | C27 | N7 | 148.9° | 62.1° |
| C24 | C23 | H38 | H39 | 119.4° | 120.0° |
| C23 | C24 | C25 | C26 | 117.0° | 120.0° |
| C23 | C24 | C25 | H40 | 124.2° | 120.1° |
| C23 | C24 | C26 | H40 | 124.6° | 120.0° |
| C23 | C24 | C25 | H41 | 180.0° | 60.0° |
| C23 | C24 | C25 | H42 | 60.0° | 180.0° |
| C23 | C24 | C25 | H43 | 60.0° | 60.0° |
| C23 | C24 | C26 | H44 | 180.0° | 178.2° |
| C23 | C24 | C26 | H45 | 60.0° | 58.2° |
| C23 | C24 | C26 | H46 | 60.0° | 61.8° |
| H38 | C23 | C24 | C25 | 11.7° | 48.1° |
| H38 | C23 | C24 | C26 | 99.7° | 168.1° |
| H38 | C23 | C24 | H40 | 135.6° | 71.9° |
| H39 | C23 | C24 | C25 | 131.3° | 71.9° |
| H39 | C23 | C24 | C26 | 19.9° | 48.1° |
| H39 | C23 | C24 | H40 | 104.8° | 168.1° |
| C25 | C24 | C26 | H40 | 118.2° | 119.9° |
| C24 | C25 | H41 | H42 | 120.0° | 120.0° |
| C24 | C25 | H41 | H43 | 120.0° | 120.0° |
| C24 | C25 | H42 | H43 | 120.0° | 120.0° |
| C25 | C24 | C26 | H44 | 62.8° | 58.1° |
| C25 | C24 | C26 | H45 | 57.2° | 61.8° |
| C25 | C24 | C26 | H46 | 177.2° | 178.1° |
| C26 | C24 | C25 | H41 | 63.0° | 60.0° |
| C26 | C24 | C25 | H42 | 176.9° | 59.9° |
| C26 | C24 | C25 | H43 | 57.0° | 180.0° |
| C24 | C26 | H44 | H45 | 120.0° | 119.9° |
| C24 | C26 | H44 | H46 | 120.0° | 120.0° |
| C24 | C26 | H45 | H46 | 120.0° | 120.0° |
| H40 | C24 | C25 | H41 | 55.8° | 180.0° |
| H40 | C24 | C25 | H42 | 64.3° | 60.0° |
| H40 | C24 | C25 | H43 | 175.8° | 60.1° |
| H40 | C24 | C26 | H44 | 55.4° | 61.8° |
| H40 | C24 | C26 | H45 | 175.4° | 178.3° |
| H40 | C24 | C26 | H46 | 64.6° | 58.2° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
| H44 | C26 | H45 | H46 | 120.0° | 120.0° |
| O8 | C27 | N7 | C28 | 2.3° | 0.0° |
| O8 | C27 | N7 | H47 | 177.7° | 179.9° |
| C28 | N7 | H47 | C27 | 180.0° | 179.9° |
| N7 | C28 | C29 | C30 | 122.7° | 120.0° |
| N7 | C28 | C29 | H48 | 120.0° | 120.0° |
| N7 | C28 | C30 | H48 | 119.2° | 120.0° |
| N7 | C28 | C29 | O9 | 147.9° | 0.0° |
| N7 | C28 | C30 | C31 | 166.0° | 65.0° |
| N7 | C28 | C30 | H49 | 73.2° | 175.0° |
| N7 | C28 | C30 | H50 | 45.2° | 55.0° |
| N7 | C28 | C29 | N9 | 35.2° | 180.0° |
| H47 | N7 | C28 | C29 | 112.5° | 24.9° |
| H47 | N7 | C28 | C30 | 9.7° | 95.0° |
| H47 | N7 | C28 | H48 | 128.0° | 144.9° |
| C29 | C28 | C30 | H48 | 117.6° | 120.0° |
| C28 | C29 | O9 | N9 | 176.9° | 180.0° |
| C29 | C28 | C30 | C31 | 70.7° | 175.0° |
| C29 | C28 | C30 | H49 | 50.1° | 55.1° |
| C29 | C28 | C30 | H50 | 168.5° | 65.0° |
| C28 | C29 | N9 | C33 | 179.0° | 180.0° |
| C28 | C29 | N9 | H55 | 1.0° | 0.0° |
| C29 | C28 | N7 | C27 | 67.4° | 155.0° |
| C30 | C28 | C29 | O9 | 89.4° | 119.9° |
| C28 | C30 | C31 | H49 | 120.8° | 120.0° |
| C28 | C30 | C31 | H50 | 120.8° | 120.1° |
| C28 | C30 | H49 | H50 | 117.6° | 120.1° |
| C28 | C30 | C31 | C32 | 168.7° | 180.0° |
| C28 | C30 | C31 | H51 | 70.6° | 60.0° |
| C28 | C30 | C31 | H52 | 47.9° | 60.0° |
| C30 | C28 | N7 | C27 | 170.3° | 85.1° |
| C30 | C28 | C29 | N9 | 87.5° | 60.0° |
| H48 | C28 | C29 | O9 | 27.9° | 120.0° |
| H48 | C28 | C30 | C31 | 46.8° | 55.0° |
| H48 | C28 | C30 | H49 | 167.6° | 64.9° |
| H48 | C28 | C30 | H50 | 73.9° | 175.0° |
| H48 | C28 | N7 | C27 | 52.0° | 35.0° |
| H48 | C28 | C29 | N9 | 155.2° | 60.0° |
| O9 | C29 | N9 | C33 | 4.0° | 0.0° |
| O9 | C29 | N9 | H55 | 176.0° | 180.0° |
| C31 | C30 | H49 | H50 | 117.6° | 120.0° |
| C30 | C31 | C32 | H51 | 120.7° | 120.0° |
| C30 | C31 | C32 | H52 | 120.7° | 120.0° |
| C30 | C31 | H51 | H52 | 117.7° | 120.0° |
| C30 | C31 | C32 | O10 | 113.0° | 0.0° |
| C30 | C31 | C32 | N8 | 70.2° | 180.0° |
| H49 | C30 | C31 | C32 | 47.9° | 60.0° |
| H49 | C30 | C31 | H51 | 168.6° | 180.0° |
| H49 | C30 | C31 | H52 | 72.9° | 60.0° |
| H50 | C30 | C31 | C32 | 70.6° | 59.9° |
| H50 | C30 | C31 | H51 | 50.2° | 60.1° |
| H50 | C30 | C31 | H52 | 168.7° | 180.0° |
| C32 | C31 | H51 | H52 | 117.7° | 120.0° |
| C31 | C32 | O10 | N8 | 176.7° | 180.0° |
| C31 | C32 | N8 | H53 | 177.1° | 0.0° |
| C31 | C32 | N8 | H54 | 2.9° | 180.0° |
| H51 | C31 | C32 | O10 | 126.3° | 120.0° |
| H51 | C31 | C32 | N8 | 50.5° | 60.0° |
| H52 | C31 | C32 | O10 | 7.8° | 120.0° |
| H52 | C31 | C32 | N8 | 169.0° | 60.0° |
| O10 | C32 | N8 | H53 | 0.0° | 180.0° |
| O10 | C32 | N8 | H54 | 180.0° | 0.0° |
| C32 | N8 | H53 | H54 | 180.0° | 180.0° |
| C33 | N9 | H55 | C29 | 180.0° | 180.0° |
| N9 | C33 | C34 | C37 | 119.7° | 120.0° |
| N9 | C33 | C34 | H56 | 119.9° | 120.0° |
| N9 | C33 | C37 | H56 | 120.2° | 120.0° |
| N9 | C33 | C34 | C35 | 69.8° | 55.0° |
| N9 | C33 | C34 | C36 | 166.3° | 65.0° |
| N9 | C33 | C34 | H57 | 50.6° | 175.0° |
| N9 | C33 | C37 | O11 | 137.3° | 0.0° |
| N9 | C33 | C37 | N10 | 42.1° | 180.0° |
| H55 | N9 | C33 | C34 | 14.5° | 95.0° |
| H55 | N9 | C33 | C37 | 107.6° | 25.0° |
| H55 | N9 | C33 | H56 | 133.1° | 145.0° |
| C34 | C33 | C37 | H56 | 120.2° | 120.0° |
| C33 | C34 | C35 | C36 | 125.4° | 120.0° |
| C33 | C34 | C35 | H57 | 120.0° | 119.9° |
| C33 | C34 | C36 | H57 | 115.7° | 120.0° |
| C33 | C34 | C35 | H58 | 180.0° | 60.0° |
| C33 | C34 | C35 | H59 | 60.0° | 180.0° |
| C33 | C34 | C35 | H60 | 60.0° | 60.0° |
| C33 | C34 | C36 | H61 | 180.0° | 60.0° |
| C33 | C34 | C36 | H62 | 60.0° | 60.0° |
| C33 | C34 | C36 | H63 | 60.0° | 180.0° |
| C34 | C33 | C37 | O11 | 103.1° | 120.0° |
| C34 | C33 | N9 | C29 | 165.5° | 85.0° |
| C34 | C33 | C37 | N10 | 77.5° | 60.0° |
| C37 | C33 | C34 | C35 | 170.5° | 65.0° |
| C37 | C33 | C34 | C36 | 46.6° | 175.0° |
| C37 | C33 | C34 | H57 | 69.1° | 55.0° |
| C33 | C37 | O11 | N10 | 179.4° | 180.0° |
| C33 | C37 | N10 | C38 | 179.0° | 180.0° |
| C33 | C37 | N10 | H64 | 1.0° | 0.0° |
| C37 | C33 | N9 | C29 | 72.4° | 155.0° |
| H56 | C33 | C34 | C35 | 50.0° | 175.0° |
| H56 | C33 | C34 | C36 | 73.8° | 55.0° |
| H56 | C33 | C34 | H57 | 170.5° | 65.0° |
| H56 | C33 | C37 | O11 | 17.1° | 120.0° |
| H56 | C33 | N9 | C29 | 46.9° | 34.9° |
| H56 | C33 | C37 | N10 | 162.3° | 60.0° |
| C35 | C34 | C36 | H57 | 115.2° | 120.0° |
| C34 | C35 | H58 | H59 | 120.0° | 120.0° |
| C34 | C35 | H58 | H60 | 120.0° | 120.0° |
| C34 | C35 | H59 | H60 | 120.0° | 120.0° |
| C35 | C34 | C36 | H61 | 50.8° | 60.0° |
| C35 | C34 | C36 | H62 | 69.1° | 180.0° |
| C35 | C34 | C36 | H63 | 170.9° | 60.0° |
| C36 | C34 | C35 | H58 | 54.6° | 60.0° |
| C36 | C34 | C35 | H59 | 174.7° | 60.0° |
| C36 | C34 | C35 | H60 | 65.4° | 179.9° |
| C34 | C36 | H61 | H62 | 120.0° | 120.0° |
| C34 | C36 | H61 | H63 | 120.0° | 120.0° |
| C34 | C36 | H62 | H63 | 120.0° | 120.0° |
| H57 | C34 | C35 | H58 | 60.0° | 179.9° |
| H57 | C34 | C35 | H59 | 60.0° | 60.0° |
| H57 | C34 | C35 | H60 | 180.0° | 59.9° |
| H57 | C34 | C36 | H61 | 64.3° | 179.9° |
| H57 | C34 | C36 | H62 | 175.7° | 60.0° |
| H57 | C34 | C36 | H63 | 55.7° | 60.0° |
| H58 | C35 | H59 | H60 | 120.0° | 119.9° |
| H61 | C36 | H62 | H63 | 120.0° | 120.0° |
| O11 | C37 | N10 | C38 | 1.6° | 0.0° |
| O11 | C37 | N10 | H64 | 178.3° | 179.9° |
| C38 | N10 | H64 | C37 | 180.0° | 180.0° |
| N10 | C38 | C39 | C43 | 116.1° | 120.0° |
| N10 | C38 | C39 | H65 | 122.7° | 120.0° |
| N10 | C38 | C43 | H65 | 120.4° | 120.0° |
| N10 | C38 | C39 | C40 | 75.8° | 65.0° |
| N10 | C38 | C39 | H66 | 164.1° | 175.0° |
| N10 | C38 | C39 | H67 | 44.4° | 55.0° |
| N10 | C38 | C43 | O12 | 138.9° | 0.0° |
| N10 | C38 | C43 | N11 | 35.9° | 180.0° |
| H64 | N10 | C38 | C39 | 7.3° | 94.9° |
| H64 | N10 | C38 | C43 | 111.3° | 25.0° |
| H64 | N10 | C38 | H65 | 129.1° | 145.1° |
| C39 | C38 | C43 | H65 | 121.0° | 120.0° |
| C38 | C39 | C40 | H66 | 120.2° | 120.1° |
| C38 | C39 | C40 | H67 | 120.2° | 120.1° |
| C38 | C39 | H66 | H67 | 119.5° | 120.1° |
| C38 | C39 | C40 | C41 | 81.4° | 64.9° |
| C38 | C39 | C40 | C42 | 162.4° | 175.0° |
| C38 | C39 | C40 | H68 | 40.8° | 55.0° |
| C39 | C38 | C43 | O12 | 102.4° | 120.0° |
| C39 | C38 | N10 | C37 | 172.7° | 85.0° |
| C39 | C38 | C43 | N11 | 82.7° | 60.0° |
| C43 | C38 | C39 | C40 | 168.1° | 175.0° |
| C43 | C38 | C39 | H66 | 47.9° | 55.0° |
| C43 | C38 | C39 | H67 | 71.7° | 65.0° |
| C38 | C43 | O12 | N11 | 174.9° | 180.0° |
| C38 | C43 | N11 | C44 | 163.9° | 180.0° |
| C38 | C43 | N11 | H75 | 16.1° | 0.0° |
| C43 | C38 | N10 | C37 | 68.6° | 155.0° |
| H65 | C38 | C39 | C40 | 46.9° | 55.0° |
| H65 | C38 | C39 | H66 | 73.2° | 65.0° |
| H65 | C38 | C39 | H67 | 167.1° | 175.0° |
| H65 | C38 | C43 | O12 | 18.6° | 120.0° |
| H65 | C38 | N10 | C37 | 51.0° | 35.0° |
| H65 | C38 | C43 | N11 | 156.3° | 60.0° |
| C40 | C39 | H66 | H67 | 119.4° | 119.9° |
| C39 | C40 | C41 | C42 | 117.9° | 120.1° |
| C39 | C40 | C41 | H68 | 122.8° | 120.0° |
| C39 | C40 | C42 | H68 | 121.7° | 120.0° |
| C39 | C40 | C41 | H69 | 180.0° | 180.0° |
| C39 | C40 | C41 | H70 | 60.0° | 59.9° |
| C39 | C40 | C41 | H71 | 60.0° | 60.0° |
| C39 | C40 | C42 | H72 | 180.0° | 60.0° |
| C39 | C40 | C42 | H73 | 60.0° | 180.0° |
| C39 | C40 | C42 | H74 | 60.0° | 60.0° |
| H66 | C39 | C40 | C41 | 38.8° | 55.1° |
| H66 | C39 | C40 | C42 | 77.4° | 64.9° |
| H66 | C39 | C40 | H68 | 161.0° | 175.0° |
| H67 | C39 | C40 | C41 | 158.4° | 175.0° |
| H67 | C39 | C40 | C42 | 42.2° | 55.0° |
| H67 | C39 | C40 | H68 | 79.3° | 65.1° |
| C41 | C40 | C42 | H68 | 118.7° | 119.9° |
| C40 | C41 | H69 | H70 | 120.0° | 120.1° |
| C40 | C41 | H69 | H71 | 120.0° | 119.9° |
| C40 | C41 | H70 | H71 | 120.0° | 120.0° |
| C41 | C40 | C42 | H72 | 60.5° | 180.0° |
| C41 | C40 | C42 | H73 | 59.5° | 60.0° |
| C41 | C40 | C42 | H74 | 179.5° | 60.1° |
| C42 | C40 | C41 | H69 | 62.1° | 59.9° |
| C42 | C40 | C41 | H70 | 177.9° | 180.0° |
| C42 | C40 | C41 | H71 | 57.9° | 60.0° |
| C40 | C42 | H72 | H73 | 120.0° | 120.0° |
| C40 | C42 | H72 | H74 | 120.0° | 120.0° |
| C40 | C42 | H73 | H74 | 120.0° | 120.0° |
| H68 | C40 | C41 | H69 | 57.2° | 60.0° |
| H68 | C40 | C41 | H70 | 62.8° | 60.0° |
| H68 | C40 | C41 | H71 | 177.2° | 180.0° |
| H68 | C40 | C42 | H72 | 58.3° | 60.0° |
| H68 | C40 | C42 | H73 | 178.2° | 60.0° |
| H68 | C40 | C42 | H74 | 61.7° | 180.0° |
| H69 | C41 | H70 | H71 | 120.0° | 119.9° |
| H72 | C42 | H73 | H74 | 119.9° | 120.0° |
| O12 | C43 | N11 | C44 | 10.7° | 0.1° |
| O12 | C43 | N11 | H75 | 169.3° | 180.0° |
| C44 | N11 | H75 | C43 | 180.0° | 180.0° |
| N11 | C44 | C45 | C46 | 122.4° | 120.0° |
| N11 | C44 | C45 | H76 | 120.1° | 119.9° |
| N11 | C44 | C46 | H76 | 117.8° | 120.0° |
| N11 | C44 | C45 | O13 | 133.7° | 5.1° |
| N11 | C44 | C46 | C47 | 176.1° | 58.7° |
| N11 | C44 | C46 | H77 | 63.5° | 178.6° |
| N11 | C44 | C46 | H78 | 55.7° | 61.3° |
| N11 | C44 | C45 | N13 | 46.2° | 175.0° |
| H75 | N11 | C44 | C45 | 122.8° | 25.0° |
| H75 | N11 | C44 | C46 | 1.6° | 95.0° |
| H75 | N11 | C44 | H76 | 118.2° | 145.0° |
| C45 | C44 | C46 | H76 | 117.4° | 120.0° |
| C44 | C45 | O13 | N13 | 179.9° | 179.9° |
| C45 | C44 | C46 | C47 | 59.1° | 178.7° |
| C45 | C44 | C46 | H77 | 61.3° | 61.4° |
| C45 | C44 | C46 | H78 | 179.6° | 58.6° |
| C44 | C45 | N13 | C49 | 175.2° | 173.9° |
| C44 | C45 | N13 | H83 | 4.7° | 6.1° |
| C45 | C44 | N11 | C43 | 57.2° | 155.0° |
| C46 | C44 | C45 | O13 | 103.9° | 114.9° |
| C44 | C46 | C47 | H77 | 120.4° | 120.0° |
| C44 | C46 | C47 | H78 | 120.4° | 120.0° |
| C44 | C46 | H77 | H78 | 118.7° | 120.1° |
| C44 | C46 | C47 | C48 | 169.5° | 180.0° |
| C44 | C46 | C47 | H79 | 49.4° | 60.0° |
| C44 | C46 | C47 | H80 | 70.4° | 59.9° |
| C46 | C44 | N11 | C43 | 178.4° | 85.0° |
| C46 | C44 | C45 | N13 | 76.2° | 65.0° |
| H76 | C44 | C45 | O13 | 13.6° | 125.0° |
| H76 | C44 | C46 | C47 | 58.2° | 61.3° |
| H76 | C44 | C46 | H77 | 178.7° | 58.6° |
| H76 | C44 | C46 | H78 | 62.2° | 178.7° |
| H76 | C44 | N11 | C43 | 61.8° | 35.0° |
| H76 | C44 | C45 | N13 | 166.4° | 55.0° |
| O13 | C45 | N13 | C49 | 4.8° | 6.1° |
| O13 | C45 | N13 | H83 | 175.2° | 174.0° |
| C47 | C46 | H77 | H78 | 118.7° | 120.0° |
| C46 | C47 | C48 | H79 | 120.1° | 119.9° |
| C46 | C47 | C48 | H80 | 120.1° | 120.1° |
| C46 | C47 | H79 | H80 | 119.7° | 120.0° |
| C46 | C47 | C48 | O14 | 11.8° | 0.0° |
| C46 | C47 | C48 | N12 | 156.4° | 179.9° |
| H77 | C46 | C47 | C48 | 70.1° | 60.0° |
| H77 | C46 | C47 | H79 | 169.8° | 180.0° |
| H77 | C46 | C47 | H80 | 50.0° | 60.0° |
| H78 | C46 | C47 | C48 | 49.1° | 60.0° |
| H78 | C46 | C47 | H79 | 71.0° | 60.0° |
| H78 | C46 | C47 | H80 | 169.2° | 180.0° |
| C48 | C47 | H79 | H80 | 119.8° | 120.0° |
| C47 | C48 | O14 | N12 | 168.6° | 180.0° |
| C47 | C48 | N12 | H81 | 168.9° | 0.1° |
| C47 | C48 | N12 | H82 | 11.1° | 179.9° |
| H79 | C47 | C48 | O14 | 108.3° | 120.0° |
| H79 | C47 | C48 | N12 | 83.5° | 60.0° |
| H80 | C47 | C48 | O14 | 131.9° | 120.0° |
| H80 | C47 | C48 | N12 | 36.3° | 60.0° |
| O14 | C48 | N12 | H81 | 0.0° | 180.0° |
| O14 | C48 | N12 | H82 | 180.0° | 0.1° |
| C48 | N12 | H81 | H82 | 180.0° | 179.9° |
| C49 | N13 | H83 | C45 | 180.0° | 180.0° |
| N13 | C49 | C50 | C51 | 128.6° | 120.1° |
| N13 | C49 | C50 | H84 | 117.5° | 119.9° |
| N13 | C49 | C51 | H84 | 115.0° | 119.8° |
| N13 | C49 | C50 | O15 | 111.2° | 24.5° |
| N13 | C49 | C51 | O16 | 175.1° | 22.8° |
| N13 | C49 | C51 | H85 | 55.0° | 97.2° |
| N13 | C49 | C51 | H86 | 64.8° | 142.7° |
| N13 | C49 | C50 | N14 | 67.9° | 155.6° |
| H83 | N13 | C49 | C50 | 121.7° | 29.4° |
| H83 | N13 | C49 | C51 | 7.5° | 91.1° |
| H83 | N13 | C49 | H84 | 121.5° | 149.2° |
| C50 | C49 | C51 | H84 | 114.1° | 120.1° |
| C49 | C50 | O15 | N14 | 179.0° | 180.0° |
| C50 | C49 | C51 | O16 | 44.2° | 97.3° |
| C50 | C49 | C51 | H85 | 75.8° | 142.6° |
| C50 | C49 | C51 | H86 | 164.3° | 22.6° |
| C49 | C50 | N14 | C52 | 174.0° | 177.5° |
| C49 | C50 | N14 | H87 | 6.0° | 2.6° |
| C50 | C49 | N13 | C45 | 58.3° | 150.6° |
| C51 | C49 | C50 | O15 | 120.2° | 95.6° |
| C49 | C51 | O16 | H85 | 120.1° | 120.0° |
| C49 | C51 | O16 | H86 | 120.1° | 119.9° |
| C49 | C51 | H85 | H86 | 119.8° | 120.0° |
| C51 | C49 | N13 | C45 | 172.5° | 89.0° |
| C51 | C49 | C50 | N14 | 60.7° | 84.3° |
| C49 | C51 | O16 | C67 | 85.4° | 76.0° |
| H84 | C49 | C50 | O15 | 6.3° | 144.4° |
| H84 | C49 | C51 | O16 | 69.9° | 142.6° |
| H84 | C49 | C51 | H85 | 170.1° | 22.6° |
| H84 | C49 | C51 | H86 | 50.2° | 97.5° |
| H84 | C49 | N13 | C45 | 58.5° | 30.7° |
| H84 | C49 | C50 | N14 | 174.6° | 35.7° |
| O15 | C50 | N14 | C52 | 7.0° | 2.5° |
| O15 | C50 | N14 | H87 | 173.0° | 177.4° |
| O16 | C51 | H85 | H86 | 119.9° | 120.0° |
| C51 | O16 | C67 | C66 | 165.7° | 179.4° |
| C51 | O16 | C67 | O21 | 0.9° | 0.6° |
| H85 | C51 | O16 | C67 | 154.5° | 164.0° |
| H86 | C51 | O16 | C67 | 34.6° | 43.9° |
| C52 | N14 | H87 | C50 | 180.0° | 179.9° |
| N14 | C52 | C53 | C54 | 126.0° | 119.8° |
| N14 | C52 | C53 | H88 | 115.9° | 119.8° |
| N14 | C52 | C54 | H88 | 118.7° | 120.3° |
| N14 | C52 | C53 | O17 | 18.2° | 37.1° |
| N14 | C52 | C54 | C55 | 58.3° | 37.8° |
| N14 | C52 | C54 | C56 | 66.9° | 82.2° |
| N14 | C52 | C54 | H89 | 174.0° | 157.8° |
| N14 | C52 | C53 | N15 | 158.6° | 143.0° |
| H87 | N14 | C52 | C53 | 117.0° | 118.7° |
| H87 | N14 | C52 | C54 | 9.8° | 121.5° |
| H87 | N14 | C52 | H88 | 127.7° | 1.1° |
| C53 | C52 | C54 | H88 | 118.4° | 120.4° |
| C52 | C53 | O17 | N15 | 176.6° | 179.9° |
| C53 | C52 | C54 | C55 | 178.9° | 157.2° |
| C53 | C52 | C54 | C56 | 56.0° | 37.2° |
| C53 | C52 | C54 | H89 | 63.1° | 82.8° |
| C52 | C53 | N15 | C57 | 175.7° | 178.3° |
| C52 | C53 | N15 | H96 | 4.3° | 1.8° |
| C53 | C52 | N14 | C50 | 63.0° | 61.2° |
| C54 | C52 | C53 | O17 | 107.8° | 156.9° |
| C52 | C54 | C55 | C56 | 130.6° | 120.0° |
| C52 | C54 | C55 | H89 | 115.8° | 120.0° |
| C52 | C54 | C56 | H89 | 118.6° | 120.0° |
| C52 | C54 | C55 | H90 | 180.0° | 60.0° |
| C52 | C54 | C55 | H91 | 60.0° | 180.0° |
| C52 | C54 | C55 | H92 | 60.0° | 60.0° |
| C52 | C54 | C56 | H93 | 180.0° | 97.4° |
| C52 | C54 | C56 | H94 | 60.0° | 22.6° |
| C52 | C54 | C56 | H95 | 60.0° | 142.6° |
| C54 | C52 | N14 | C50 | 170.2° | 58.6° |
| C54 | C52 | C53 | N15 | 75.4° | 23.2° |
| H88 | C52 | C53 | O17 | 134.1° | 82.7° |
| H88 | C52 | C54 | C55 | 60.4° | 82.5° |
| H88 | C52 | C54 | C56 | 174.4° | 157.5° |
| H88 | C52 | C54 | H89 | 55.3° | 37.5° |
| H88 | C52 | N14 | C50 | 52.3° | 179.0° |
| H88 | C52 | C53 | N15 | 42.8° | 97.2° |
| O17 | C53 | N15 | C57 | 1.0° | 1.6° |
| O17 | C53 | N15 | H96 | 178.9° | 178.3° |
| C55 | C54 | C56 | H89 | 112.8° | 120.0° |
| C54 | C55 | H90 | H91 | 120.0° | 120.0° |
| C54 | C55 | H90 | H92 | 120.0° | 120.0° |
| C54 | C55 | H91 | H92 | 120.0° | 120.0° |
| C55 | C54 | C56 | H93 | 51.5° | 22.7° |
| C55 | C54 | C56 | H94 | 68.6° | 142.6° |
| C55 | C54 | C56 | H95 | 171.4° | 97.4° |
| C56 | C54 | C55 | H90 | 49.4° | 60.0° |
| C56 | C54 | C55 | H91 | 169.4° | 59.9° |
| C56 | C54 | C55 | H92 | 70.6° | 180.0° |
| C54 | C56 | H93 | H94 | 120.0° | 120.0° |
| C54 | C56 | H93 | H95 | 120.0° | 120.0° |
| C54 | C56 | H94 | H95 | 120.0° | 120.0° |
| H89 | C54 | C55 | H90 | 64.1° | 180.0° |
| H89 | C54 | C55 | H91 | 55.9° | 60.0° |
| H89 | C54 | C55 | H92 | 175.8° | 60.0° |
| H89 | C54 | C56 | H93 | 61.3° | 142.6° |
| H89 | C54 | C56 | H94 | 178.6° | 97.4° |
| H89 | C54 | C56 | H95 | 58.6° | 22.6° |
| H90 | C55 | H91 | H92 | 120.0° | 120.0° |
| H93 | C56 | H94 | H95 | 120.0° | 120.0° |
| C57 | N15 | H96 | C53 | 180.0° | 179.9° |
| N15 | C57 | C58 | C59 | 133.4° | 119.8° |
| N15 | C57 | C58 | H97 | 114.5° | 119.9° |
| N15 | C57 | C59 | H97 | 115.3° | 120.3° |
| N15 | C57 | C58 | O18 | 149.7° | 31.1° |
| N15 | C57 | C59 | C60 | 54.7° | 65.0° |
| N15 | C57 | C59 | H98 | 66.4° | 55.0° |
| N15 | C57 | C59 | H99 | 175.8° | 175.0° |
| N15 | C57 | C58 | N16 | 34.9° | 148.8° |
| H96 | N15 | C57 | C58 | 124.7° | 102.5° |
| H96 | N15 | C57 | C59 | 104.0° | 17.3° |
| H96 | N15 | C57 | H97 | 10.9° | 137.6° |
| C58 | C57 | C59 | H97 | 111.8° | 120.3° |
| C57 | C58 | O18 | N16 | 175.1° | 180.0° |
| C58 | C57 | C59 | C60 | 172.4° | 175.6° |
| C58 | C57 | C59 | H98 | 66.5° | 64.5° |
| C58 | C57 | C59 | H99 | 51.2° | 55.5° |
| C57 | C58 | N16 | C63 | 167.7° | 179.6° |
| C57 | C58 | N16 | H107 | 12.3° | 0.4° |
| C58 | C57 | N15 | C53 | 55.3° | 77.4° |
| C59 | C57 | C58 | O18 | 16.2° | 88.7° |
| C57 | C59 | C60 | H98 | 121.1° | 119.9° |
| C57 | C59 | C60 | H99 | 121.1° | 120.1° |
| C57 | C59 | H98 | H99 | 116.4° | 120.1° |
| C57 | C59 | C60 | C61 | 148.3° | 175.0° |
| C57 | C59 | C60 | C62 | 93.5° | 65.0° |
| C57 | C59 | C60 | H100 | 28.1° | 54.9° |
| C59 | C57 | N15 | C53 | 75.9° | 162.8° |
| C59 | C57 | C58 | N16 | 168.3° | 91.3° |
| H97 | C57 | C58 | O18 | 95.8° | 151.0° |
| H97 | C57 | C59 | C60 | 60.6° | 55.3° |
| H97 | C57 | C59 | H98 | 178.3° | 175.2° |
| H97 | C57 | C59 | H99 | 60.6° | 64.7° |
| H97 | C57 | N15 | C53 | 169.2° | 42.5° |
| H97 | C57 | C58 | N16 | 79.6° | 29.0° |
| O18 | C58 | N16 | C63 | 17.0° | 0.4° |
| O18 | C58 | N16 | H107 | 163.0° | 179.6° |
| C60 | C59 | H98 | H99 | 116.5° | 120.0° |
| C59 | C60 | C61 | C62 | 118.3° | 119.9° |
| C59 | C60 | C61 | H100 | 119.5° | 120.0° |
| C59 | C60 | C62 | H100 | 121.3° | 120.0° |
| C59 | C60 | C61 | H101 | 180.0° | 60.0° |
| C59 | C60 | C61 | H102 | 60.0° | 179.9° |
| C59 | C60 | C61 | H103 | 60.0° | 60.0° |
| C59 | C60 | C62 | H104 | 180.0° | 60.0° |
| C59 | C60 | C62 | H105 | 60.0° | 60.0° |
| C59 | C60 | C62 | H106 | 60.0° | 180.0° |
| H98 | C59 | C60 | C61 | 27.2° | 55.0° |
| H98 | C59 | C60 | C62 | 145.4° | 175.0° |
| H98 | C59 | C60 | H100 | 93.0° | 65.0° |
| H99 | C59 | C60 | C61 | 90.6° | 64.9° |
| H99 | C59 | C60 | C62 | 27.6° | 55.0° |
| H99 | C59 | C60 | H100 | 149.2° | 175.0° |
| C61 | C60 | C62 | H100 | 122.5° | 120.0° |
| C60 | C61 | H101 | H102 | 120.0° | 119.9° |
| C60 | C61 | H101 | H103 | 120.0° | 120.0° |
| C60 | C61 | H102 | H103 | 120.0° | 120.1° |
| C61 | C60 | C62 | H104 | 63.8° | 59.9° |
| C61 | C60 | C62 | H105 | 56.2° | 180.0° |
| C61 | C60 | C62 | H106 | 176.1° | 60.0° |
| C62 | C60 | C61 | H101 | 61.8° | 59.9° |
| C62 | C60 | C61 | H102 | 178.3° | 59.9° |
| C62 | C60 | C61 | H103 | 58.3° | 180.0° |
| C60 | C62 | H104 | H105 | 120.0° | 120.1° |
| C60 | C62 | H104 | H106 | 120.0° | 120.0° |
| C60 | C62 | H105 | H106 | 120.0° | 120.0° |
| H100 | C60 | C61 | H101 | 60.5° | 179.9° |
| H100 | C60 | C61 | H102 | 59.5° | 60.1° |
| H100 | C60 | C61 | H103 | 179.5° | 60.0° |
| H100 | C60 | C62 | H104 | 58.7° | 180.0° |
| H100 | C60 | C62 | H105 | 178.7° | 60.0° |
| H100 | C60 | C62 | H106 | 61.3° | 60.0° |
| H101 | C61 | H102 | H103 | 120.0° | 120.0° |
| H104 | C62 | H105 | H106 | 120.0° | 119.9° |
| C63 | N16 | H107 | C58 | 180.0° | 180.0° |
| N16 | C63 | C64 | C65 | 130.9° | 119.7° |
| N16 | C63 | C64 | H108 | 114.7° | 119.6° |
| N16 | C63 | C65 | H108 | 112.6° | 120.7° |
| N16 | C63 | C64 | O19 | 149.7° | 43.2° |
| N16 | C63 | C65 | O20 | 53.5° | 55.3° |
| N16 | C63 | C65 | H109 | 66.5° | 64.6° |
| N16 | C63 | C65 | H110 | 173.6° | 175.3° |
| N16 | C63 | C64 | N17 | 31.0° | 136.7° |
| H107 | N16 | C63 | C64 | 128.9° | 106.1° |
| H107 | N16 | C63 | C65 | 98.2° | 134.2° |
| H107 | N16 | C63 | H108 | 14.4° | 13.5° |
| C64 | C63 | C65 | H108 | 114.2° | 120.7° |
| C63 | C64 | O19 | N17 | 179.3° | 179.9° |
| C64 | C63 | C65 | O20 | 173.3° | 174.0° |
| C64 | C63 | C65 | H109 | 66.6° | 54.0° |
| C64 | C63 | C65 | H110 | 53.3° | 66.0° |
| C63 | C64 | N17 | C66 | 179.7° | 176.6° |
| C63 | C64 | N17 | H112 | 0.3° | 3.5° |
| C64 | C63 | N16 | C58 | 51.1° | 73.8° |
| C65 | C63 | C64 | O19 | 18.8° | 162.9° |
| C63 | C65 | O20 | H109 | 120.1° | 120.0° |
| C63 | C65 | O20 | H110 | 120.0° | 120.0° |
| C63 | C65 | H109 | H110 | 119.8° | 120.0° |
| C63 | C65 | O20 | H111 | 180.0° | 180.0° |
| C65 | C63 | N16 | C58 | 81.8° | 45.9° |
| C65 | C63 | C64 | N17 | 161.9° | 17.0° |
| H108 | C63 | C64 | O19 | 95.6° | 76.4° |
| H108 | C63 | C65 | O20 | 59.1° | 65.3° |
| H108 | C63 | C65 | H109 | 179.2° | 174.7° |
| H108 | C63 | C65 | H110 | 61.0° | 54.6° |
| H108 | C63 | N16 | C58 | 165.6° | 166.5° |
| H108 | C63 | C64 | N17 | 83.7° | 103.7° |
| O19 | C64 | N17 | C66 | 0.9° | 3.3° |
| O19 | C64 | N17 | H112 | 179.1° | 176.6° |
| O20 | C65 | H109 | H110 | 119.8° | 120.0° |
| H109 | C65 | O20 | H111 | 59.9° | 60.0° |
| H110 | C65 | O20 | H111 | 60.0° | 60.0° |
| C66 | N17 | H112 | C64 | 180.0° | 180.0° |
| N17 | C66 | C67 | C68 | 125.5° | 119.7° |
| N17 | C66 | C67 | H113 | 116.3° | 119.7° |
| N17 | C66 | C68 | H113 | 117.9° | 120.7° |
| N17 | C66 | C67 | O21 | 100.5° | 2.0° |
| N17 | C66 | C68 | C69 | 54.0° | 175.9° |
| N17 | C66 | C68 | C70 | 178.6° | 55.9° |
| N17 | C66 | C68 | H114 | 63.2° | 64.1° |
| N17 | C66 | C67 | O16 | 66.5° | 177.9° |
| H112 | N17 | C66 | C67 | 55.6° | 130.8° |
| H112 | N17 | C66 | C68 | 70.4° | 11.2° |
| H112 | N17 | C66 | H113 | 172.0° | 109.5° |
| C67 | C66 | C68 | H113 | 118.5° | 120.6° |
| C66 | C67 | O21 | O16 | 165.8° | 180.0° |
| C67 | C66 | C68 | C69 | 177.6° | 57.2° |
| C67 | C66 | C68 | C70 | 57.8° | 62.8° |
| C67 | C66 | C68 | H114 | 60.4° | 177.2° |
| C67 | C66 | N17 | C64 | 124.4° | 49.2° |
| C68 | C66 | C67 | O21 | 134.0° | 121.7° |
| C66 | C68 | C69 | C70 | 128.4° | 120.0° |
| C66 | C68 | C69 | H114 | 117.2° | 120.0° |
| C66 | C68 | C70 | H114 | 118.3° | 120.0° |
| C66 | C68 | C69 | C71 | 153.7° | 160.6° |
| C66 | C68 | C69 | H115 | 84.9° | 79.4° |
| C66 | C68 | C69 | H116 | 32.2° | 40.7° |
| C66 | C68 | C70 | H117 | 180.0° | 177.1° |
| C66 | C68 | C70 | H118 | 60.0° | 57.0° |
| C66 | C68 | C70 | H119 | 60.0° | 62.9° |
| C68 | C66 | C67 | O16 | 59.0° | 58.3° |
| C68 | C66 | N17 | C64 | 109.6° | 168.9° |
| H113 | C66 | C67 | O21 | 15.8° | 117.7° |
| H113 | C66 | C68 | C69 | 63.9° | 63.4° |
| H113 | C66 | C68 | C70 | 60.7° | 176.6° |
| H113 | C66 | C68 | H114 | 178.9° | 56.6° |
| H113 | C66 | C67 | O16 | 177.2° | 62.3° |
| H113 | C66 | N17 | C64 | 8.0° | 70.5° |
| C69 | C68 | C70 | H114 | 114.6° | 120.0° |
| C68 | C69 | C71 | H115 | 121.4° | 120.0° |
| C68 | C69 | C71 | H116 | 121.5° | 120.0° |
| C68 | C69 | H115 | H116 | 115.4° | 120.1° |
| C69 | C68 | C70 | H117 | 52.9° | 63.0° |
| C69 | C68 | C70 | H118 | 172.8° | 177.0° |
| C69 | C68 | C70 | H119 | 67.1° | 57.1° |
| C68 | C69 | C71 | H120 | 180.0° | 69.0° |
| C68 | C69 | C71 | H121 | 60.0° | 51.0° |
| C68 | C69 | C71 | H122 | 60.0° | 171.0° |
| C70 | C68 | C69 | C71 | 78.0° | 79.4° |
| C70 | C68 | C69 | H115 | 43.5° | 40.6° |
| C70 | C68 | C69 | H116 | 160.6° | 160.6° |
| C68 | C70 | H117 | H118 | 120.0° | 120.0° |
| C68 | C70 | H117 | H119 | 120.0° | 120.0° |
| C68 | C70 | H118 | H119 | 120.0° | 119.9° |
| H114 | C68 | C69 | C71 | 36.5° | 40.6° |
| H114 | C68 | C69 | H115 | 157.9° | 160.6° |
| H114 | C68 | C69 | H116 | 85.0° | 79.4° |
| H114 | C68 | C70 | H117 | 61.7° | 57.1° |
| H114 | C68 | C70 | H118 | 58.2° | 63.0° |
| H114 | C68 | C70 | H119 | 178.3° | 177.1° |
| C71 | C69 | H115 | H116 | 115.3° | 120.0° |
| C69 | C71 | H120 | H121 | 120.0° | 120.0° |
| C69 | C71 | H120 | H122 | 120.0° | 120.0° |
| C69 | C71 | H121 | H122 | 120.0° | 120.0° |
| H115 | C69 | C71 | H120 | 58.6° | 171.0° |
| H115 | C69 | C71 | H121 | 178.6° | 69.0° |
| H115 | C69 | C71 | H122 | 61.4° | 51.0° |
| H116 | C69 | C71 | H120 | 58.5° | 51.0° |
| H116 | C69 | C71 | H121 | 61.5° | 171.1° |
| H116 | C69 | C71 | H122 | 178.6° | 69.0° |
| H117 | C70 | H118 | H119 | 120.0° | 120.0° |
| H120 | C71 | H121 | H122 | 120.0° | 120.0° |
| O23 | C74 | C72 | C73 | 178.1° | 65.0° |
| O23 | C74 | C72 | C75 | 112.2° | 120.0° |
| O23 | C74 | C72 | H125 | 121.4° | 120.1° |
| O23 | C74 | C75 | H125 | 126.8° | 120.1° |
| O23 | C74 | C75 | C76 | 78.4° | 65.0° |
| O23 | C74 | C72 | H123 | 57.7° | 175.0° |
| O23 | C74 | C72 | H124 | 61.6° | 55.0° |
| O23 | C74 | C75 | H126 | 160.7° | 175.0° |
| O23 | C74 | C75 | H127 | 42.4° | 55.0° |
| C72 | C73 | O22 | N1 | 157.0° | 180.0° |
| C73 | C72 | C74 | H123 | 120.3° | 120.1° |
| C73 | C72 | C74 | H124 | 120.3° | 120.0° |
| C73 | C72 | C74 | C75 | 65.9° | 175.0° |
| C73 | C72 | H123 | H124 | 119.0° | 120.0° |
| C73 | C72 | C74 | H125 | 60.5° | 55.1° |
| O22 | C73 | C72 | C74 | 34.3° | 0.0° |
| O22 | C73 | C72 | H123 | 154.7° | 120.0° |
| O22 | C73 | C72 | H124 | 86.0° | 120.0° |
| C72 | C74 | C75 | H125 | 126.1° | 119.9° |
| C72 | C74 | C75 | C76 | 174.4° | 174.9° |
| C74 | C72 | H123 | H124 | 119.0° | 120.0° |
| C72 | C74 | C75 | H126 | 53.6° | 55.0° |
| C72 | C74 | C75 | H127 | 64.8° | 65.0° |
| C72 | C74 | O23 | H128 | 180.0° | 60.0° |
| C74 | C72 | C73 | N1 | 168.4° | 180.0° |
| C74 | C75 | C76 | H126 | 120.8° | 120.0° |
| C74 | C75 | C76 | H127 | 120.8° | 120.0° |
| C74 | C75 | C76 | C77 | 161.2° | 179.9° |
| C75 | C74 | C72 | H123 | 54.5° | 54.9° |
| C75 | C74 | C72 | H124 | 173.8° | 65.0° |
| C74 | C75 | H126 | H127 | 117.5° | 120.0° |
| C75 | C74 | O23 | H128 | 65.7° | 60.0° |
| C74 | C75 | C76 | H129 | 77.6° | 60.0° |
| C74 | C75 | C76 | H130 | 40.0° | 60.0° |
| C75 | C76 | C77 | H129 | 121.2° | 119.9° |
| C75 | C76 | C77 | H130 | 121.2° | 120.1° |
| C75 | C76 | C77 | C78 | 64.4° | 180.0° |
| C76 | C75 | C74 | H125 | 48.3° | 55.0° |
| C76 | C75 | H126 | H127 | 117.4° | 120.0° |
| C75 | C76 | H129 | H130 | 116.1° | 120.0° |
| C75 | C76 | C77 | H131 | 173.9° | 60.1° |
| C75 | C76 | C77 | H132 | 57.3° | 59.9° |
| C76 | C77 | C78 | H131 | 121.7° | 119.9° |
| C76 | C77 | C78 | H132 | 121.7° | 120.1° |
| C76 | C77 | C78 | C79 | 73.0° | 179.9° |
| C77 | C76 | C75 | H126 | 40.4° | 60.0° |
| C77 | C76 | C75 | H127 | 77.9° | 59.9° |
| C77 | C76 | H129 | H130 | 116.1° | 120.0° |
| C76 | C77 | H131 | H132 | 114.5° | 120.0° |
| C76 | C77 | C78 | H133 | 165.8° | 60.0° |
| C76 | C77 | C78 | H134 | 48.2° | 59.9° |
| C77 | C78 | C79 | H133 | 121.2° | 120.0° |
| C77 | C78 | C79 | H134 | 121.2° | 120.0° |
| C77 | C78 | C79 | C81 | 165.2° | 179.9° |
| C78 | C77 | C76 | H129 | 56.8° | 60.1° |
| C78 | C77 | C76 | H130 | 174.4° | 59.9° |
| C78 | C77 | H131 | H132 | 114.5° | 120.0° |
| C77 | C78 | H133 | H134 | 116.1° | 120.0° |
| C77 | C78 | C79 | H135 | 73.4° | 60.0° |
| C77 | C78 | C79 | H136 | 43.8° | 60.0° |
| C78 | C79 | C81 | H135 | 121.4° | 120.0° |
| C78 | C79 | C81 | H136 | 121.4° | 119.9° |
| C78 | C79 | C81 | C80 | 53.0° | NaN° |
| C79 | C78 | C77 | H131 | 48.7° | 60.0° |
| C79 | C78 | C77 | H132 | 165.3° | 60.0° |
| C79 | C78 | H133 | H134 | 116.1° | 120.0° |
| C78 | C79 | H135 | H136 | 115.6° | 120.0° |
| C78 | C79 | C81 | H140 | 173.7° | 60.0° |
| C78 | C79 | C81 | H141 | 67.8° | 60.0° |
| C79 | C81 | C80 | H140 | 120.7° | 120.0° |
| C79 | C81 | C80 | H141 | 120.8° | 119.9° |
| C81 | C79 | C78 | H133 | 44.0° | 60.0° |
| C81 | C79 | C78 | H134 | 73.6° | 60.0° |
| C81 | C79 | H135 | H136 | 115.6° | 120.0° |
| C79 | C81 | C80 | H137 | 180.0° | 59.9° |
| C79 | C81 | C80 | H138 | 60.0° | 60.0° |
| C79 | C81 | C80 | H139 | 60.0° | 180.0° |
| C79 | C81 | H140 | H141 | 117.7° | 120.0° |
| C80 | C81 | C79 | H135 | 68.4° | 60.0° |
| C80 | C81 | C79 | H136 | 174.4° | 60.1° |
| C81 | C80 | H137 | H138 | 120.0° | 120.0° |
| C81 | C80 | H137 | H139 | 120.0° | 120.1° |
| C81 | C80 | H138 | H139 | 120.0° | 120.0° |
| C80 | C81 | H140 | H141 | 117.7° | 120.0° |
| H123 | C72 | C74 | H125 | 179.1° | 65.0° |
| H123 | C72 | C73 | N1 | 48.1° | 60.0° |
| H124 | C72 | C74 | H125 | 59.8° | 175.1° |
| H124 | C72 | C73 | N1 | 71.3° | 60.0° |
| H125 | C74 | C75 | H126 | 72.5° | 65.0° |
| H125 | C74 | C75 | H127 | 169.1° | 175.1° |
| H125 | C74 | O23 | H128 | 60.1° | 180.0° |
| H126 | C75 | C76 | H129 | 161.6° | 180.0° |
| H126 | C75 | C76 | H130 | 80.8° | 60.0° |
| H127 | C75 | C76 | H129 | 43.3° | 60.0° |
| H127 | C75 | C76 | H130 | 160.8° | 180.0° |
| H129 | C76 | C77 | H131 | 64.9° | 180.0° |
| H129 | C76 | C77 | H132 | 178.5° | 60.0° |
| H130 | C76 | C77 | H131 | 52.7° | 60.0° |
| H130 | C76 | C77 | H132 | 63.9° | 180.0° |
| H131 | C77 | C78 | H133 | 72.5° | 180.0° |
| H131 | C77 | C78 | H134 | 169.9° | 60.0° |
| H132 | C77 | C78 | H133 | 44.1° | 60.0° |
| H132 | C77 | C78 | H134 | 73.5° | 180.0° |
| H133 | C78 | C79 | H135 | 165.4° | 180.0° |
| H133 | C78 | C79 | H136 | 77.4° | 60.0° |
| H134 | C78 | C79 | H135 | 47.8° | 60.0° |
| H134 | C78 | C79 | H136 | 165.0° | 180.0° |
| H135 | C79 | C81 | H140 | 52.3° | NaN° |
| H135 | C79 | C81 | H141 | 170.8° | 60.0° |
| H136 | C79 | C81 | H140 | 64.9° | 59.9° |
| H136 | C79 | C81 | H141 | 53.6° | 180.0° |
| H137 | C80 | H138 | H139 | 120.0° | 120.0° |
| H137 | C80 | C81 | H140 | 59.3° | 180.0° |
| H137 | C80 | C81 | H141 | 59.2° | 60.0° |
| H138 | C80 | C81 | H140 | 179.3° | 60.0° |
| H138 | C80 | C81 | H141 | 60.8° | 180.0° |
| H139 | C80 | C81 | H140 | 60.7° | 60.0° |
| H139 | C80 | C81 | H141 | 179.2° | 60.1° |
