PRD_000186
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.52Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| N1 | C4 | sing | 1.47Å | 1.44Å | |
| N1 | C7 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| N3 | C14 | sing | 1.47Å | 1.45Å | |
| N3 | C17 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.47Å | 1.46Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | O5 | doub | 1.21Å | 1.22Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | C23 | sing | 1.46Å | 1.44Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | O6 | doub | 1.21Å | 1.23Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| N6 | C27 | sing | 1.47Å | 1.47Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | O7 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| N7 | C33 | sing | 1.46Å | 1.45Å | |
| N7 | H54 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.51Å | 1.51Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | O8 | doub | 1.21Å | 1.23Å | |
| N8 | C36 | sing | 1.46Å | 1.45Å | |
| N8 | H59 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.21Å | 1.23Å | |
| N9 | C38 | sing | 1.46Å | 1.45Å | |
| N9 | H62 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | O10 | doub | 1.21Å | 1.23Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| N10 | C42 | sing | 1.46Å | 1.44Å | |
| N10 | H69 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.52Å | |
| C42 | C45 | sing | 1.53Å | 1.51Å | |
| C43 | O11 | doub | 1.21Å | 1.23Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| C45 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | O12 | doub | 1.21Å | 1.23Å | |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| N11 | C47 | sing | 1.47Å | 1.46Å | |
| N11 | C50 | sing | 1.47Å | 1.47Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C48 | C51 | sing | 1.53Å | 1.52Å | |
| C49 | C50 | sing | 1.53Å | 1.51Å | |
| C49 | C51 | sing | 1.54Å | 1.52Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| C48 | H77 | sing | 1.09Å | 1.10Å | |
| C48 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C49 | H80 | sing | 1.09Å | 1.10Å | |
| C50 | H81 | sing | 1.09Å | 1.10Å | |
| C50 | H82 | sing | 1.09Å | 1.10Å | |
| C51 | H83 | sing | 1.09Å | 1.10Å | |
| C51 | H84 | sing | 1.09Å | 1.10Å | |
| N12 | C52 | sing | 1.46Å | 1.43Å | |
| N12 | H85 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C52 | C54 | sing | 1.53Å | 1.52Å | |
| C52 | C55 | sing | 1.53Å | 1.52Å | |
| C53 | O13 | doub | 1.21Å | 1.22Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| C54 | H87 | sing | 1.09Å | 1.10Å | |
| C54 | H88 | sing | 1.09Å | 1.10Å | |
| C55 | H89 | sing | 1.09Å | 1.10Å | |
| C55 | H90 | sing | 1.09Å | 1.10Å | |
| C55 | H91 | sing | 1.09Å | 1.10Å | |
| N13 | C56 | sing | 1.47Å | 1.46Å | |
| N13 | H92 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| C56 | H93 | sing | 1.09Å | 1.10Å | |
| C56 | H94 | sing | 1.09Å | 1.10Å | |
| C57 | O14 | doub | 1.21Å | 1.23Å | |
| N14 | C58 | sing | 1.46Å | 1.44Å | |
| N14 | H95 | sing | 0.97Å | 1.00Å | |
| C58 | C59 | sing | 1.51Å | 1.52Å | |
| C58 | C60 | sing | 1.53Å | 1.54Å | |
| C58 | H96 | sing | 1.09Å | 1.10Å | |
| C59 | O15 | doub | 1.21Å | 1.22Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C60 | H97 | sing | 1.09Å | 1.10Å | |
| C60 | H98 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | C63 | sing | 1.53Å | 1.52Å | |
| C61 | H99 | sing | 1.09Å | 1.10Å | |
| C62 | H100 | sing | 1.09Å | 1.10Å | |
| C62 | H101 | sing | 1.09Å | 1.10Å | |
| C62 | H102 | sing | 1.09Å | 1.10Å | |
| C63 | H103 | sing | 1.09Å | 1.10Å | |
| C63 | H104 | sing | 1.09Å | 1.10Å | |
| C63 | H105 | sing | 1.09Å | 1.10Å | |
| N15 | C64 | sing | 1.46Å | 1.47Å | |
| N15 | H106 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.53Å | |
| C64 | C66 | sing | 1.53Å | 1.52Å | |
| C64 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | O16 | doub | 1.21Å | 1.22Å | |
| C66 | H107 | sing | 1.09Å | 1.10Å | |
| C66 | H108 | sing | 1.09Å | 1.10Å | |
| C66 | H109 | sing | 1.09Å | 1.10Å | |
| C67 | H110 | sing | 1.09Å | 1.10Å | |
| C67 | H111 | sing | 1.09Å | 1.10Å | |
| C67 | H112 | sing | 1.09Å | 1.10Å | |
| N16 | C68 | sing | 1.48Å | 1.34Å | |
| N16 | C74 | sing | 1.46Å | 1.36Å | |
| N16 | C75 | sing | 1.47Å | 1.35Å | |
| C68 | C69 | sing | 1.53Å | 1.52Å | |
| C68 | H113 | sing | 1.09Å | 1.10Å | |
| C68 | H114 | sing | 1.09Å | 1.10Å | |
| C69 | C70 | sing | 1.54Å | 1.53Å | |
| C69 | H115 | sing | 1.09Å | 1.10Å | |
| C69 | H116 | sing | 1.09Å | 1.10Å | |
| C70 | N17 | sing | 1.46Å | 1.33Å | |
| C70 | H117 | sing | 1.09Å | 1.10Å | |
| C70 | H118 | sing | 1.09Å | 1.10Å | |
| N17 | C71 | sing | 1.46Å | 1.32Å | |
| N17 | C74 | sing | 1.49Å | 1.33Å | |
| C71 | C72 | sing | 1.55Å | 1.52Å | |
| C71 | H119 | sing | 1.09Å | 1.10Å | |
| C71 | H120 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.55Å | 1.54Å | |
| C72 | H121 | sing | 1.09Å | 1.10Å | |
| C72 | H122 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | sing | 1.54Å | 1.53Å | |
| C73 | H123 | sing | 1.09Å | 1.10Å | |
| C73 | H124 | sing | 1.09Å | 1.10Å | |
| C74 | H125 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.54Å | |
| C75 | H126 | sing | 1.09Å | 1.10Å | |
| C75 | H127 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.54Å | |
| C76 | N18 | sing | 1.47Å | 1.34Å | |
| C76 | H128 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.54Å | |
| C77 | H129 | sing | 1.09Å | 1.10Å | |
| C77 | H130 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.54Å | |
| C78 | C80 | sing | 1.53Å | 1.51Å | |
| C78 | H131 | sing | 1.09Å | 1.10Å | |
| C79 | H132 | sing | 1.09Å | 1.10Å | |
| C79 | H133 | sing | 1.09Å | 1.10Å | |
| C79 | H134 | sing | 1.09Å | 1.10Å | |
| C80 | H135 | sing | 1.09Å | 1.10Å | |
| C80 | H136 | sing | 1.09Å | 1.10Å | |
| C80 | H137 | sing | 1.09Å | 1.10Å | |
| N18 | H138 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.50Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å | |
| C20 | N5 | sing | 1.35Å | 1.31Å | |
| C24 | N6 | sing | 1.35Å | 1.34Å | |
| C28 | N7 | sing | 1.35Å | 1.34Å | |
| C35 | N8 | sing | 1.35Å | 1.32Å | |
| C37 | N9 | sing | 1.35Å | 1.33Å | |
| C39 | N10 | sing | 1.35Å | 1.32Å | |
| C43 | N11 | sing | 1.35Å | 1.34Å | |
| C46 | N12 | sing | 1.35Å | 1.31Å | |
| C53 | N13 | sing | 1.35Å | 1.33Å | |
| C59 | N15 | sing | 1.35Å | 1.34Å | |
| C65 | N18 | sing | 1.35Å | 1.34Å | |
| C57 | N14 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.4° | 120.0° |
| O1 | C1 | N1 | 119.2° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 120.1° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 117.4° | 120.0° |
| O2 | C3 | N2 | 126.2° | 120.0° |
| C3 | C4 | N1 | 108.2° | 109.6° |
| C3 | C4 | C5 | 114.5° | 109.6° |
| C3 | C4 | H4 | 106.3° | 109.6° |
| C4 | C3 | N2 | 116.4° | 120.0° |
| C4 | N1 | C7 | 118.9° | 118.8° |
| N1 | C4 | C5 | 114.1° | 108.8° |
| N1 | C4 | H4 | 107.1° | 109.6° |
| C4 | N1 | C1 | 117.8° | 120.6° |
| N1 | C7 | C6 | 107.8° | 108.8° |
| N1 | C7 | H9 | 109.9° | 109.6° |
| N1 | C7 | H10 | 109.9° | 109.6° |
| C7 | N1 | C1 | 119.7° | 120.7° |
| C4 | C5 | C8 | 114.5° | 109.3° |
| C5 | C4 | H4 | 106.0° | 109.7° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| C4 | C5 | H6 | 108.2° | 109.5° |
| C5 | C8 | C6 | 112.9° | 109.7° |
| C8 | C5 | H5 | 108.2° | 109.6° |
| C8 | C5 | H6 | 108.2° | 109.5° |
| C5 | C8 | H11 | 108.6° | 109.4° |
| C5 | C8 | H12 | 108.6° | 109.5° |
| C7 | C6 | C8 | 109.4° | 109.3° |
| C7 | C6 | H7 | 109.5° | 109.6° |
| C7 | C6 | H8 | 109.5° | 109.5° |
| C6 | C7 | H9 | 109.9° | 109.6° |
| C6 | C7 | H10 | 109.9° | 109.6° |
| C8 | C6 | H7 | 109.5° | 109.6° |
| C8 | C6 | H8 | 109.5° | 109.4° |
| C6 | C8 | H11 | 108.6° | 109.6° |
| C6 | C8 | H12 | 108.6° | 109.2° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.7° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| C9 | N2 | H13 | 116.5° | 120.0° |
| N2 | C9 | C10 | 116.4° | 109.5° |
| N2 | C9 | C11 | 108.4° | 109.5° |
| N2 | C9 | C12 | 108.2° | 109.4° |
| C9 | N2 | C3 | 126.9° | 120.0° |
| H13 | N2 | C3 | 116.5° | 120.0° |
| C10 | C9 | C11 | 108.8° | 109.5° |
| C10 | C9 | C12 | 107.0° | 109.4° |
| C9 | C10 | O3 | 119.2° | 120.0° |
| C9 | C10 | N3 | 119.0° | 120.0° |
| C11 | C9 | C12 | 107.6° | 109.4° |
| C9 | C11 | H14 | 109.5° | 109.5° |
| C9 | C11 | H15 | 109.5° | 109.5° |
| C9 | C11 | H16 | 109.5° | 109.4° |
| C9 | C12 | H17 | 109.5° | 109.5° |
| C9 | C12 | H18 | 109.4° | 109.5° |
| C9 | C12 | H19 | 109.5° | 109.5° |
| O3 | C10 | N3 | 121.7° | 120.0° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.4° |
| H17 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| O4 | C13 | C14 | 121.4° | 120.0° |
| O4 | C13 | N4 | 123.1° | 120.0° |
| C13 | C14 | N3 | 118.9° | 109.6° |
| C13 | C14 | C15 | 114.2° | 109.6° |
| C13 | C14 | H20 | 103.7° | 109.6° |
| C14 | C13 | N4 | 115.4° | 120.0° |
| C14 | N3 | C17 | 116.7° | 118.7° |
| N3 | C14 | C15 | 109.9° | 108.8° |
| N3 | C14 | H20 | 104.5° | 109.6° |
| C14 | N3 | C10 | 118.4° | 120.7° |
| N3 | C17 | C16 | 108.9° | 108.7° |
| N3 | C17 | H25 | 109.6° | 109.6° |
| N3 | C17 | H26 | 109.6° | 109.6° |
| C17 | N3 | C10 | 124.9° | 120.6° |
| C14 | C15 | C18 | 111.4° | 109.3° |
| C15 | C14 | H20 | 103.8° | 109.7° |
| C14 | C15 | H21 | 109.0° | 109.5° |
| C14 | C15 | H22 | 109.0° | 109.5° |
| C15 | C18 | C16 | 112.7° | 109.7° |
| C18 | C15 | H21 | 108.9° | 109.5° |
| C18 | C15 | H22 | 109.0° | 109.5° |
| C15 | C18 | H27 | 108.7° | 109.5° |
| C15 | C18 | H28 | 108.6° | 109.5° |
| C17 | C16 | C18 | 111.1° | 109.3° |
| C17 | C16 | H23 | 109.1° | 109.5° |
| C17 | C16 | H24 | 109.1° | 109.5° |
| C16 | C17 | H25 | 109.6° | 109.6° |
| C16 | C17 | H26 | 109.6° | 109.6° |
| C18 | C16 | H23 | 109.1° | 109.6° |
| C18 | C16 | H24 | 109.0° | 109.5° |
| C16 | C18 | H27 | 108.6° | 109.6° |
| C16 | C18 | H28 | 108.7° | 109.2° |
| H21 | C15 | H22 | 109.4° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.7° |
| H27 | C18 | H28 | 109.4° | 109.4° |
| C19 | N4 | H29 | 117.4° | 120.0° |
| N4 | C19 | C20 | 113.0° | 109.4° |
| N4 | C19 | C21 | 107.6° | 109.5° |
| N4 | C19 | C22 | 110.1° | 109.5° |
| C19 | N4 | C13 | 125.2° | 120.0° |
| H29 | N4 | C13 | 117.4° | 120.0° |
| C20 | C19 | C21 | 106.9° | 109.5° |
| C20 | C19 | C22 | 110.1° | 109.5° |
| C19 | C20 | O5 | 122.0° | 120.0° |
| C19 | C20 | N5 | 115.5° | 120.0° |
| C21 | C19 | C22 | 109.0° | 109.5° |
| C19 | C21 | H30 | 109.5° | 109.4° |
| C19 | C21 | H31 | 109.5° | 109.5° |
| C19 | C21 | H32 | 109.5° | 109.4° |
| C19 | C22 | H33 | 109.5° | 109.5° |
| C19 | C22 | H34 | 109.5° | 109.5° |
| C19 | C22 | H35 | 109.5° | 109.4° |
| O5 | C20 | N5 | 122.5° | 120.0° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H30 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H33 | C22 | H35 | 109.5° | 109.5° |
| H34 | C22 | H35 | 109.4° | 109.5° |
| C23 | N5 | H36 | 119.2° | 120.0° |
| N5 | C23 | C24 | 113.5° | 109.5° |
| N5 | C23 | C25 | 107.3° | 109.5° |
| N5 | C23 | C26 | 108.6° | 109.5° |
| C23 | N5 | C20 | 121.6° | 120.0° |
| H36 | N5 | C20 | 119.2° | 119.9° |
| C24 | C23 | C25 | 107.7° | 109.5° |
| C24 | C23 | C26 | 110.7° | 109.4° |
| C23 | C24 | O6 | 118.8° | 120.0° |
| C23 | C24 | N6 | 119.8° | 120.0° |
| C25 | C23 | C26 | 109.0° | 109.4° |
| C23 | C25 | H37 | 109.5° | 109.5° |
| C23 | C25 | H38 | 109.5° | 109.5° |
| C23 | C25 | H39 | 109.5° | 109.5° |
| C23 | C26 | H40 | 109.5° | 109.5° |
| C23 | C26 | H41 | 109.5° | 109.5° |
| C23 | C26 | H42 | 109.5° | 109.5° |
| O6 | C24 | N6 | 121.4° | 120.0° |
| H37 | C25 | H38 | 109.5° | 109.4° |
| H37 | C25 | H39 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.4° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H40 | C26 | H42 | 109.5° | 109.4° |
| H41 | C26 | H42 | 109.5° | 109.5° |
| C27 | N6 | H43 | 120.5° | 120.0° |
| N6 | C27 | C28 | 117.0° | 109.5° |
| N6 | C27 | C29 | 112.8° | 109.4° |
| N6 | C27 | H44 | 105.3° | 109.5° |
| C27 | N6 | C24 | 119.1° | 120.0° |
| H43 | N6 | C24 | 120.4° | 120.1° |
| C28 | C27 | C29 | 111.3° | 109.5° |
| C28 | C27 | H44 | 104.5° | 109.5° |
| C27 | C28 | O7 | 118.3° | 120.0° |
| C27 | C28 | N7 | 117.2° | 120.0° |
| C29 | C27 | H44 | 104.5° | 109.4° |
| C27 | C29 | C30 | 116.0° | 109.5° |
| C27 | C29 | H45 | 107.8° | 109.4° |
| C27 | C29 | H46 | 107.8° | 109.4° |
| O7 | C28 | N7 | 120.3° | 120.0° |
| C30 | C29 | H45 | 107.8° | 109.5° |
| C30 | C29 | H46 | 107.8° | 109.5° |
| C29 | C30 | C31 | 109.9° | 109.5° |
| C29 | C30 | C32 | 110.9° | 109.5° |
| C29 | C30 | H47 | 108.8° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.4° |
| C31 | C30 | C32 | 109.3° | 109.5° |
| C31 | C30 | H47 | 108.9° | 109.5° |
| C30 | C31 | H48 | 109.5° | 109.5° |
| C30 | C31 | H49 | 109.4° | 109.5° |
| C30 | C31 | H50 | 109.5° | 109.5° |
| C32 | C30 | H47 | 109.0° | 109.5° |
| C30 | C32 | H51 | 109.5° | 109.4° |
| C30 | C32 | H52 | 109.5° | 109.4° |
| C30 | C32 | H53 | 109.5° | 109.5° |
| H48 | C31 | H49 | 109.5° | 109.5° |
| H48 | C31 | H50 | 109.5° | 109.4° |
| H49 | C31 | H50 | 109.5° | 109.5° |
| H51 | C32 | H52 | 109.4° | 109.5° |
| H51 | C32 | H53 | 109.5° | 109.5° |
| H52 | C32 | H53 | 109.5° | 109.5° |
| C33 | N7 | H54 | 117.7° | 120.1° |
| N7 | C33 | C34 | 113.7° | 109.4° |
| N7 | C33 | H55 | 108.4° | 109.5° |
| N7 | C33 | H56 | 108.4° | 109.5° |
| C33 | N7 | C28 | 124.7° | 120.0° |
| H54 | N7 | C28 | 117.6° | 120.0° |
| C34 | C33 | H55 | 108.4° | 109.4° |
| C34 | C33 | H56 | 108.4° | 109.4° |
| C33 | C34 | C35 | 109.3° | 109.5° |
| C33 | C34 | H57 | 109.5° | 109.4° |
| C33 | C34 | H58 | 109.5° | 109.4° |
| H55 | C33 | H56 | 109.5° | 109.4° |
| C35 | C34 | H57 | 109.5° | 109.5° |
| C35 | C34 | H58 | 109.5° | 109.5° |
| C34 | C35 | O8 | 119.2° | 120.0° |
| C34 | C35 | N8 | 115.7° | 120.0° |
| H57 | C34 | H58 | 109.5° | 109.4° |
| O8 | C35 | N8 | 120.2° | 120.0° |
| C36 | N8 | H59 | 120.6° | 120.1° |
| N8 | C36 | C37 | 110.1° | 109.4° |
| N8 | C36 | H60 | 109.3° | 109.5° |
| N8 | C36 | H61 | 109.3° | 109.5° |
| C36 | N8 | C35 | 118.8° | 120.0° |
| H59 | N8 | C35 | 120.6° | 120.0° |
| C37 | C36 | H60 | 109.3° | 109.4° |
| C37 | C36 | H61 | 109.3° | 109.4° |
| C36 | C37 | O9 | 121.2° | 120.0° |
| C36 | C37 | N9 | 114.8° | 120.0° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| O9 | C37 | N9 | 124.1° | 120.0° |
| C38 | N9 | H62 | 118.4° | 120.0° |
| N9 | C38 | C39 | 104.4° | 109.5° |
| N9 | C38 | C40 | 109.7° | 109.4° |
| N9 | C38 | C41 | 112.2° | 109.4° |
| C38 | N9 | C37 | 123.2° | 120.1° |
| H62 | N9 | C37 | 118.4° | 120.0° |
| C39 | C38 | C40 | 110.4° | 109.5° |
| C39 | C38 | C41 | 109.9° | 109.5° |
| C38 | C39 | O10 | 123.0° | 120.0° |
| C38 | C39 | N10 | 113.6° | 120.0° |
| C40 | C38 | C41 | 110.0° | 109.4° |
| C38 | C40 | H63 | 109.5° | 109.5° |
| C38 | C40 | H64 | 109.4° | 109.4° |
| C38 | C40 | H65 | 109.4° | 109.4° |
| C38 | C41 | H66 | 109.5° | 109.4° |
| C38 | C41 | H67 | 109.5° | 109.4° |
| C38 | C41 | H68 | 109.5° | 109.5° |
| O10 | C39 | N10 | 123.3° | 120.0° |
| H63 | C40 | H64 | 109.5° | 109.5° |
| H63 | C40 | H65 | 109.5° | 109.5° |
| H64 | C40 | H65 | 109.5° | 109.4° |
| H66 | C41 | H67 | 109.5° | 109.5° |
| H66 | C41 | H68 | 109.5° | 109.5° |
| H67 | C41 | H68 | 109.5° | 109.5° |
| C42 | N10 | H69 | 119.4° | 120.0° |
| N10 | C42 | C43 | 115.7° | 109.5° |
| N10 | C42 | C44 | 109.0° | 109.4° |
| N10 | C42 | C45 | 106.6° | 109.5° |
| C42 | N10 | C39 | 121.3° | 120.0° |
| H69 | N10 | C39 | 119.4° | 120.0° |
| C43 | C42 | C44 | 109.0° | 109.5° |
| C43 | C42 | C45 | 107.7° | 109.5° |
| C42 | C43 | O11 | 119.1° | 120.0° |
| C42 | C43 | N11 | 119.6° | 120.0° |
| C44 | C42 | C45 | 108.6° | 109.5° |
| C42 | C44 | H70 | 109.5° | 109.5° |
| C42 | C44 | H71 | 109.5° | 109.4° |
| C42 | C44 | H72 | 109.5° | 109.5° |
| C42 | C45 | H73 | 109.5° | 109.4° |
| C42 | C45 | H74 | 109.5° | 109.4° |
| C42 | C45 | H75 | 109.5° | 109.5° |
| O11 | C43 | N11 | 121.3° | 120.0° |
| H70 | C44 | H71 | 109.5° | 109.5° |
| H70 | C44 | H72 | 109.5° | 109.5° |
| H71 | C44 | H72 | 109.5° | 109.5° |
| H73 | C45 | H74 | 109.4° | 109.5° |
| H73 | C45 | H75 | 109.5° | 109.5° |
| H74 | C45 | H75 | 109.5° | 109.5° |
| O12 | C46 | C47 | 122.1° | 120.0° |
| O12 | C46 | N12 | 122.9° | 119.9° |
| C46 | C47 | N11 | 112.0° | 109.6° |
| C46 | C47 | C48 | 109.9° | 109.6° |
| C46 | C47 | H76 | 108.0° | 109.6° |
| C47 | C46 | N12 | 115.0° | 120.0° |
| C47 | N11 | C50 | 117.7° | 118.8° |
| N11 | C47 | C48 | 110.2° | 108.8° |
| N11 | C47 | H76 | 108.6° | 109.6° |
| C47 | N11 | C43 | 119.7° | 120.6° |
| N11 | C50 | C49 | 110.4° | 108.8° |
| N11 | C50 | H81 | 109.2° | 109.6° |
| N11 | C50 | H82 | 109.2° | 109.6° |
| C50 | N11 | C43 | 119.3° | 120.6° |
| C47 | C48 | C51 | 110.4° | 109.3° |
| C48 | C47 | H76 | 107.9° | 109.7° |
| C47 | C48 | H77 | 109.2° | 109.5° |
| C47 | C48 | H78 | 109.2° | 109.5° |
| C48 | C51 | C49 | 111.0° | 109.7° |
| C51 | C48 | H77 | 109.3° | 109.5° |
| C51 | C48 | H78 | 109.2° | 109.5° |
| C48 | C51 | H83 | 109.1° | 109.5° |
| C48 | C51 | H84 | 109.1° | 109.5° |
| C50 | C49 | C51 | 111.1° | 109.2° |
| C50 | C49 | H79 | 109.1° | 109.5° |
| C50 | C49 | H80 | 109.1° | 109.6° |
| C49 | C50 | H81 | 109.2° | 109.6° |
| C49 | C50 | H82 | 109.3° | 109.6° |
| C51 | C49 | H79 | 109.1° | 109.6° |
| C51 | C49 | H80 | 109.0° | 109.4° |
| C49 | C51 | H83 | 109.1° | 109.6° |
| C49 | C51 | H84 | 109.1° | 109.2° |
| H77 | C48 | H78 | 109.5° | 109.5° |
| H79 | C49 | H80 | 109.5° | 109.5° |
| H81 | C50 | H82 | 109.5° | 109.7° |
| H83 | C51 | H84 | 109.5° | 109.5° |
| C52 | N12 | H85 | 119.2° | 120.0° |
| N12 | C52 | C53 | 117.6° | 109.5° |
| N12 | C52 | C54 | 104.6° | 109.5° |
| N12 | C52 | C55 | 106.9° | 109.5° |
| C52 | N12 | C46 | 121.6° | 120.0° |
| H85 | N12 | C46 | 119.2° | 119.9° |
| C53 | C52 | C54 | 107.7° | 109.4° |
| C53 | C52 | C55 | 108.4° | 109.5° |
| C52 | C53 | O13 | 119.5° | 120.0° |
| C52 | C53 | N13 | 119.3° | 120.0° |
| C54 | C52 | C55 | 111.7° | 109.5° |
| C52 | C54 | H86 | 109.5° | 109.5° |
| C52 | C54 | H87 | 109.5° | 109.5° |
| C52 | C54 | H88 | 109.5° | 109.5° |
| C52 | C55 | H89 | 109.5° | 109.4° |
| C52 | C55 | H90 | 109.5° | 109.5° |
| C52 | C55 | H91 | 109.5° | 109.5° |
| O13 | C53 | N13 | 121.2° | 120.0° |
| H86 | C54 | H87 | 109.4° | 109.4° |
| H86 | C54 | H88 | 109.4° | 109.4° |
| H87 | C54 | H88 | 109.5° | 109.5° |
| H89 | C55 | H90 | 109.5° | 109.4° |
| H89 | C55 | H91 | 109.5° | 109.4° |
| H90 | C55 | H91 | 109.5° | 109.5° |
| C56 | N13 | H92 | 120.1° | 120.0° |
| N13 | C56 | C57 | 113.2° | 109.5° |
| N13 | C56 | H93 | 108.5° | 109.5° |
| N13 | C56 | H94 | 108.5° | 109.5° |
| C56 | N13 | C53 | 119.7° | 120.0° |
| H92 | N13 | C53 | 120.1° | 120.0° |
| C57 | C56 | H93 | 108.5° | 109.5° |
| C57 | C56 | H94 | 108.5° | 109.4° |
| C56 | C57 | O14 | 122.1° | 120.0° |
| C56 | C57 | N14 | 115.0° | 120.0° |
| H93 | C56 | H94 | 109.5° | 109.5° |
| O14 | C57 | N14 | 122.9° | 120.0° |
| C58 | N14 | H95 | 119.7° | 120.0° |
| N14 | C58 | C59 | 112.9° | 109.5° |
| N14 | C58 | C60 | 105.6° | 109.5° |
| N14 | C58 | H96 | 110.5° | 109.4° |
| C58 | N14 | C57 | 120.5° | 120.0° |
| H95 | N14 | C57 | 119.7° | 120.0° |
| C59 | C58 | C60 | 109.4° | 109.5° |
| C59 | C58 | H96 | 109.2° | 109.5° |
| C58 | C59 | O15 | 120.9° | 120.0° |
| C58 | C59 | N15 | 114.8° | 120.0° |
| C60 | C58 | H96 | 109.1° | 109.5° |
| C58 | C60 | C61 | 114.7° | 109.5° |
| C58 | C60 | H97 | 108.2° | 109.4° |
| C58 | C60 | H98 | 108.2° | 109.5° |
| O15 | C59 | N15 | 124.2° | 120.0° |
| C61 | C60 | H97 | 108.1° | 109.5° |
| C61 | C60 | H98 | 108.1° | 109.5° |
| C60 | C61 | C62 | 109.9° | 109.5° |
| C60 | C61 | C63 | 109.2° | 109.5° |
| C60 | C61 | H99 | 109.3° | 109.5° |
| H97 | C60 | H98 | 109.5° | 109.5° |
| C62 | C61 | C63 | 109.9° | 109.5° |
| C62 | C61 | H99 | 109.2° | 109.5° |
| C61 | C62 | H100 | 109.5° | 109.5° |
| C61 | C62 | H101 | 109.5° | 109.5° |
| C61 | C62 | H102 | 109.5° | 109.5° |
| C63 | C61 | H99 | 109.2° | 109.4° |
| C61 | C63 | H103 | 109.5° | 109.4° |
| C61 | C63 | H104 | 109.5° | 109.5° |
| C61 | C63 | H105 | 109.4° | 109.5° |
| H100 | C62 | H101 | 109.4° | 109.5° |
| H100 | C62 | H102 | 109.5° | 109.4° |
| H101 | C62 | H102 | 109.5° | 109.4° |
| H103 | C63 | H104 | 109.5° | 109.5° |
| H103 | C63 | H105 | 109.5° | 109.5° |
| H104 | C63 | H105 | 109.5° | 109.5° |
| C64 | N15 | H106 | 116.1° | 120.0° |
| N15 | C64 | C65 | 117.8° | 109.5° |
| N15 | C64 | C66 | 109.3° | 109.5° |
| N15 | C64 | C67 | 106.3° | 109.5° |
| C64 | N15 | C59 | 127.7° | 120.0° |
| H106 | N15 | C59 | 116.1° | 120.0° |
| C65 | C64 | C66 | 109.5° | 109.4° |
| C65 | C64 | C67 | 105.5° | 109.4° |
| C64 | C65 | O16 | 117.0° | 120.0° |
| C64 | C65 | N18 | 119.3° | 120.0° |
| C66 | C64 | C67 | 108.0° | 109.5° |
| C64 | C66 | H107 | 109.5° | 109.4° |
| C64 | C66 | H108 | 109.5° | 109.5° |
| C64 | C66 | H109 | 109.5° | 109.5° |
| C64 | C67 | H110 | 109.5° | 109.5° |
| C64 | C67 | H111 | 109.4° | 109.5° |
| C64 | C67 | H112 | 109.5° | 109.4° |
| O16 | C65 | N18 | 123.7° | 120.1° |
| H107 | C66 | H108 | 109.5° | 109.5° |
| H107 | C66 | H109 | 109.5° | 109.5° |
| H108 | C66 | H109 | 109.5° | 109.5° |
| H110 | C67 | H111 | 109.5° | 109.5° |
| H110 | C67 | H112 | 109.4° | 109.4° |
| H111 | C67 | H112 | 109.5° | 109.5° |
| C68 | N16 | C74 | 118.2° | 109.1° |
| C68 | N16 | C75 | 116.1° | 111.0° |
| N16 | C68 | C69 | 111.8° | 110.8° |
| N16 | C68 | H113 | 108.9° | 109.2° |
| N16 | C68 | H114 | 108.9° | 109.2° |
| C74 | N16 | C75 | 120.4° | 111.0° |
| N16 | C74 | N17 | 117.7° | 107.4° |
| N16 | C74 | C73 | 119.1° | 113.7° |
| N16 | C74 | H125 | 102.1° | 110.8° |
| N16 | C75 | C76 | 110.5° | 109.5° |
| N16 | C75 | H126 | 109.2° | 109.5° |
| N16 | C75 | H127 | 109.2° | 109.4° |
| C69 | C68 | H113 | 108.9° | 109.2° |
| C69 | C68 | H114 | 108.9° | 109.2° |
| C68 | C69 | C70 | 110.5° | 110.5° |
| C68 | C69 | H115 | 109.2° | 109.3° |
| C68 | C69 | H116 | 109.2° | 109.3° |
| H113 | C68 | H114 | 109.5° | 109.2° |
| C70 | C69 | H115 | 109.2° | 109.3° |
| C70 | C69 | H116 | 109.2° | 109.3° |
| C69 | C70 | N17 | 110.5° | 107.5° |
| C69 | C70 | H117 | 109.2° | 109.9° |
| C69 | C70 | H118 | 109.2° | 109.9° |
| H115 | C69 | H116 | 109.5° | 109.1° |
| N17 | C70 | H117 | 109.2° | 109.9° |
| N17 | C70 | H118 | 109.2° | 109.8° |
| C70 | N17 | C71 | 120.1° | 117.0° |
| C70 | N17 | C74 | 120.5° | 109.3° |
| H117 | C70 | H118 | 109.5° | 109.9° |
| C71 | N17 | C74 | 113.8° | 105.4° |
| N17 | C71 | C72 | 105.1° | 105.9° |
| N17 | C71 | H119 | 110.6° | 110.2° |
| N17 | C71 | H120 | 110.6° | 110.1° |
| N17 | C74 | C73 | 111.0° | 102.3° |
| N17 | C74 | H125 | 102.4° | 111.0° |
| C72 | C71 | H119 | 110.6° | 110.2° |
| C72 | C71 | H120 | 110.6° | 110.2° |
| C71 | C72 | C73 | 108.4° | 105.0° |
| C71 | C72 | H121 | 109.7° | 110.3° |
| C71 | C72 | H122 | 109.8° | 110.3° |
| H119 | C71 | H120 | 109.5° | 110.2° |
| C73 | C72 | H121 | 109.8° | 110.4° |
| C73 | C72 | H122 | 109.7° | 110.4° |
| C72 | C73 | C74 | 95.8° | 102.1° |
| C72 | C73 | H123 | 112.8° | 110.9° |
| C72 | C73 | H124 | 112.8° | 110.9° |
| H121 | C72 | H122 | 109.5° | 110.4° |
| C74 | C73 | H123 | 112.8° | 110.9° |
| C74 | C73 | H124 | 112.8° | 110.9° |
| C73 | C74 | H125 | 100.8° | 111.3° |
| H123 | C73 | H124 | 109.5° | 110.8° |
| C76 | C75 | H126 | 109.2° | 109.4° |
| C76 | C75 | H127 | 109.2° | 109.5° |
| C75 | C76 | C77 | 117.4° | 109.5° |
| C75 | C76 | N18 | 109.2° | 109.4° |
| C75 | C76 | H128 | 103.3° | 109.5° |
| H126 | C75 | H127 | 109.5° | 109.5° |
| C77 | C76 | N18 | 116.7° | 109.4° |
| C77 | C76 | H128 | 103.2° | 109.5° |
| C76 | C77 | C78 | 114.7° | 109.5° |
| C76 | C77 | H129 | 108.1° | 109.5° |
| C76 | C77 | H130 | 108.1° | 109.4° |
| N18 | C76 | H128 | 105.2° | 109.5° |
| C76 | N18 | H138 | 117.9° | 120.0° |
| C76 | N18 | C65 | 124.3° | 120.0° |
| C78 | C77 | H129 | 108.1° | 109.5° |
| C78 | C77 | H130 | 108.1° | 109.5° |
| C77 | C78 | C79 | 115.6° | 109.5° |
| C77 | C78 | C80 | 117.7° | 109.5° |
| C77 | C78 | H131 | 101.5° | 109.5° |
| H129 | C77 | H130 | 109.5° | 109.4° |
| C79 | C78 | C80 | 114.8° | 109.4° |
| C79 | C78 | H131 | 101.6° | 109.5° |
| C78 | C79 | H132 | 109.5° | 109.5° |
| C78 | C79 | H133 | 109.5° | 109.4° |
| C78 | C79 | H134 | 109.5° | 109.5° |
| C80 | C78 | H131 | 101.8° | 109.5° |
| C78 | C80 | H135 | 109.5° | 109.5° |
| C78 | C80 | H136 | 109.5° | 109.5° |
| C78 | C80 | H137 | 109.4° | 109.5° |
| H132 | C79 | H133 | 109.5° | 109.5° |
| H132 | C79 | H134 | 109.4° | 109.5° |
| H133 | C79 | H134 | 109.4° | 109.4° |
| H135 | C80 | H136 | 109.5° | 109.5° |
| H135 | C80 | H137 | 109.5° | 109.4° |
| H136 | C80 | H137 | 109.5° | 109.5° |
| H138 | N18 | C65 | 117.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 172.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 55.3° |
| O1 | C1 | C2 | H2 | 120.0° | 175.4° |
| O1 | C1 | C2 | H3 | 120.0° | 64.7° |
| O1 | C1 | N1 | C4 | 11.5° | 5.3° |
| O1 | C1 | N1 | C7 | 147.0° | 175.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C4 | 175.6° | 175.0° |
| C2 | C1 | N1 | C7 | 25.9° | 4.7° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 172.8° | 124.3° |
| H2 | C2 | C1 | N1 | 67.2° | 4.3° |
| H3 | C2 | C1 | N1 | 52.8° | 115.7° |
| O2 | C3 | C4 | N2 | 179.9° | 180.0° |
| O2 | C3 | C4 | N1 | 18.5° | 55.4° |
| O2 | C3 | C4 | C5 | 147.1° | 63.8° |
| O2 | C3 | C4 | H4 | 96.2° | 175.7° |
| O2 | C3 | N2 | C9 | 1.3° | 0.0° |
| O2 | C3 | N2 | H13 | 178.7° | 180.0° |
| C3 | C4 | N1 | C5 | 128.8° | 119.8° |
| C3 | C4 | N1 | H4 | 114.2° | 120.3° |
| C3 | C4 | N1 | C7 | 87.0° | 173.7° |
| C3 | C4 | C5 | H4 | 116.8° | 120.4° |
| C3 | C4 | C5 | C8 | 93.5° | 174.4° |
| C3 | C4 | C5 | H5 | 27.2° | 54.4° |
| C3 | C4 | C5 | H6 | 145.8° | 65.6° |
| C4 | C3 | N2 | C9 | 178.8° | 180.0° |
| C4 | C3 | N2 | H13 | 1.2° | 0.0° |
| C3 | C4 | N1 | C1 | 114.3° | 6.6° |
| C4 | N1 | C7 | C1 | 158.3° | 179.7° |
| N1 | C4 | C5 | H4 | 117.6° | 119.8° |
| N1 | C4 | C5 | C8 | 32.0° | 54.7° |
| C4 | N1 | C7 | C6 | 56.8° | 53.9° |
| N1 | C4 | C5 | H5 | 152.7° | 65.4° |
| N1 | C4 | C5 | H6 | 88.7° | 174.6° |
| C4 | N1 | C7 | H9 | 176.6° | 65.9° |
| C4 | N1 | C7 | H10 | 62.9° | 173.7° |
| N1 | C4 | C3 | N2 | 161.4° | 124.6° |
| C7 | N1 | C4 | C5 | 41.8° | 53.9° |
| N1 | C7 | C6 | H9 | 119.8° | 119.8° |
| N1 | C7 | C6 | H10 | 119.8° | 119.8° |
| N1 | C7 | C6 | C8 | 61.5° | 54.5° |
| C7 | N1 | C4 | H4 | 158.8° | 66.0° |
| N1 | C7 | C6 | H7 | 58.5° | 174.6° |
| N1 | C7 | C6 | H8 | 178.5° | 65.3° |
| N1 | C7 | H9 | H10 | 120.8° | 120.3° |
| C4 | C5 | C8 | H5 | 120.7° | 120.0° |
| C4 | C5 | C8 | H6 | 120.7° | 119.9° |
| C4 | C5 | C8 | C6 | 40.8° | 61.1° |
| C4 | C5 | H5 | H6 | 117.7° | 120.0° |
| C4 | C5 | C8 | H11 | 79.7° | 178.6° |
| C4 | C5 | C8 | H12 | 161.3° | 58.6° |
| C5 | C4 | N1 | C1 | 116.9° | 126.4° |
| C5 | C4 | C3 | N2 | 32.8° | 116.2° |
| C5 | C8 | C6 | C7 | 56.2° | 61.1° |
| C5 | C8 | C6 | H11 | 120.5° | 120.2° |
| C5 | C8 | C6 | H12 | 120.5° | 120.0° |
| C8 | C5 | C4 | H4 | 149.6° | 65.2° |
| C8 | C5 | H5 | H6 | 117.7° | 120.1° |
| C5 | C8 | C6 | H7 | 63.8° | 178.9° |
| C5 | C8 | C6 | H8 | 176.2° | 58.8° |
| C5 | C8 | H11 | H12 | 118.4° | 120.0° |
| C7 | C6 | C8 | H7 | 120.0° | 120.1° |
| C7 | C6 | C8 | H8 | 120.0° | 119.9° |
| C7 | C6 | H7 | H8 | 120.0° | 120.1° |
| C6 | C7 | H9 | H10 | 120.8° | 120.3° |
| C7 | C6 | C8 | H11 | 64.3° | 178.8° |
| C7 | C6 | C8 | H12 | 176.7° | 58.9° |
| C6 | C7 | N1 | C1 | 101.5° | 126.4° |
| C6 | C8 | C5 | H5 | 161.6° | 58.8° |
| C6 | C8 | C5 | H6 | 79.9° | 179.0° |
| C8 | C6 | H7 | H8 | 120.0° | 120.0° |
| C8 | C6 | C7 | H9 | 178.7° | 65.3° |
| C8 | C6 | C7 | H10 | 58.2° | 174.3° |
| C6 | C8 | H11 | H12 | 118.4° | 119.7° |
| H4 | C4 | C5 | H5 | 89.7° | 174.8° |
| H4 | C4 | C5 | H6 | 28.9° | 54.7° |
| H4 | C4 | N1 | C1 | 0.1° | 113.7° |
| H4 | C4 | C3 | N2 | 83.9° | 4.3° |
| H5 | C5 | C8 | H11 | 41.0° | 61.4° |
| H5 | C5 | C8 | H12 | 77.9° | 178.6° |
| H6 | C5 | C8 | H11 | 159.6° | 58.7° |
| H6 | C5 | C8 | H12 | 40.6° | 61.3° |
| H7 | C6 | C7 | H9 | 61.3° | 54.8° |
| H7 | C6 | C7 | H10 | 178.2° | 65.6° |
| H7 | C6 | C8 | H11 | 175.7° | 58.7° |
| H7 | C6 | C8 | H12 | 56.8° | 61.2° |
| H8 | C6 | C7 | H9 | 58.7° | 174.9° |
| H8 | C6 | C7 | H10 | 61.8° | 54.5° |
| H8 | C6 | C8 | H11 | 55.7° | 61.4° |
| H8 | C6 | C8 | H12 | 63.3° | 178.7° |
| H9 | C7 | N1 | C1 | 18.3° | 113.8° |
| H10 | C7 | N1 | C1 | 138.8° | 6.6° |
| C9 | N2 | H13 | C3 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 122.8° | 120.1° |
| N2 | C9 | C10 | C12 | 121.1° | 120.0° |
| N2 | C9 | C11 | C12 | 116.8° | 120.0° |
| N2 | C9 | C10 | O3 | 116.5° | 130.2° |
| N2 | C9 | C11 | H14 | 180.0° | 60.0° |
| N2 | C9 | C11 | H15 | 60.0° | 180.0° |
| N2 | C9 | C11 | H16 | 60.0° | 60.0° |
| N2 | C9 | C12 | H17 | 180.0° | 60.1° |
| N2 | C9 | C12 | H18 | 60.0° | 180.0° |
| N2 | C9 | C12 | H19 | 60.0° | 60.0° |
| N2 | C9 | C10 | N3 | 63.1° | 49.7° |
| H13 | N2 | C9 | C10 | 166.2° | 4.0° |
| H13 | N2 | C9 | C11 | 43.2° | 116.0° |
| H13 | N2 | C9 | C12 | 73.3° | 124.0° |
| C10 | C9 | C11 | C12 | 115.7° | 120.0° |
| C9 | C10 | O3 | N3 | 179.6° | 179.9° |
| C10 | C9 | C11 | H14 | 52.5° | 180.0° |
| C10 | C9 | C11 | H15 | 172.5° | 59.9° |
| C10 | C9 | C11 | H16 | 67.5° | 60.0° |
| C10 | C9 | C12 | H17 | 53.8° | 60.0° |
| C10 | C9 | C12 | H18 | 66.2° | 60.0° |
| C10 | C9 | C12 | H19 | 173.8° | 180.0° |
| C9 | C10 | N3 | C14 | 176.8° | 178.5° |
| C9 | C10 | N3 | C17 | 3.5° | 1.2° |
| C10 | C9 | N2 | C3 | 13.8° | 176.0° |
| C11 | C9 | C10 | O3 | 120.7° | 10.1° |
| C9 | C11 | H14 | H15 | 120.0° | 120.0° |
| C9 | C11 | H14 | H16 | 120.0° | 120.0° |
| C9 | C11 | H15 | H16 | 120.0° | 119.9° |
| C11 | C9 | C12 | H17 | 63.0° | 180.0° |
| C11 | C9 | C12 | H18 | 177.0° | 60.0° |
| C11 | C9 | C12 | H19 | 57.0° | 60.0° |
| C11 | C9 | N2 | C3 | 136.8° | 63.9° |
| C11 | C9 | C10 | N3 | 59.7° | 169.8° |
| C12 | C9 | C10 | O3 | 4.7° | 109.8° |
| C12 | C9 | C11 | H14 | 63.1° | 60.0° |
| C12 | C9 | C11 | H15 | 56.8° | 60.0° |
| C12 | C9 | C11 | H16 | 176.8° | 180.0° |
| C9 | C12 | H17 | H18 | 120.0° | 120.0° |
| C9 | C12 | H17 | H19 | 120.0° | 120.1° |
| C9 | C12 | H18 | H19 | 120.0° | 120.0° |
| C12 | C9 | N2 | C3 | 106.7° | 56.1° |
| C12 | C9 | C10 | N3 | 175.8° | 70.3° |
| O3 | C10 | N3 | C14 | 3.6° | 1.6° |
| O3 | C10 | N3 | C17 | 176.0° | 178.7° |
| H14 | C11 | H15 | H16 | 120.0° | 120.1° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| O4 | C13 | C14 | N4 | 178.3° | 180.0° |
| O4 | C13 | C14 | N3 | 170.9° | 62.9° |
| O4 | C13 | C14 | C15 | 38.6° | 56.4° |
| O4 | C13 | C14 | H20 | 73.7° | 176.8° |
| O4 | C13 | N4 | C19 | 0.5° | 0.0° |
| O4 | C13 | N4 | H29 | 179.4° | 180.0° |
| C13 | C14 | N3 | C15 | 134.2° | 119.8° |
| C13 | C14 | N3 | H20 | 115.0° | 120.3° |
| C13 | C14 | N3 | C17 | 76.8° | 173.7° |
| C13 | C14 | C15 | H20 | 112.2° | 120.3° |
| C13 | C14 | C15 | C18 | 85.5° | 174.4° |
| C13 | C14 | C15 | H21 | 34.8° | 54.5° |
| C13 | C14 | C15 | H22 | 154.2° | 65.6° |
| C14 | C13 | N4 | C19 | 178.8° | 180.0° |
| C14 | C13 | N4 | H29 | 1.2° | 0.0° |
| C13 | C14 | N3 | C10 | 102.9° | 6.6° |
| C14 | N3 | C17 | C10 | 179.7° | 179.7° |
| N3 | C14 | C15 | H20 | 111.3° | 119.9° |
| N3 | C14 | C15 | C18 | 51.0° | 54.7° |
| C14 | N3 | C17 | C16 | 58.4° | 53.9° |
| N3 | C14 | C15 | H21 | 171.3° | 65.3° |
| N3 | C14 | C15 | H22 | 69.3° | 174.6° |
| C14 | N3 | C17 | H25 | 178.3° | 65.9° |
| C14 | N3 | C17 | H26 | 61.5° | 173.7° |
| N3 | C14 | C13 | N4 | 10.8° | 117.1° |
| C17 | N3 | C14 | C15 | 57.4° | 53.9° |
| N3 | C17 | C16 | H25 | 119.9° | 119.8° |
| N3 | C17 | C16 | H26 | 119.9° | 119.8° |
| N3 | C17 | C16 | C18 | 53.1° | 54.5° |
| C17 | N3 | C14 | H20 | 168.2° | 66.0° |
| N3 | C17 | C16 | H23 | 67.2° | 174.6° |
| N3 | C17 | C16 | H24 | 173.3° | 65.3° |
| N3 | C17 | H25 | H26 | 120.3° | 120.4° |
| C14 | C15 | C18 | H21 | 120.3° | 120.0° |
| C14 | C15 | C18 | H22 | 120.3° | 119.9° |
| C14 | C15 | C18 | C16 | 50.8° | 61.1° |
| C14 | C15 | H21 | H22 | 119.1° | 120.1° |
| C14 | C15 | C18 | H27 | 69.7° | 178.6° |
| C14 | C15 | C18 | H28 | 171.3° | 58.6° |
| C15 | C14 | N3 | C10 | 122.9° | 126.4° |
| C15 | C14 | C13 | N4 | 143.1° | 123.7° |
| C15 | C18 | C16 | C17 | 52.1° | 61.1° |
| C15 | C18 | C16 | H27 | 120.5° | 120.3° |
| C15 | C18 | C16 | H28 | 120.5° | 119.9° |
| C18 | C15 | C14 | H20 | 162.3° | 65.2° |
| C18 | C15 | H21 | H22 | 119.1° | 120.1° |
| C15 | C18 | C16 | H23 | 68.2° | 179.0° |
| C15 | C18 | C16 | H24 | 172.3° | 58.8° |
| C15 | C18 | H27 | H28 | 118.5° | 120.0° |
| C17 | C16 | C18 | H23 | 120.3° | 120.0° |
| C17 | C16 | C18 | H24 | 120.2° | 119.9° |
| C17 | C16 | H23 | H24 | 119.2° | 120.0° |
| C16 | C17 | H25 | H26 | 120.2° | 120.4° |
| C17 | C16 | C18 | H27 | 68.4° | 178.7° |
| C17 | C16 | C18 | H28 | 172.6° | 58.8° |
| C16 | C17 | N3 | C10 | 122.0° | 126.4° |
| C16 | C18 | C15 | H21 | 171.1° | 58.9° |
| C16 | C18 | C15 | H22 | 69.5° | 179.0° |
| C18 | C16 | H23 | H24 | 119.2° | 120.1° |
| C18 | C16 | C17 | H25 | 173.0° | 65.3° |
| C18 | C16 | C17 | H26 | 66.8° | 174.3° |
| C16 | C18 | H27 | H28 | 118.5° | 119.7° |
| H20 | C14 | C15 | H21 | 77.4° | 174.8° |
| H20 | C14 | C15 | H22 | 42.0° | 54.7° |
| H20 | C14 | N3 | C10 | 12.1° | 113.7° |
| H20 | C14 | C13 | N4 | 104.6° | 3.3° |
| H21 | C15 | C18 | H27 | 50.6° | 61.4° |
| H21 | C15 | C18 | H28 | 68.4° | 178.6° |
| H22 | C15 | C18 | H27 | 170.0° | 58.7° |
| H22 | C15 | C18 | H28 | 51.0° | 61.3° |
| H23 | C16 | C17 | H25 | 52.7° | 54.8° |
| H23 | C16 | C17 | H26 | 172.9° | 65.6° |
| H23 | C16 | C18 | H27 | 171.3° | 58.7° |
| H23 | C16 | C18 | H28 | 52.3° | 61.1° |
| H24 | C16 | C17 | H25 | 66.8° | 174.9° |
| H24 | C16 | C17 | H26 | 53.4° | 54.4° |
| H24 | C16 | C18 | H27 | 51.8° | 61.5° |
| H24 | C16 | C18 | H28 | 67.2° | 178.7° |
| H25 | C17 | N3 | C10 | 2.1° | 113.8° |
| H26 | C17 | N3 | C10 | 118.1° | 6.6° |
| C19 | N4 | H29 | C13 | 180.0° | 180.0° |
| N4 | C19 | C20 | C21 | 118.2° | 120.0° |
| N4 | C19 | C20 | C22 | 123.5° | 120.0° |
| N4 | C19 | C21 | C22 | 119.4° | 120.0° |
| N4 | C19 | C20 | O5 | 142.5° | 145.0° |
| N4 | C19 | C21 | H30 | 180.0° | 60.0° |
| N4 | C19 | C21 | H31 | 60.0° | 180.0° |
| N4 | C19 | C21 | H32 | 60.0° | 60.0° |
| N4 | C19 | C22 | H33 | 180.0° | 60.0° |
| N4 | C19 | C22 | H34 | 60.0° | 180.0° |
| N4 | C19 | C22 | H35 | 60.0° | 60.1° |
| N4 | C19 | C20 | N5 | 38.9° | 35.0° |
| H29 | N4 | C19 | C20 | 137.7° | 0.0° |
| H29 | N4 | C19 | C21 | 19.9° | 120.0° |
| H29 | N4 | C19 | C22 | 98.8° | 120.0° |
| C20 | C19 | C21 | C22 | 119.0° | 120.0° |
| C19 | C20 | O5 | N5 | 178.5° | 179.9° |
| C20 | C19 | C21 | H30 | 58.3° | 180.0° |
| C20 | C19 | C21 | H31 | 178.4° | 60.0° |
| C20 | C19 | C21 | H32 | 61.7° | 60.0° |
| C20 | C19 | C22 | H33 | 54.8° | 60.0° |
| C20 | C19 | C22 | H34 | 65.2° | 60.0° |
| C20 | C19 | C22 | H35 | 174.8° | 180.0° |
| C19 | C20 | N5 | C23 | 178.3° | 180.0° |
| C19 | C20 | N5 | H36 | 1.7° | 0.1° |
| C20 | C19 | N4 | C13 | 42.3° | 180.0° |
| C21 | C19 | C20 | O5 | 99.3° | 25.0° |
| C19 | C21 | H30 | H31 | 120.0° | 120.0° |
| C19 | C21 | H30 | H32 | 120.0° | 119.9° |
| C19 | C21 | H31 | H32 | 120.0° | 120.0° |
| C21 | C19 | C22 | H33 | 62.2° | 180.0° |
| C21 | C19 | C22 | H34 | 177.8° | 60.0° |
| C21 | C19 | C22 | H35 | 57.8° | 60.0° |
| C21 | C19 | N4 | C13 | 160.0° | 60.0° |
| C21 | C19 | C20 | N5 | 79.3° | 155.0° |
| C22 | C19 | C20 | O5 | 19.0° | 95.0° |
| C22 | C19 | C21 | H30 | 60.6° | 60.0° |
| C22 | C19 | C21 | H31 | 59.4° | 60.0° |
| C22 | C19 | C21 | H32 | 179.4° | 180.0° |
| C19 | C22 | H33 | H34 | 120.0° | 120.0° |
| C19 | C22 | H33 | H35 | 120.0° | 120.0° |
| C19 | C22 | H34 | H35 | 120.0° | 119.9° |
| C22 | C19 | N4 | C13 | 81.3° | 60.0° |
| C22 | C19 | C20 | N5 | 162.4° | 85.0° |
| O5 | C20 | N5 | C23 | 0.3° | 0.1° |
| O5 | C20 | N5 | H36 | 179.7° | 180.0° |
| H30 | C21 | H31 | H32 | 120.0° | 120.1° |
| H33 | C22 | H34 | H35 | 120.0° | 120.0° |
| C23 | N5 | H36 | C20 | 180.0° | 179.9° |
| N5 | C23 | C24 | C25 | 118.6° | 120.0° |
| N5 | C23 | C24 | C26 | 122.4° | 120.0° |
| N5 | C23 | C25 | C26 | 117.4° | 120.0° |
| N5 | C23 | C24 | O6 | 155.4° | 145.0° |
| N5 | C23 | C25 | H37 | 180.0° | 60.0° |
| N5 | C23 | C25 | H38 | 60.0° | 180.0° |
| N5 | C23 | C25 | H39 | 60.0° | 60.0° |
| N5 | C23 | C26 | H40 | 180.0° | 60.0° |
| N5 | C23 | C26 | H41 | 60.0° | 180.0° |
| N5 | C23 | C26 | H42 | 60.0° | 60.0° |
| N5 | C23 | C24 | N6 | 24.2° | 35.0° |
| H36 | N5 | C23 | C24 | 115.9° | 0.0° |
| H36 | N5 | C23 | C25 | 3.0° | 120.0° |
| H36 | N5 | C23 | C26 | 120.6° | 120.0° |
| C24 | C23 | C25 | C26 | 120.1° | 119.9° |
| C23 | C24 | O6 | N6 | 179.5° | 180.0° |
| C24 | C23 | C25 | H37 | 57.5° | 180.0° |
| C24 | C23 | C25 | H38 | 177.6° | 59.9° |
| C24 | C23 | C25 | H39 | 62.5° | 60.1° |
| C24 | C23 | C26 | H40 | 54.8° | 60.0° |
| C24 | C23 | C26 | H41 | 65.2° | 59.9° |
| C24 | C23 | C26 | H42 | 174.8° | 180.0° |
| C23 | C24 | N6 | C27 | 178.1° | 179.9° |
| C23 | C24 | N6 | H43 | 1.9° | 0.0° |
| C24 | C23 | N5 | C20 | 64.2° | 180.0° |
| C25 | C23 | C24 | O6 | 36.8° | 25.0° |
| C23 | C25 | H37 | H38 | 120.0° | 120.1° |
| C23 | C25 | H37 | H39 | 120.0° | 120.0° |
| C23 | C25 | H38 | H39 | 120.0° | 120.0° |
| C25 | C23 | C26 | H40 | 63.4° | 180.0° |
| C25 | C23 | C26 | H41 | 176.6° | 60.0° |
| C25 | C23 | C26 | H42 | 56.6° | 60.0° |
| C25 | C23 | N5 | C20 | 177.0° | 60.0° |
| C25 | C23 | C24 | N6 | 142.7° | 155.0° |
| C26 | C23 | C24 | O6 | 82.2° | 95.0° |
| C26 | C23 | C25 | H37 | 62.6° | 60.0° |
| C26 | C23 | C25 | H38 | 57.4° | 60.0° |
| C26 | C23 | C25 | H39 | 177.4° | 180.0° |
| C23 | C26 | H40 | H41 | 120.0° | 120.0° |
| C23 | C26 | H40 | H42 | 120.0° | 120.0° |
| C23 | C26 | H41 | H42 | 120.0° | 120.0° |
| C26 | C23 | N5 | C20 | 59.4° | 60.0° |
| C26 | C23 | C24 | N6 | 98.2° | 85.0° |
| O6 | C24 | N6 | C27 | 1.4° | 0.0° |
| O6 | C24 | N6 | H43 | 178.6° | 180.0° |
| H37 | C25 | H38 | H39 | 120.0° | 119.9° |
| H40 | C26 | H41 | H42 | 120.0° | 120.0° |
| C27 | N6 | H43 | C24 | 180.0° | 180.0° |
| N6 | C27 | C28 | C29 | 131.7° | 120.0° |
| N6 | C27 | C28 | H44 | 116.0° | 120.0° |
| N6 | C27 | C29 | H44 | 113.9° | 120.0° |
| N6 | C27 | C28 | O7 | 169.1° | 0.0° |
| N6 | C27 | C29 | C30 | 52.2° | 65.0° |
| N6 | C27 | C29 | H45 | 68.7° | 55.1° |
| N6 | C27 | C29 | H46 | 173.2° | 175.0° |
| N6 | C27 | C28 | N7 | 33.8° | 179.9° |
| H43 | N6 | C27 | C28 | 49.0° | 25.0° |
| H43 | N6 | C27 | C29 | 82.0° | 95.0° |
| H43 | N6 | C27 | H44 | 164.6° | 145.0° |
| C28 | C27 | C29 | H44 | 112.3° | 120.0° |
| C27 | C28 | O7 | N7 | 156.4° | 180.0° |
| C28 | C27 | C29 | C30 | 173.9° | 175.0° |
| C28 | C27 | C29 | H45 | 65.1° | 65.0° |
| C28 | C27 | C29 | H46 | 53.0° | 55.0° |
| C27 | C28 | N7 | C33 | 73.9° | 180.0° |
| C27 | C28 | N7 | H54 | 106.1° | 0.0° |
| C28 | C27 | N6 | C24 | 131.0° | 155.0° |
| C29 | C27 | C28 | O7 | 59.1° | 120.0° |
| C27 | C29 | C30 | H45 | 120.9° | 120.0° |
| C27 | C29 | C30 | H46 | 121.0° | 120.0° |
| C27 | C29 | H45 | H46 | 117.0° | 119.9° |
| C27 | C29 | C30 | C31 | 177.5° | 175.0° |
| C27 | C29 | C30 | C32 | 56.5° | 65.0° |
| C27 | C29 | C30 | H47 | 63.3° | 55.0° |
| C29 | C27 | N6 | C24 | 98.0° | 85.0° |
| C29 | C27 | C28 | N7 | 98.0° | 60.0° |
| H44 | C27 | C28 | O7 | 53.1° | 120.0° |
| H44 | C27 | C29 | C30 | 61.7° | 54.9° |
| H44 | C27 | C29 | H45 | 177.4° | 175.0° |
| H44 | C27 | C29 | H46 | 59.3° | 65.1° |
| H44 | C27 | N6 | C24 | 15.4° | 34.9° |
| H44 | C27 | C28 | N7 | 149.8° | 60.0° |
| O7 | C28 | N7 | C33 | 129.5° | 0.0° |
| O7 | C28 | N7 | H54 | 50.5° | 180.0° |
| C30 | C29 | H45 | H46 | 117.0° | 120.0° |
| C29 | C30 | C31 | C32 | 121.9° | 120.0° |
| C29 | C30 | C31 | H47 | 119.1° | 120.0° |
| C29 | C30 | C32 | H47 | 119.8° | 120.0° |
| C29 | C30 | C31 | H48 | 180.0° | 60.0° |
| C29 | C30 | C31 | H49 | 60.0° | 180.0° |
| C29 | C30 | C31 | H50 | 60.0° | 60.0° |
| C29 | C30 | C32 | H51 | 180.0° | 60.0° |
| C29 | C30 | C32 | H52 | 60.0° | 60.0° |
| C29 | C30 | C32 | H53 | 60.0° | 180.0° |
| H45 | C29 | C30 | C31 | 61.6° | 55.0° |
| H45 | C29 | C30 | C32 | 177.4° | 175.0° |
| H45 | C29 | C30 | H47 | 57.6° | 65.0° |
| H46 | C29 | C30 | C31 | 56.5° | 65.0° |
| H46 | C29 | C30 | C32 | 64.5° | 55.0° |
| H46 | C29 | C30 | H47 | 175.7° | 175.0° |
| C31 | C30 | C32 | H47 | 118.9° | 120.0° |
| C30 | C31 | H48 | H49 | 120.0° | 120.0° |
| C30 | C31 | H48 | H50 | 120.0° | 120.0° |
| C30 | C31 | H49 | H50 | 120.0° | 120.0° |
| C31 | C30 | C32 | H51 | 58.7° | 60.0° |
| C31 | C30 | C32 | H52 | 61.3° | 180.0° |
| C31 | C30 | C32 | H53 | 178.7° | 60.0° |
| C32 | C30 | C31 | H48 | 58.1° | 60.0° |
| C32 | C30 | C31 | H49 | 178.1° | 60.0° |
| C32 | C30 | C31 | H50 | 61.9° | 180.0° |
| C30 | C32 | H51 | H52 | 120.0° | 119.9° |
| C30 | C32 | H51 | H53 | 120.0° | 120.0° |
| C30 | C32 | H52 | H53 | 120.0° | 120.0° |
| H47 | C30 | C31 | H48 | 60.9° | 179.9° |
| H47 | C30 | C31 | H49 | 59.1° | 60.0° |
| H47 | C30 | C31 | H50 | 179.1° | 60.0° |
| H47 | C30 | C32 | H51 | 60.2° | 180.0° |
| H47 | C30 | C32 | H52 | 179.8° | 60.0° |
| H47 | C30 | C32 | H53 | 59.8° | 60.0° |
| H48 | C31 | H49 | H50 | 120.0° | 120.0° |
| H51 | C32 | H52 | H53 | 120.0° | 120.1° |
| C33 | N7 | H54 | C28 | 180.0° | 180.0° |
| N7 | C33 | C34 | H55 | 120.7° | 120.0° |
| N7 | C33 | C34 | H56 | 120.6° | 120.0° |
| N7 | C33 | H55 | H56 | 118.1° | 120.1° |
| N7 | C33 | C34 | C35 | 92.2° | 180.0° |
| N7 | C33 | C34 | H57 | 27.8° | 60.0° |
| N7 | C33 | C34 | H58 | 147.8° | 60.0° |
| H54 | N7 | C33 | C34 | 92.0° | 0.0° |
| H54 | N7 | C33 | H55 | 28.7° | 120.0° |
| H54 | N7 | C33 | H56 | 147.4° | 120.0° |
| C34 | C33 | H55 | H56 | 118.1° | 119.9° |
| C33 | C34 | C35 | H57 | 120.0° | 120.0° |
| C33 | C34 | C35 | H58 | 120.0° | 120.0° |
| C33 | C34 | H57 | H58 | 120.1° | 119.9° |
| C33 | C34 | C35 | O8 | 56.0° | 0.0° |
| C34 | C33 | N7 | C28 | 88.0° | 180.0° |
| C33 | C34 | C35 | N8 | 99.3° | 180.0° |
| H55 | C33 | C34 | C35 | 147.1° | 60.0° |
| H55 | C33 | C34 | H57 | 92.9° | 180.0° |
| H55 | C33 | C34 | H58 | 27.2° | 60.1° |
| H55 | C33 | N7 | C28 | 151.3° | 60.1° |
| H56 | C33 | C34 | C35 | 28.4° | 60.0° |
| H56 | C33 | C34 | H57 | 148.4° | 60.1° |
| H56 | C33 | C34 | H58 | 91.5° | 180.0° |
| H56 | C33 | N7 | C28 | 32.6° | 60.0° |
| C35 | C34 | H57 | H58 | 120.0° | 120.0° |
| C34 | C35 | O8 | N8 | 154.1° | 180.0° |
| C34 | C35 | N8 | C36 | 159.9° | 180.0° |
| C34 | C35 | N8 | H59 | 20.1° | 0.0° |
| H57 | C34 | C35 | O8 | 64.0° | 120.0° |
| H57 | C34 | C35 | N8 | 140.7° | 60.0° |
| H58 | C34 | C35 | O8 | 176.0° | 120.0° |
| H58 | C34 | C35 | N8 | 20.7° | 60.0° |
| O8 | C35 | N8 | C36 | 4.9° | 0.0° |
| O8 | C35 | N8 | H59 | 175.1° | 180.0° |
| C36 | N8 | H59 | C35 | 180.0° | 180.0° |
| N8 | C36 | C37 | H60 | 120.1° | 120.0° |
| N8 | C36 | C37 | H61 | 120.1° | 120.0° |
| N8 | C36 | H60 | H61 | 119.7° | 120.1° |
| N8 | C36 | C37 | O9 | 53.7° | 0.0° |
| N8 | C36 | C37 | N9 | 126.3° | 180.0° |
| H59 | N8 | C36 | C37 | 57.8° | 0.0° |
| H59 | N8 | C36 | H60 | 62.3° | 119.9° |
| H59 | N8 | C36 | H61 | 177.9° | 119.9° |
| C37 | C36 | H60 | H61 | 119.7° | 120.0° |
| C36 | C37 | O9 | N9 | 180.0° | 179.9° |
| C36 | C37 | N9 | C38 | 176.6° | 180.0° |
| C36 | C37 | N9 | H62 | 3.4° | 0.1° |
| C37 | C36 | N8 | C35 | 122.3° | 180.0° |
| H60 | C36 | C37 | O9 | 173.8° | 120.0° |
| H60 | C36 | N8 | C35 | 117.6° | 60.1° |
| H60 | C36 | C37 | N9 | 6.1° | 60.1° |
| H61 | C36 | C37 | O9 | 66.4° | 120.0° |
| H61 | C36 | N8 | C35 | 2.2° | 60.0° |
| H61 | C36 | C37 | N9 | 113.7° | 60.0° |
| O9 | C37 | N9 | C38 | 3.4° | 0.1° |
| O9 | C37 | N9 | H62 | 176.6° | 180.0° |
| C38 | N9 | H62 | C37 | 180.0° | 179.9° |
| N9 | C38 | C39 | C40 | 117.9° | 120.0° |
| N9 | C38 | C39 | C41 | 120.5° | 120.0° |
| N9 | C38 | C40 | C41 | 123.9° | 119.9° |
| N9 | C38 | C39 | O10 | 162.2° | 145.0° |
| N9 | C38 | C40 | H63 | 180.0° | 60.0° |
| N9 | C38 | C40 | H64 | 60.0° | 180.0° |
| N9 | C38 | C40 | H65 | 60.0° | 60.1° |
| N9 | C38 | C41 | H66 | 180.0° | 60.1° |
| N9 | C38 | C41 | H67 | 60.0° | 180.0° |
| N9 | C38 | C41 | H68 | 60.0° | 60.0° |
| N9 | C38 | C39 | N10 | 17.0° | 35.0° |
| H62 | N9 | C38 | C39 | 110.9° | 0.0° |
| H62 | N9 | C38 | C40 | 7.4° | 120.1° |
| H62 | N9 | C38 | C41 | 130.0° | 120.0° |
| C39 | C38 | C40 | C41 | 121.5° | 120.0° |
| C38 | C39 | O10 | N10 | 179.1° | 179.9° |
| C39 | C38 | C40 | H63 | 65.4° | 180.0° |
| C39 | C38 | C40 | H64 | 54.6° | 59.9° |
| C39 | C38 | C40 | H65 | 174.6° | 60.0° |
| C39 | C38 | C41 | H66 | 64.2° | 60.0° |
| C39 | C38 | C41 | H67 | 175.8° | 60.0° |
| C39 | C38 | C41 | H68 | 55.8° | 180.0° |
| C38 | C39 | N10 | C42 | 177.8° | 180.0° |
| C38 | C39 | N10 | H69 | 2.2° | 0.1° |
| C39 | C38 | N9 | C37 | 69.1° | 180.0° |
| C40 | C38 | C39 | O10 | 79.9° | 25.0° |
| C38 | C40 | H63 | H64 | 120.0° | 120.0° |
| C38 | C40 | H63 | H65 | 120.0° | 120.0° |
| C38 | C40 | H64 | H65 | 120.0° | 119.9° |
| C40 | C38 | C41 | H66 | 57.6° | 180.0° |
| C40 | C38 | C41 | H67 | 62.4° | 60.1° |
| C40 | C38 | C41 | H68 | 177.6° | 60.0° |
| C40 | C38 | N9 | C37 | 172.6° | 60.0° |
| C40 | C38 | C39 | N10 | 100.9° | 155.0° |
| C41 | C38 | C39 | O10 | 41.7° | 95.0° |
| C41 | C38 | C40 | H63 | 56.1° | 59.9° |
| C41 | C38 | C40 | H64 | 176.1° | 60.1° |
| C41 | C38 | C40 | H65 | 63.9° | 180.0° |
| C38 | C41 | H66 | H67 | 120.0° | 119.9° |
| C38 | C41 | H66 | H68 | 120.0° | 120.0° |
| C38 | C41 | H67 | H68 | 120.0° | 120.0° |
| C41 | C38 | N9 | C37 | 50.0° | 59.9° |
| C41 | C38 | C39 | N10 | 137.5° | 85.0° |
| O10 | C39 | N10 | C42 | 1.4° | 0.1° |
| O10 | C39 | N10 | H69 | 178.6° | 180.0° |
| H63 | C40 | H64 | H65 | 120.0° | 120.0° |
| H66 | C41 | H67 | H68 | 120.0° | 120.1° |
| C42 | N10 | H69 | C39 | 180.0° | 179.9° |
| N10 | C42 | C43 | C44 | 123.2° | 119.9° |
| N10 | C42 | C43 | C45 | 119.1° | 120.0° |
| N10 | C42 | C44 | C45 | 115.8° | 120.0° |
| N10 | C42 | C43 | O11 | 125.5° | 114.6° |
| N10 | C42 | C44 | H70 | 180.0° | 60.0° |
| N10 | C42 | C44 | H71 | 60.0° | 180.0° |
| N10 | C42 | C44 | H72 | 60.0° | 60.0° |
| N10 | C42 | C45 | H73 | 180.0° | 60.0° |
| N10 | C42 | C45 | H74 | 60.0° | 180.0° |
| N10 | C42 | C45 | H75 | 60.0° | 60.0° |
| N10 | C42 | C43 | N11 | 57.6° | 65.4° |
| H69 | N10 | C42 | C43 | 131.0° | 5.5° |
| H69 | N10 | C42 | C44 | 7.8° | 114.5° |
| H69 | N10 | C42 | C45 | 109.2° | 125.6° |
| C43 | C42 | C44 | C45 | 117.1° | 120.0° |
| C42 | C43 | O11 | N11 | 176.8° | 180.0° |
| C43 | C42 | C44 | H70 | 52.9° | 180.0° |
| C43 | C42 | C44 | H71 | 172.9° | 60.0° |
| C43 | C42 | C44 | H72 | 67.2° | 60.0° |
| C43 | C42 | C45 | H73 | 55.2° | 60.0° |
| C43 | C42 | C45 | H74 | 64.8° | 60.0° |
| C43 | C42 | C45 | H75 | 175.2° | 180.0° |
| C42 | C43 | N11 | C47 | 177.7° | 178.0° |
| C42 | C43 | N11 | C50 | 23.4° | 1.7° |
| C43 | C42 | N10 | C39 | 48.9° | 174.4° |
| C44 | C42 | C43 | O11 | 111.3° | 5.4° |
| C42 | C44 | H70 | H71 | 120.0° | 120.0° |
| C42 | C44 | H70 | H72 | 120.0° | 120.0° |
| C42 | C44 | H71 | H72 | 120.0° | 120.0° |
| C44 | C42 | C45 | H73 | 62.7° | 179.9° |
| C44 | C42 | C45 | H74 | 177.3° | 60.1° |
| C44 | C42 | C45 | H75 | 57.3° | 60.0° |
| C44 | C42 | N10 | C39 | 172.1° | 65.6° |
| C44 | C42 | C43 | N11 | 65.5° | 174.7° |
| C45 | C42 | C43 | O11 | 6.4° | 125.4° |
| C45 | C42 | C44 | H70 | 64.2° | 60.0° |
| C45 | C42 | C44 | H71 | 55.7° | 60.0° |
| C45 | C42 | C44 | H72 | 175.7° | 180.0° |
| C42 | C45 | H73 | H74 | 120.0° | 120.0° |
| C42 | C45 | H73 | H75 | 120.0° | 120.0° |
| C42 | C45 | H74 | H75 | 120.0° | 120.0° |
| C45 | C42 | N10 | C39 | 70.8° | 54.3° |
| C45 | C42 | C43 | N11 | 176.8° | 54.7° |
| O11 | C43 | N11 | C47 | 0.9° | 2.0° |
| O11 | C43 | N11 | C50 | 159.9° | 178.3° |
| H70 | C44 | H71 | H72 | 120.0° | 120.0° |
| H73 | C45 | H74 | H75 | 120.0° | 120.0° |
| O12 | C46 | C47 | N12 | 179.8° | 180.0° |
| O12 | C46 | C47 | N11 | 155.4° | 62.5° |
| O12 | C46 | C47 | C48 | 32.5° | 56.8° |
| O12 | C46 | C47 | H76 | 85.0° | 177.2° |
| O12 | C46 | N12 | C52 | 3.1° | 0.0° |
| O12 | C46 | N12 | H85 | 176.9° | 179.9° |
| C46 | C47 | N11 | C48 | 122.7° | 119.8° |
| C46 | C47 | N11 | H76 | 119.2° | 120.3° |
| C46 | C47 | N11 | C50 | 70.0° | 173.7° |
| C46 | C47 | C48 | H76 | 117.6° | 120.4° |
| C46 | C47 | C48 | C51 | 70.5° | 174.4° |
| C46 | C47 | C48 | H77 | 49.7° | 54.5° |
| C46 | C47 | C48 | H78 | 169.4° | 65.6° |
| C47 | C46 | N12 | C52 | 176.7° | 180.0° |
| C47 | C46 | N12 | H85 | 3.3° | 0.0° |
| C46 | C47 | N11 | C43 | 89.3° | 6.6° |
| C47 | N11 | C50 | C43 | 159.3° | 179.7° |
| N11 | C47 | C48 | H76 | 118.5° | 119.9° |
| N11 | C47 | C48 | C51 | 53.4° | 54.6° |
| C47 | N11 | C50 | C49 | 51.7° | 53.9° |
| N11 | C47 | C48 | H77 | 173.6° | 65.3° |
| N11 | C47 | C48 | H78 | 66.7° | 174.6° |
| C47 | N11 | C50 | H81 | 171.8° | 65.9° |
| C47 | N11 | C50 | H82 | 68.5° | 173.7° |
| N11 | C47 | C46 | N12 | 24.5° | 117.6° |
| C50 | N11 | C47 | C48 | 52.7° | 53.9° |
| N11 | C50 | C49 | H81 | 120.1° | 119.8° |
| N11 | C50 | C49 | H82 | 120.1° | 119.8° |
| N11 | C50 | C49 | C51 | 51.3° | 54.6° |
| C50 | N11 | C47 | H76 | 170.8° | 66.1° |
| N11 | C50 | C49 | H79 | 69.0° | 174.6° |
| N11 | C50 | C49 | H80 | 171.5° | 65.3° |
| N11 | C50 | H81 | H82 | 119.5° | 120.4° |
| C47 | C48 | C51 | H77 | 120.2° | 120.0° |
| C47 | C48 | C51 | H78 | 120.1° | 120.0° |
| C47 | C48 | C51 | C49 | 56.9° | 61.1° |
| C47 | C48 | H77 | H78 | 119.6° | 120.1° |
| C47 | C48 | C51 | H83 | 63.3° | 178.6° |
| C47 | C48 | C51 | H84 | 177.2° | 58.6° |
| C48 | C47 | N11 | C43 | 148.0° | 126.4° |
| C48 | C47 | C46 | N12 | 147.3° | 123.2° |
| C48 | C51 | C49 | C50 | 56.1° | 61.1° |
| C48 | C51 | C49 | H83 | 120.2° | 120.2° |
| C48 | C51 | C49 | H84 | 120.2° | 119.9° |
| C51 | C48 | C47 | H76 | 171.9° | 65.2° |
| C51 | C48 | H77 | H78 | 119.6° | 120.0° |
| C48 | C51 | C49 | H79 | 64.1° | 178.9° |
| C48 | C51 | C49 | H80 | 176.4° | 58.8° |
| C48 | C51 | H83 | H84 | 119.3° | 120.0° |
| C50 | C49 | C51 | H79 | 120.3° | 120.0° |
| C50 | C49 | C51 | H80 | 120.2° | 119.9° |
| C50 | C49 | H79 | H80 | 119.3° | 120.1° |
| C49 | C50 | H81 | H82 | 119.6° | 120.3° |
| C50 | C49 | C51 | H83 | 64.1° | 178.7° |
| C50 | C49 | C51 | H84 | 176.4° | 58.8° |
| C49 | C50 | N11 | C43 | 149.0° | 126.4° |
| C49 | C51 | C48 | H77 | 177.1° | 58.8° |
| C49 | C51 | C48 | H78 | 63.2° | 178.9° |
| C51 | C49 | H79 | H80 | 119.2° | 120.1° |
| C51 | C49 | C50 | H81 | 171.4° | 65.3° |
| C51 | C49 | C50 | H82 | 68.9° | 174.3° |
| C49 | C51 | H83 | H84 | 119.3° | 119.7° |
| H76 | C47 | C48 | H77 | 67.9° | 174.8° |
| H76 | C47 | C48 | H78 | 51.8° | 54.7° |
| H76 | C47 | N11 | C43 | 29.9° | 113.7° |
| H76 | C47 | C46 | N12 | 95.1° | 2.7° |
| H77 | C48 | C51 | H83 | 56.9° | 61.4° |
| H77 | C48 | C51 | H84 | 62.7° | 178.6° |
| H78 | C48 | C51 | H83 | 176.6° | 58.7° |
| H78 | C48 | C51 | H84 | 57.0° | 61.3° |
| H79 | C49 | C50 | H81 | 51.1° | 54.7° |
| H79 | C49 | C50 | H82 | 170.9° | 65.6° |
| H79 | C49 | C51 | H83 | 175.7° | 58.7° |
| H79 | C49 | C51 | H84 | 56.1° | 61.1° |
| H80 | C49 | C50 | H81 | 68.4° | 174.8° |
| H80 | C49 | C50 | H82 | 51.3° | 54.5° |
| H80 | C49 | C51 | H83 | 56.2° | 61.4° |
| H80 | C49 | C51 | H84 | 63.4° | 178.8° |
| H81 | C50 | N11 | C43 | 28.9° | 113.8° |
| H82 | C50 | N11 | C43 | 90.8° | 6.6° |
| C52 | N12 | H85 | C46 | 180.0° | 180.0° |
| N12 | C52 | C53 | C54 | 117.8° | 120.0° |
| N12 | C52 | C53 | C55 | 121.2° | 120.1° |
| N12 | C52 | C54 | C55 | 115.3° | 120.0° |
| N12 | C52 | C53 | O13 | 142.6° | 145.0° |
| N12 | C52 | C54 | H86 | 180.0° | 60.0° |
| N12 | C52 | C54 | H87 | 60.0° | 180.0° |
| N12 | C52 | C54 | H88 | 60.0° | 60.0° |
| N12 | C52 | C55 | H89 | 180.0° | 60.0° |
| N12 | C52 | C55 | H90 | 60.0° | 180.0° |
| N12 | C52 | C55 | H91 | 60.0° | 59.9° |
| N12 | C52 | C53 | N13 | 39.3° | 35.0° |
| H85 | N12 | C52 | C53 | 131.4° | 0.0° |
| H85 | N12 | C52 | C54 | 109.2° | 119.9° |
| H85 | N12 | C52 | C55 | 9.4° | 120.1° |
| C53 | C52 | C54 | C55 | 118.9° | 120.0° |
| C52 | C53 | O13 | N13 | 178.0° | 180.0° |
| C53 | C52 | C54 | H86 | 54.2° | 180.0° |
| C53 | C52 | C54 | H87 | 65.8° | 60.1° |
| C53 | C52 | C54 | H88 | 174.2° | 60.0° |
| C53 | C52 | C55 | H89 | 52.4° | 60.0° |
| C53 | C52 | C55 | H90 | 172.4° | 59.9° |
| C53 | C52 | C55 | H91 | 67.6° | 180.0° |
| C52 | C53 | N13 | C56 | 178.6° | 180.0° |
| C52 | C53 | N13 | H92 | 1.5° | 0.0° |
| C53 | C52 | N12 | C46 | 48.6° | 180.0° |
| C54 | C52 | C53 | O13 | 24.9° | 25.0° |
| C52 | C54 | H86 | H87 | 120.0° | 120.0° |
| C52 | C54 | H86 | H88 | 120.0° | 120.0° |
| C52 | C54 | H87 | H88 | 120.0° | 120.0° |
| C54 | C52 | C55 | H89 | 66.1° | 180.0° |
| C54 | C52 | C55 | H90 | 53.9° | 60.0° |
| C54 | C52 | C55 | H91 | 173.9° | 60.0° |
| C54 | C52 | N12 | C46 | 70.8° | 60.0° |
| C54 | C52 | C53 | N13 | 157.0° | 155.0° |
| C55 | C52 | C53 | O13 | 96.1° | 94.9° |
| C55 | C52 | C54 | H86 | 64.7° | 60.0° |
| C55 | C52 | C54 | H87 | 175.3° | 59.9° |
| C55 | C52 | C54 | H88 | 55.3° | 180.0° |
| C52 | C55 | H89 | H90 | 120.0° | 120.0° |
| C52 | C55 | H89 | H91 | 120.0° | 120.0° |
| C52 | C55 | H90 | H91 | 120.0° | 120.1° |
| C55 | C52 | N12 | C46 | 170.6° | 60.0° |
| C55 | C52 | C53 | N13 | 81.9° | 85.0° |
| O13 | C53 | N13 | C56 | 0.5° | 0.0° |
| O13 | C53 | N13 | H92 | 179.5° | 180.0° |
| H86 | C54 | H87 | H88 | 119.9° | 120.0° |
| H89 | C55 | H90 | H91 | 120.0° | 119.9° |
| C56 | N13 | H92 | C53 | 180.0° | 179.9° |
| N13 | C56 | C57 | H93 | 120.5° | 120.0° |
| N13 | C56 | C57 | H94 | 120.5° | 120.0° |
| N13 | C56 | H93 | H94 | 118.3° | 120.0° |
| N13 | C56 | C57 | O14 | 164.3° | 0.0° |
| N13 | C56 | C57 | N14 | 15.1° | 180.0° |
| H92 | N13 | C56 | C57 | 109.1° | 0.0° |
| H92 | N13 | C56 | H93 | 130.3° | 119.9° |
| H92 | N13 | C56 | H94 | 11.4° | 120.0° |
| C57 | C56 | H93 | H94 | 118.3° | 120.0° |
| C56 | C57 | O14 | N14 | 179.3° | 180.0° |
| C56 | C57 | N14 | C58 | 177.3° | 180.0° |
| C56 | C57 | N14 | H95 | 2.7° | 0.0° |
| C57 | C56 | N13 | C53 | 70.9° | 180.0° |
| H93 | C56 | C57 | O14 | 75.2° | 120.0° |
| H93 | C56 | N13 | C53 | 49.7° | 60.0° |
| H93 | C56 | C57 | N14 | 105.5° | 60.0° |
| H94 | C56 | C57 | O14 | 43.7° | 120.0° |
| H94 | C56 | N13 | C53 | 168.6° | 60.0° |
| H94 | C56 | C57 | N14 | 135.6° | 60.0° |
| O14 | C57 | N14 | C58 | 2.0° | 0.0° |
| O14 | C57 | N14 | H95 | 178.0° | 180.0° |
| C58 | N14 | H95 | C57 | 180.0° | 180.0° |
| N14 | C58 | C59 | C60 | 117.3° | 120.1° |
| N14 | C58 | C59 | H96 | 123.4° | 120.0° |
| N14 | C58 | C60 | H96 | 118.7° | 120.0° |
| N14 | C58 | C59 | O15 | 159.4° | 7.1° |
| N14 | C58 | C60 | C61 | 133.4° | 67.6° |
| N14 | C58 | C60 | H97 | 12.6° | 52.4° |
| N14 | C58 | C60 | H98 | 105.9° | 172.4° |
| N14 | C58 | C59 | N15 | 22.5° | 172.9° |
| H95 | N14 | C58 | C59 | 71.0° | 25.0° |
| H95 | N14 | C58 | C60 | 48.6° | 95.0° |
| H95 | N14 | C58 | H96 | 166.3° | 145.0° |
| C59 | C58 | C60 | H96 | 119.5° | 120.0° |
| C58 | C59 | O15 | N15 | 177.9° | 180.0° |
| C59 | C58 | C60 | C61 | 104.8° | 172.3° |
| C59 | C58 | C60 | H97 | 134.4° | 67.7° |
| C59 | C58 | C60 | H98 | 15.9° | 52.3° |
| C58 | C59 | N15 | C64 | 176.2° | 175.2° |
| C58 | C59 | N15 | H106 | 3.8° | 4.8° |
| C59 | C58 | N14 | C57 | 109.0° | 155.0° |
| C60 | C58 | C59 | O15 | 83.3° | 113.0° |
| C58 | C60 | C61 | H97 | 120.8° | 120.0° |
| C58 | C60 | C61 | H98 | 120.8° | 120.0° |
| C58 | C60 | H97 | H98 | 117.6° | 120.0° |
| C58 | C60 | C61 | C62 | 60.0° | 175.0° |
| C58 | C60 | C61 | C63 | 179.4° | 65.0° |
| C58 | C60 | C61 | H99 | 59.9° | 55.0° |
| C60 | C58 | C59 | N15 | 94.7° | 67.0° |
| C60 | C58 | N14 | C57 | 131.4° | 85.0° |
| H96 | C58 | C59 | O15 | 36.0° | 127.0° |
| H96 | C58 | C60 | C61 | 14.6° | 52.3° |
| H96 | C58 | C60 | H97 | 106.1° | 172.4° |
| H96 | C58 | C60 | H98 | 135.4° | 67.7° |
| H96 | C58 | C59 | N15 | 145.9° | 52.9° |
| H96 | C58 | N14 | C57 | 13.7° | 35.0° |
| O15 | C59 | N15 | C64 | 1.7° | 4.9° |
| O15 | C59 | N15 | H106 | 178.3° | 175.1° |
| C61 | C60 | H97 | H98 | 117.6° | 120.0° |
| C60 | C61 | C62 | C63 | 120.2° | 120.0° |
| C60 | C61 | C62 | H99 | 120.0° | 120.0° |
| C60 | C61 | C63 | H99 | 119.5° | 120.0° |
| C60 | C61 | C62 | H100 | 180.0° | 60.0° |
| C60 | C61 | C62 | H101 | 60.0° | 180.0° |
| C60 | C61 | C62 | H102 | 60.0° | 60.0° |
| C60 | C61 | C63 | H103 | 180.0° | 60.0° |
| C60 | C61 | C63 | H104 | 60.0° | 60.0° |
| C60 | C61 | C63 | H105 | 60.0° | 180.0° |
| H97 | C60 | C61 | C62 | 60.8° | 55.0° |
| H97 | C60 | C61 | C63 | 59.9° | 175.0° |
| H97 | C60 | C61 | H99 | 179.3° | 65.0° |
| H98 | C60 | C61 | C62 | 179.2° | 65.0° |
| H98 | C60 | C61 | C63 | 58.6° | 55.0° |
| H98 | C60 | C61 | H99 | 60.9° | 175.0° |
| C62 | C61 | C63 | H99 | 119.8° | 120.0° |
| C61 | C62 | H100 | H101 | 120.0° | 120.0° |
| C61 | C62 | H100 | H102 | 120.0° | 120.0° |
| C61 | C62 | H101 | H102 | 120.0° | 120.1° |
| C62 | C61 | C63 | H103 | 59.3° | 60.0° |
| C62 | C61 | C63 | H104 | 60.7° | 180.0° |
| C62 | C61 | C63 | H105 | 179.3° | 60.0° |
| C63 | C61 | C62 | H100 | 59.8° | 60.0° |
| C63 | C61 | C62 | H101 | 179.8° | 60.0° |
| C63 | C61 | C62 | H102 | 60.2° | 180.0° |
| C61 | C63 | H103 | H104 | 120.0° | 120.0° |
| C61 | C63 | H103 | H105 | 120.0° | 120.0° |
| C61 | C63 | H104 | H105 | 120.0° | 120.0° |
| H99 | C61 | C62 | H100 | 60.0° | NaN° |
| H99 | C61 | C62 | H101 | 59.9° | 60.0° |
| H99 | C61 | C62 | H102 | 180.0° | 60.0° |
| H99 | C61 | C63 | H103 | 60.5° | 180.0° |
| H99 | C61 | C63 | H104 | 179.5° | 60.0° |
| H99 | C61 | C63 | H105 | 59.5° | 60.0° |
| H100 | C62 | H101 | H102 | 120.0° | 119.9° |
| H103 | C63 | H104 | H105 | 120.0° | 120.0° |
| C64 | N15 | H106 | C59 | 180.0° | 180.0° |
| N15 | C64 | C65 | C66 | 125.6° | 120.0° |
| N15 | C64 | C65 | C67 | 118.4° | 120.0° |
| N15 | C64 | C66 | C67 | 115.2° | 120.1° |
| N15 | C64 | C65 | O16 | 147.9° | 142.6° |
| N15 | C64 | C66 | H107 | 180.0° | 60.0° |
| N15 | C64 | C66 | H108 | 60.0° | 180.0° |
| N15 | C64 | C66 | H109 | 60.0° | 60.0° |
| N15 | C64 | C67 | H110 | 180.0° | 60.0° |
| N15 | C64 | C67 | H111 | 60.0° | 180.0° |
| N15 | C64 | C67 | H112 | 60.0° | 60.0° |
| N15 | C64 | C65 | N18 | 31.4° | 37.2° |
| H106 | N15 | C64 | C65 | 109.3° | 2.2° |
| H106 | N15 | C64 | C66 | 125.0° | 117.7° |
| H106 | N15 | C64 | C67 | 8.7° | 122.2° |
| C65 | C64 | C66 | C67 | 114.4° | 119.9° |
| C64 | C65 | O16 | N18 | 179.2° | 179.9° |
| C65 | C64 | C66 | H107 | 49.6° | 180.0° |
| C65 | C64 | C66 | H108 | 70.4° | 60.0° |
| C65 | C64 | C66 | H109 | 169.6° | 60.1° |
| C65 | C64 | C67 | H110 | 54.2° | 60.0° |
| C65 | C64 | C67 | H111 | 174.2° | 60.0° |
| C65 | C64 | C67 | H112 | 65.8° | 180.0° |
| C64 | C65 | N18 | C76 | 179.7° | 175.2° |
| C64 | C65 | N18 | H138 | 0.3° | 4.7° |
| C65 | C64 | N15 | C59 | 70.7° | 177.7° |
| C66 | C64 | C65 | O16 | 86.5° | 22.6° |
| C64 | C66 | H107 | H108 | 120.0° | 120.0° |
| C64 | C66 | H107 | H109 | 120.0° | 120.0° |
| C64 | C66 | H108 | H109 | 120.0° | 120.1° |
| C66 | C64 | C67 | H110 | 62.8° | 180.0° |
| C66 | C64 | C67 | H111 | 57.2° | 59.9° |
| C66 | C64 | C67 | H112 | 177.2° | 60.1° |
| C66 | C64 | N15 | C59 | 55.0° | 62.3° |
| C66 | C64 | C65 | N18 | 94.2° | 157.3° |
| C67 | C64 | C65 | O16 | 29.5° | 97.3° |
| C67 | C64 | C66 | H107 | 64.8° | 60.0° |
| C67 | C64 | C66 | H108 | 175.2° | 60.0° |
| C67 | C64 | C66 | H109 | 55.2° | 180.0° |
| C64 | C67 | H110 | H111 | 120.0° | 120.0° |
| C64 | C67 | H110 | H112 | 120.0° | 119.9° |
| C64 | C67 | H111 | H112 | 120.0° | 120.0° |
| C67 | C64 | N15 | C59 | 171.3° | 57.8° |
| C67 | C64 | C65 | N18 | 149.8° | 82.8° |
| O16 | C65 | N18 | C76 | 0.5° | 5.0° |
| O16 | C65 | N18 | H138 | 179.5° | 175.1° |
| H107 | C66 | H108 | H109 | 120.0° | 120.0° |
| H110 | C67 | H111 | H112 | 120.0° | 120.0° |
| C68 | N16 | C74 | C75 | 153.0° | 122.6° |
| N16 | C68 | C69 | H113 | 120.3° | 120.3° |
| N16 | C68 | C69 | H114 | 120.4° | 120.4° |
| N16 | C68 | H113 | H114 | 118.9° | 119.4° |
| N16 | C68 | C69 | C70 | 46.3° | 52.6° |
| N16 | C68 | C69 | H115 | 73.9° | 173.0° |
| N16 | C68 | C69 | H116 | 166.5° | 67.6° |
| C68 | N16 | C74 | N17 | 39.2° | 64.9° |
| C68 | N16 | C74 | C73 | 178.2° | 177.3° |
| C68 | N16 | C74 | H125 | 72.0° | 56.4° |
| C68 | N16 | C75 | C76 | 50.2° | 66.1° |
| C68 | N16 | C75 | H126 | 170.4° | 53.9° |
| C68 | N16 | C75 | H127 | 69.9° | 173.9° |
| C74 | N16 | C68 | C69 | 5.6° | 57.8° |
| C74 | N16 | C68 | H113 | 125.9° | 62.6° |
| C74 | N16 | C68 | H114 | 114.8° | 178.1° |
| N16 | C74 | N17 | C70 | 40.2° | 69.4° |
| N16 | C74 | N17 | C71 | 166.0° | 163.9° |
| N16 | C74 | N17 | C73 | 142.2° | 120.0° |
| N16 | C74 | N17 | H125 | 111.0° | 121.2° |
| N16 | C74 | C73 | C72 | 165.7° | 155.4° |
| N16 | C74 | C73 | H125 | 110.5° | 125.9° |
| N16 | C74 | C73 | H123 | 76.6° | 86.4° |
| N16 | C74 | C73 | H124 | 48.0° | 37.3° |
| C74 | N16 | C75 | C76 | 103.3° | 172.4° |
| C74 | N16 | C75 | H126 | 16.8° | 67.6° |
| C74 | N16 | C75 | H127 | 136.6° | 52.4° |
| C75 | N16 | C68 | C69 | 148.6° | 179.6° |
| C75 | N16 | C68 | H113 | 28.2° | 60.1° |
| C75 | N16 | C68 | H114 | 91.1° | 59.3° |
| C75 | N16 | C74 | N17 | 167.8° | 172.5° |
| C75 | N16 | C74 | C73 | 28.8° | 60.0° |
| C75 | N16 | C74 | H125 | 81.0° | 66.2° |
| N16 | C75 | C76 | H126 | 120.2° | 120.0° |
| N16 | C75 | C76 | H127 | 120.2° | 120.0° |
| N16 | C75 | H126 | H127 | 119.6° | 119.9° |
| N16 | C75 | C76 | C77 | 169.2° | 65.4° |
| N16 | C75 | C76 | N18 | 55.0° | 174.7° |
| N16 | C75 | C76 | H128 | 56.5° | 54.6° |
| C69 | C68 | H113 | H114 | 118.9° | 119.3° |
| C68 | C69 | C70 | H115 | 120.1° | 120.3° |
| C68 | C69 | C70 | H116 | 120.2° | 120.3° |
| C68 | C69 | H115 | H116 | 119.5° | 119.5° |
| C68 | C69 | C70 | N17 | 45.6° | 54.8° |
| C68 | C69 | C70 | H117 | 165.8° | 64.7° |
| C68 | C69 | C70 | H118 | 74.5° | 174.3° |
| H113 | C68 | C69 | C70 | 166.6° | 67.7° |
| H113 | C68 | C69 | H115 | 46.5° | 52.7° |
| H113 | C68 | C69 | H116 | 73.2° | 172.1° |
| H114 | C68 | C69 | C70 | 74.1° | 173.0° |
| H114 | C68 | C69 | H115 | 165.8° | 66.7° |
| H114 | C68 | C69 | H116 | 46.1° | 52.7° |
| C70 | C69 | H115 | H116 | 119.5° | 119.5° |
| C69 | C70 | N17 | H117 | 120.2° | 119.5° |
| C69 | C70 | N17 | H118 | 120.1° | 119.5° |
| C69 | C70 | H117 | H118 | 119.5° | 121.0° |
| C69 | C70 | N17 | C71 | 147.9° | 177.1° |
| C69 | C70 | N17 | C74 | 4.2° | 63.2° |
| H115 | C69 | C70 | N17 | 74.5° | 175.1° |
| H115 | C69 | C70 | H117 | 45.6° | 55.6° |
| H115 | C69 | C70 | H118 | 165.3° | 65.4° |
| H116 | C69 | C70 | N17 | 165.8° | 65.5° |
| H116 | C69 | C70 | H117 | 74.0° | 175.0° |
| H116 | C69 | C70 | H118 | 45.6° | 54.0° |
| N17 | C70 | H117 | H118 | 119.5° | 121.0° |
| C70 | N17 | C71 | C74 | 153.9° | 121.8° |
| C70 | N17 | C71 | C72 | 164.3° | 151.3° |
| C70 | N17 | C71 | H119 | 45.0° | 32.2° |
| C70 | N17 | C71 | H120 | 76.4° | 89.6° |
| C70 | N17 | C74 | C73 | 177.6° | 170.6° |
| C70 | N17 | C74 | H125 | 70.8° | 51.8° |
| H117 | C70 | N17 | C71 | 27.7° | 63.4° |
| H117 | C70 | N17 | C74 | 124.4° | 56.3° |
| H118 | C70 | N17 | C71 | 92.0° | 57.6° |
| H118 | C70 | N17 | C74 | 115.9° | 177.3° |
| N17 | C71 | C72 | H119 | 119.3° | 119.1° |
| N17 | C71 | C72 | H120 | 119.3° | 119.1° |
| N17 | C71 | H119 | H120 | 122.0° | 121.7° |
| N17 | C71 | C72 | C73 | 6.3° | 3.7° |
| N17 | C71 | C72 | H121 | 113.5° | 122.6° |
| N17 | C71 | C72 | H122 | 126.1° | 115.2° |
| C71 | N17 | C74 | C73 | 23.8° | 43.9° |
| C71 | N17 | C74 | H125 | 83.0° | 74.9° |
| C74 | N17 | C71 | C72 | 10.5° | 29.5° |
| C74 | N17 | C71 | H119 | 108.8° | 89.6° |
| C74 | N17 | C71 | H120 | 129.8° | 148.6° |
| N17 | C74 | C73 | C72 | 24.1° | 39.9° |
| N17 | C74 | C73 | H125 | 107.9° | 118.5° |
| N17 | C74 | C73 | H123 | 141.8° | 158.1° |
| N17 | C74 | C73 | H124 | 93.6° | 78.3° |
| C72 | C71 | H119 | H120 | 122.1° | 121.8° |
| C71 | C72 | C73 | H121 | 119.8° | 118.8° |
| C71 | C72 | C73 | H122 | 119.8° | 118.8° |
| C71 | C72 | H121 | H122 | 120.5° | 122.1° |
| C71 | C72 | C73 | C74 | 17.2° | 22.2° |
| C71 | C72 | C73 | H123 | 134.9° | 140.4° |
| C71 | C72 | C73 | H124 | 100.5° | 96.0° |
| H119 | C71 | C72 | C73 | 125.6° | 115.4° |
| H119 | C71 | C72 | H121 | 5.8° | 3.5° |
| H119 | C71 | C72 | H122 | 114.6° | 125.7° |
| H120 | C71 | C72 | C73 | 113.0° | 122.8° |
| H120 | C71 | C72 | H121 | 127.1° | 118.3° |
| H120 | C71 | C72 | H122 | 6.8° | 3.9° |
| C73 | C72 | H121 | H122 | 120.5° | 122.3° |
| C72 | C73 | C74 | H123 | 117.7° | 118.2° |
| C72 | C73 | C74 | H124 | 117.7° | 118.2° |
| C72 | C73 | H123 | H124 | 126.4° | 123.6° |
| C72 | C73 | C74 | H125 | 83.8° | 78.6° |
| H121 | C72 | C73 | C74 | 102.6° | 96.7° |
| H121 | C72 | C73 | H123 | 15.1° | 21.6° |
| H121 | C72 | C73 | H124 | 139.7° | 145.1° |
| H122 | C72 | C73 | C74 | 137.0° | 141.0° |
| H122 | C72 | C73 | H123 | 105.3° | 100.8° |
| H122 | C72 | C73 | H124 | 19.4° | 22.8° |
| C74 | C73 | H123 | H124 | 126.4° | 123.7° |
| H123 | C73 | C74 | H125 | 33.9° | 39.6° |
| H124 | C73 | C74 | H125 | 158.5° | 163.2° |
| C76 | C75 | H126 | H127 | 119.5° | 120.1° |
| C75 | C76 | C77 | N18 | 132.5° | 119.9° |
| C75 | C76 | C77 | H128 | 112.8° | 120.1° |
| C75 | C76 | N18 | H128 | 110.2° | 120.1° |
| C75 | C76 | C77 | C78 | 128.2° | 173.4° |
| C75 | C76 | C77 | H129 | 111.1° | 66.6° |
| C75 | C76 | C77 | H130 | 7.4° | 53.4° |
| C75 | C76 | N18 | H138 | 6.2° | 91.0° |
| C75 | C76 | N18 | C65 | 173.8° | 89.1° |
| H126 | C75 | C76 | C77 | 70.6° | 174.6° |
| H126 | C75 | C76 | N18 | 65.2° | 54.7° |
| H126 | C75 | C76 | H128 | 176.6° | 65.3° |
| H127 | C75 | C76 | C77 | 49.1° | 54.6° |
| H127 | C75 | C76 | N18 | 175.2° | 65.4° |
| H127 | C75 | C76 | H128 | 63.7° | 174.6° |
| C77 | C76 | N18 | H128 | 113.7° | 120.0° |
| C76 | C77 | C78 | H129 | 120.8° | 120.1° |
| C76 | C77 | C78 | H130 | 120.8° | 120.0° |
| C76 | C77 | H129 | H130 | 117.6° | 120.0° |
| C76 | C77 | C78 | C79 | 1.6° | 67.6° |
| C76 | C77 | C78 | C80 | 139.3° | 172.5° |
| C76 | C77 | C78 | H131 | 110.6° | 52.4° |
| C77 | C76 | N18 | H138 | 130.0° | 29.0° |
| C77 | C76 | N18 | C65 | 50.0° | 150.9° |
| N18 | C76 | C77 | C78 | 99.4° | 66.7° |
| N18 | C76 | C77 | H129 | 21.4° | 53.4° |
| N18 | C76 | C77 | H130 | 139.9° | 173.3° |
| C76 | N18 | H138 | C65 | 180.0° | 179.9° |
| H128 | C76 | C77 | C78 | 15.4° | 53.3° |
| H128 | C76 | C77 | H129 | 136.2° | 173.4° |
| H128 | C76 | C77 | H130 | 105.4° | 66.7° |
| H128 | C76 | N18 | H138 | 116.4° | 149.0° |
| H128 | C76 | N18 | C65 | 63.6° | 30.9° |
| C78 | C77 | H129 | H130 | 117.6° | 120.0° |
| C77 | C78 | C79 | C80 | 142.1° | 120.0° |
| C77 | C78 | C79 | H131 | 108.9° | 120.0° |
| C77 | C78 | C80 | H131 | 109.9° | 120.1° |
| C77 | C78 | C79 | H132 | 180.0° | 178.2° |
| C77 | C78 | C79 | H133 | 60.0° | 61.8° |
| C77 | C78 | C79 | H134 | 60.0° | 58.1° |
| C77 | C78 | C80 | H135 | 180.0° | 60.0° |
| C77 | C78 | C80 | H136 | 60.0° | 180.0° |
| C77 | C78 | C80 | H137 | 60.0° | 59.9° |
| H129 | C77 | C78 | C79 | 122.4° | 52.5° |
| H129 | C77 | C78 | C80 | 18.6° | 67.4° |
| H129 | C77 | C78 | H131 | 128.7° | 172.5° |
| H130 | C77 | C78 | C79 | 119.1° | 172.5° |
| H130 | C77 | C78 | C80 | 99.9° | 52.5° |
| H130 | C77 | C78 | H131 | 10.2° | 67.5° |
| C79 | C78 | C80 | H131 | 108.8° | 120.0° |
| C78 | C79 | H132 | H133 | 120.0° | 119.9° |
| C78 | C79 | H132 | H134 | 120.0° | 120.1° |
| C78 | C79 | H133 | H134 | 120.0° | 120.0° |
| C79 | C78 | C80 | H135 | 38.8° | 180.0° |
| C79 | C78 | C80 | H136 | 81.2° | 60.1° |
| C79 | C78 | C80 | H137 | 158.7° | 60.0° |
| C80 | C78 | C79 | H132 | 37.9° | 58.2° |
| C80 | C78 | C79 | H133 | 157.9° | 178.2° |
| C80 | C78 | C79 | H134 | 82.1° | 61.9° |
| C78 | C80 | H135 | H136 | 120.0° | 120.0° |
| C78 | C80 | H135 | H137 | 120.0° | 120.0° |
| C78 | C80 | H136 | H137 | 120.0° | 120.1° |
| H131 | C78 | C79 | H132 | 71.1° | 61.8° |
| H131 | C78 | C79 | H133 | 49.0° | 58.2° |
| H131 | C78 | C79 | H134 | 168.9° | 178.1° |
| H131 | C78 | C80 | H135 | 70.1° | 60.0° |
| H131 | C78 | C80 | H136 | 170.0° | 59.9° |
| H131 | C78 | C80 | H137 | 49.9° | 180.0° |
| H132 | C79 | H133 | H134 | 120.0° | 120.0° |
| H135 | C80 | H136 | H137 | 120.0° | 119.9° |
