PRD_002442
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C5 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | doub | 1.34Å | 1.41Å | |
| N1 | C8 | sing | 1.40Å | 1.42Å | |
| C8 | C6 | sing | 1.48Å | 1.41Å | |
| C6 | O2 | doub | 1.22Å | 1.24Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | C11 | sing | 1.46Å | 1.45Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.46Å | 1.47Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| N4 | C18 | sing | 1.47Å | 1.45Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C22 | sing | 1.51Å | 1.53Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | doub | 1.21Å | 1.23Å | |
| N5 | C23 | sing | 1.46Å | 1.45Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C27 | sing | 1.51Å | 1.53Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| 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 | O6 | doub | 1.21Å | 1.23Å | |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| C30 | O8 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| N6 | C29 | sing | 1.46Å | 1.46Å | |
| C29 | C31 | sing | 1.51Å | 1.52Å | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | O7 | sing | 1.36Å | 1.36Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| C33 | H50 | sing | 1.08Å | 1.08Å | |
| C35 | H51 | sing | 1.08Å | 1.08Å | |
| C36 | H52 | sing | 1.08Å | 1.08Å | |
| N6 | H53 | sing | 0.97Å | 1.00Å | |
| O7 | H54 | sing | 0.97Å | 0.95Å | |
| C28 | H55 | sing | 1.09Å | 1.10Å | |
| N7 | C37 | sing | 1.46Å | 1.46Å | |
| N7 | H56 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | C41 | sing | 1.51Å | 1.53Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | O9 | doub | 1.21Å | 1.23Å | |
| C43 | C45 | sing | 1.51Å | 1.50Å | |
| C45 | C46 | sing | 1.51Å | 1.50Å | |
| C45 | C44 | doub | 1.33Å | 1.41Å | |
| N8 | C44 | sing | 1.40Å | 1.42Å | |
| C44 | C42 | sing | 1.48Å | 1.42Å | |
| C42 | O10 | doub | 1.22Å | 1.24Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| N8 | H68 | sing | 0.97Å | 1.00Å | |
| C46 | H69 | sing | 1.09Å | 1.10Å | |
| C46 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| N9 | C47 | sing | 1.47Å | 1.46Å | |
| N9 | H72 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | C52 | sing | 1.51Å | 1.53Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.51Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| C49 | H77 | sing | 1.09Å | 1.10Å | |
| C50 | N10 | sing | 1.46Å | 1.46Å | |
| C50 | H78 | sing | 1.09Å | 1.10Å | |
| C50 | H79 | sing | 1.09Å | 1.10Å | |
| N10 | C51 | sing | 1.37Å | 1.33Å | |
| N10 | H80 | sing | 0.97Å | 1.00Å | |
| C51 | N11 | sing | 1.33Å | 1.32Å | |
| C51 | N12 | doub | 1.33Å | 1.32Å | |
| N11 | H81 | sing | 0.97Å | 1.00Å | |
| N11 | H82 | sing | 0.97Å | 1.00Å | |
| N12 | H83 | sing | 0.97Å | 1.00Å | |
| N12 | H84 | sing | 0.97Å | 1.00Å | |
| C52 | O11 | doub | 1.21Å | 1.23Å | |
| N13 | C53 | sing | 1.47Å | 1.45Å | |
| N13 | H85 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.53Å | |
| C53 | C55 | sing | 1.53Å | 1.55Å | |
| C53 | H86 | sing | 1.09Å | 1.10Å | |
| C54 | O12 | doub | 1.21Å | 1.23Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | C57 | sing | 1.53Å | 1.52Å | |
| C55 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C56 | H89 | sing | 1.09Å | 1.10Å | |
| C56 | H90 | sing | 1.09Å | 1.10Å | |
| C57 | H91 | sing | 1.09Å | 1.10Å | |
| C57 | H92 | sing | 1.09Å | 1.10Å | |
| C57 | H93 | sing | 1.09Å | 1.10Å | |
| N14 | C58 | sing | 1.46Å | 1.45Å | |
| N14 | H94 | sing | 0.97Å | 1.00Å | |
| C58 | C59 | sing | 1.53Å | 1.54Å | |
| C58 | C62 | sing | 1.51Å | 1.53Å | |
| C58 | H95 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | H96 | sing | 1.09Å | 1.10Å | |
| C60 | H97 | sing | 1.09Å | 1.10Å | |
| C60 | H98 | sing | 1.09Å | 1.10Å | |
| C60 | H99 | sing | 1.09Å | 1.10Å | |
| C61 | H100 | sing | 1.09Å | 1.10Å | |
| C61 | H101 | sing | 1.09Å | 1.10Å | |
| C61 | H102 | sing | 1.09Å | 1.10Å | |
| C62 | O13 | doub | 1.21Å | 1.23Å | |
| O14 | C64 | doub | 1.22Å | 1.24Å | |
| C64 | C63 | sing | 1.47Å | 1.42Å | |
| C68 | C66 | sing | 1.53Å | 1.49Å | |
| C66 | C65 | sing | 1.51Å | 1.51Å | |
| C63 | C65 | doub | 1.34Å | 1.40Å | |
| C63 | N15 | sing | 1.40Å | 1.42Å | |
| C65 | C67 | sing | 1.51Å | 1.50Å | |
| N15 | H103 | sing | 0.97Å | 1.00Å | |
| C66 | H104 | sing | 1.09Å | 1.10Å | |
| C66 | H105 | sing | 1.09Å | 1.10Å | |
| C67 | H106 | sing | 1.09Å | 1.10Å | |
| C67 | H107 | sing | 1.09Å | 1.10Å | |
| C67 | H108 | sing | 1.09Å | 1.10Å | |
| C68 | H109 | sing | 1.09Å | 1.10Å | |
| C68 | H110 | sing | 1.09Å | 1.10Å | |
| C68 | H111 | sing | 1.09Å | 1.10Å | |
| N16 | C69 | sing | 1.47Å | 1.46Å | |
| N16 | H112 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.53Å | 1.52Å | |
| C69 | C71 | sing | 1.51Å | 1.53Å | |
| C69 | H113 | sing | 1.09Å | 1.10Å | |
| C70 | H114 | sing | 1.09Å | 1.10Å | |
| C70 | H115 | sing | 1.09Å | 1.10Å | |
| C70 | H116 | sing | 1.09Å | 1.10Å | |
| C71 | O15 | doub | 1.21Å | 1.23Å | |
| N17 | C72 | sing | 1.46Å | 1.45Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | C76 | sing | 1.51Å | 1.53Å | |
| C73 | C74 | sing | 1.53Å | 1.52Å | |
| C73 | C75 | sing | 1.53Å | 1.52Å | |
| C73 | O16 | sing | 1.43Å | 1.43Å | |
| C76 | O17 | doub | 1.21Å | 1.23Å | |
| N17 | H117 | sing | 0.97Å | 1.00Å | |
| C72 | H118 | sing | 1.09Å | 1.10Å | |
| C74 | H119 | sing | 1.09Å | 1.10Å | |
| C74 | H120 | sing | 1.09Å | 1.10Å | |
| C74 | H121 | sing | 1.09Å | 1.10Å | |
| C75 | H122 | sing | 1.09Å | 1.10Å | |
| C75 | H123 | sing | 1.09Å | 1.10Å | |
| C75 | H124 | sing | 1.09Å | 1.10Å | |
| O16 | H125 | sing | 0.97Å | 0.95Å | |
| N18 | C77 | sing | 1.46Å | 1.46Å | |
| N18 | H126 | sing | 0.97Å | 1.00Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | H127 | sing | 1.09Å | 1.10Å | |
| C77 | H128 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.52Å | |
| C78 | H129 | sing | 1.09Å | 1.10Å | |
| C78 | H130 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.53Å | 1.52Å | |
| C79 | H131 | sing | 1.09Å | 1.10Å | |
| C79 | H132 | sing | 1.09Å | 1.10Å | |
| C80 | N19 | sing | 1.46Å | 1.45Å | |
| C80 | H133 | sing | 1.09Å | 1.10Å | |
| C80 | H134 | sing | 1.09Å | 1.10Å | |
| N19 | C81 | sing | 1.37Å | 1.33Å | |
| N19 | H135 | sing | 0.97Å | 1.00Å | |
| C81 | N20 | doub | 1.30Å | 1.32Å | |
| C81 | N21 | sing | 1.38Å | 1.32Å | |
| N20 | H136 | sing | 0.97Å | 1.00Å | |
| N21 | H137 | sing | 0.97Å | 1.00Å | |
| N21 | H138 | sing | 0.97Å | 1.00Å | |
| C5 | N1 | sing | 1.35Å | 1.36Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | N3 | sing | 1.35Å | 1.35Å | |
| C17 | N4 | sing | 1.35Å | 1.33Å | |
| C22 | N5 | sing | 1.35Å | 1.34Å | |
| C27 | N6 | sing | 1.35Å | 1.34Å | |
| C30 | N7 | sing | 1.35Å | 1.33Å | |
| C41 | N8 | sing | 1.35Å | 1.35Å | |
| C42 | N9 | sing | 1.35Å | 1.34Å | |
| C52 | N13 | sing | 1.35Å | 1.34Å | |
| C54 | N14 | sing | 1.35Å | 1.34Å | |
| C62 | N15 | sing | 1.35Å | 1.35Å | |
| C64 | N16 | sing | 1.35Å | 1.34Å | |
| C71 | N17 | sing | 1.35Å | 1.34Å | |
| C76 | N18 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 115.6° | 109.4° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| C2 | C1 | H2 | 107.9° | 109.4° |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C1 | C2 | C4 | 111.7° | 109.4° |
| C1 | C2 | H3 | 108.0° | 109.5° |
| C5 | C1 | H1 | 107.9° | 109.5° |
| C5 | C1 | H2 | 107.9° | 109.5° |
| C1 | C5 | O1 | 121.9° | 120.0° |
| C1 | C5 | N1 | 114.7° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| C3 | C2 | C4 | 110.4° | 109.5° |
| C3 | C2 | H3 | 108.1° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C4 | C2 | H3 | 108.0° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.4° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H6 | 109.4° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H9 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| O1 | C5 | N1 | 123.4° | 120.0° |
| C7 | C9 | C10 | 113.7° | 120.0° |
| C7 | C9 | C8 | 121.7° | 120.0° |
| C9 | C7 | H10 | 109.5° | 109.5° |
| C9 | C7 | H11 | 109.5° | 109.5° |
| C9 | C7 | H12 | 109.5° | 109.5° |
| C10 | C9 | C8 | 124.6° | 120.0° |
| C9 | C10 | H14 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C8 | N1 | 117.7° | 120.0° |
| C9 | C8 | C6 | 125.1° | 120.0° |
| N1 | C8 | C6 | 117.1° | 120.0° |
| C8 | N1 | H13 | 117.7° | 120.0° |
| C8 | N1 | C5 | 124.6° | 120.0° |
| C8 | C6 | O2 | 121.0° | 120.0° |
| C8 | C6 | N2 | 117.1° | 120.0° |
| O2 | C6 | N2 | 121.9° | 120.0° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | N1 | C5 | 117.7° | 120.0° |
| H14 | C10 | H15 | 109.4° | 109.5° |
| H14 | C10 | H16 | 109.4° | 109.4° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| C11 | N2 | H17 | 119.5° | 120.0° |
| N2 | C11 | C12 | 112.6° | 109.5° |
| N2 | C11 | C13 | 110.0° | 109.5° |
| N2 | C11 | H18 | 108.5° | 109.5° |
| C11 | N2 | C6 | 120.9° | 120.0° |
| H17 | N2 | C6 | 119.5° | 120.0° |
| C12 | C11 | C13 | 110.6° | 109.4° |
| C12 | C11 | H18 | 107.5° | 109.5° |
| C11 | C12 | O3 | 118.4° | 120.0° |
| C11 | C12 | N3 | 119.4° | 120.0° |
| C13 | C11 | H18 | 107.5° | 109.5° |
| C11 | C13 | H19 | 109.5° | 109.5° |
| C11 | C13 | H20 | 109.4° | 109.5° |
| C11 | C13 | H21 | 109.5° | 109.5° |
| O3 | C12 | N3 | 122.3° | 120.0° |
| H19 | C13 | H20 | 109.5° | 109.4° |
| H19 | C13 | H21 | 109.4° | 109.4° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| C14 | N3 | C15 | 117.2° | 120.0° |
| N3 | C14 | H22 | 109.5° | 109.4° |
| N3 | C14 | H23 | 109.5° | 109.5° |
| N3 | C14 | H24 | 109.4° | 109.5° |
| C14 | N3 | C12 | 120.4° | 120.0° |
| N3 | C15 | C16 | 109.7° | 109.5° |
| N3 | C15 | C17 | 111.9° | 109.5° |
| N3 | C15 | H25 | 108.7° | 109.5° |
| C15 | N3 | C12 | 122.4° | 120.0° |
| H22 | C14 | H23 | 109.5° | 109.4° |
| H22 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| C16 | C15 | C17 | 110.4° | 109.4° |
| C16 | C15 | H25 | 108.0° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.5° |
| C17 | C15 | H25 | 107.9° | 109.4° |
| C15 | C17 | O4 | 121.3° | 120.0° |
| C15 | C17 | N4 | 117.3° | 120.0° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H26 | C16 | H28 | 109.4° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| O4 | C17 | N4 | 121.4° | 120.0° |
| C18 | N4 | H29 | 121.0° | 120.0° |
| N4 | C18 | C19 | 110.8° | 109.4° |
| N4 | C18 | C22 | 112.9° | 109.5° |
| N4 | C18 | H30 | 107.4° | 109.5° |
| C18 | N4 | C17 | 117.9° | 120.0° |
| H29 | N4 | C17 | 121.0° | 120.0° |
| C19 | C18 | C22 | 112.4° | 109.5° |
| C19 | C18 | H30 | 106.4° | 109.5° |
| C18 | C19 | C20 | 110.8° | 109.5° |
| C18 | C19 | C21 | 110.4° | 109.5° |
| C18 | C19 | H31 | 108.0° | 109.4° |
| C22 | C18 | H30 | 106.5° | 109.5° |
| C18 | C22 | O5 | 120.4° | 120.0° |
| C18 | C22 | N5 | 116.3° | 120.0° |
| C20 | C19 | C21 | 111.0° | 109.5° |
| C20 | C19 | H31 | 108.2° | 109.4° |
| C19 | C20 | H32 | 109.5° | 109.4° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C21 | C19 | H31 | 108.2° | 109.5° |
| C19 | C21 | H35 | 109.5° | 109.4° |
| C19 | C21 | H36 | 109.5° | 109.5° |
| C19 | C21 | H37 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H34 | 109.4° | 109.4° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.4° | 109.5° |
| H35 | C21 | H37 | 109.4° | 109.4° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| O5 | C22 | N5 | 123.2° | 120.0° |
| C23 | N5 | H38 | 118.3° | 120.0° |
| N5 | C23 | C24 | 109.4° | 109.5° |
| N5 | C23 | C27 | 108.2° | 109.5° |
| N5 | C23 | H39 | 110.1° | 109.4° |
| C23 | N5 | C22 | 123.5° | 120.0° |
| H38 | N5 | C22 | 118.3° | 120.0° |
| C24 | C23 | C27 | 111.3° | 109.5° |
| C24 | C23 | H39 | 108.8° | 109.5° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C23 | C24 | C26 | 112.4° | 109.5° |
| C23 | C24 | H40 | 107.0° | 109.5° |
| C27 | C23 | H39 | 109.0° | 109.5° |
| C23 | C27 | O6 | 120.0° | 120.0° |
| C23 | C27 | N6 | 116.7° | 120.0° |
| C25 | C24 | C26 | 110.7° | 109.5° |
| C25 | C24 | H40 | 107.3° | 109.5° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.5° | 109.4° |
| C24 | C25 | H43 | 109.5° | 109.5° |
| C26 | C24 | H40 | 107.4° | 109.4° |
| C24 | C26 | H44 | 109.5° | 109.5° |
| C24 | C26 | H45 | 109.5° | 109.5° |
| 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° | 109.4° |
| H44 | C26 | H45 | 109.5° | 109.5° |
| H44 | C26 | H46 | 109.5° | 109.4° |
| H45 | C26 | H46 | 109.5° | 109.4° |
| O6 | C27 | N6 | 123.2° | 120.0° |
| C28 | C30 | O8 | 120.5° | 119.9° |
| C30 | C28 | C29 | 115.5° | 109.5° |
| C30 | C28 | H47 | 107.9° | 109.5° |
| C30 | C28 | H55 | 107.9° | 109.4° |
| C28 | C30 | N7 | 116.6° | 120.0° |
| O8 | C30 | N7 | 122.8° | 120.0° |
| C28 | C29 | N6 | 111.0° | 109.4° |
| C28 | C29 | C31 | 107.9° | 109.4° |
| C29 | C28 | H47 | 107.9° | 109.5° |
| C28 | C29 | H48 | 107.7° | 109.5° |
| C29 | C28 | H55 | 107.9° | 109.5° |
| N6 | C29 | C31 | 113.5° | 109.4° |
| N6 | C29 | H48 | 108.6° | 109.5° |
| C29 | N6 | H53 | 118.6° | 120.1° |
| C29 | N6 | C27 | 122.8° | 120.0° |
| C29 | C31 | C32 | 121.6° | 119.9° |
| C29 | C31 | C36 | 120.4° | 119.9° |
| C31 | C29 | H48 | 107.9° | 109.5° |
| C31 | C32 | C33 | 121.3° | 120.0° |
| C32 | C31 | C36 | 117.9° | 120.2° |
| C31 | C32 | H49 | 119.3° | 120.0° |
| C32 | C33 | C34 | 119.9° | 119.9° |
| C33 | C32 | H49 | 119.4° | 119.9° |
| C32 | C33 | H50 | 120.0° | 120.1° |
| C31 | C36 | C35 | 121.5° | 120.0° |
| C31 | C36 | H52 | 119.2° | 120.0° |
| C33 | C34 | C35 | 119.6° | 119.9° |
| C33 | C34 | O7 | 119.8° | 120.1° |
| C34 | C33 | H50 | 120.0° | 120.0° |
| C36 | C35 | C34 | 119.7° | 120.0° |
| C36 | C35 | H51 | 120.1° | 120.0° |
| C35 | C36 | H52 | 119.3° | 120.0° |
| C35 | C34 | O7 | 120.5° | 120.0° |
| C34 | C35 | H51 | 120.1° | 120.1° |
| C34 | O7 | H54 | 109.5° | 114.0° |
| H47 | C28 | H55 | 109.5° | 109.4° |
| H53 | N6 | C27 | 118.6° | 120.0° |
| C37 | N7 | H56 | 118.1° | 120.0° |
| N7 | C37 | C38 | 110.9° | 109.5° |
| N7 | C37 | C41 | 112.8° | 109.5° |
| N7 | C37 | H57 | 107.7° | 109.5° |
| C37 | N7 | C30 | 123.8° | 120.0° |
| H56 | N7 | C30 | 118.1° | 120.0° |
| C38 | C37 | C41 | 111.7° | 109.5° |
| C38 | C37 | H57 | 106.6° | 109.4° |
| C37 | C38 | C39 | 111.6° | 109.5° |
| C37 | C38 | C40 | 111.8° | 109.5° |
| C37 | C38 | H58 | 107.3° | 109.4° |
| C41 | C37 | H57 | 106.8° | 109.5° |
| C37 | C41 | O9 | 120.8° | 120.0° |
| C37 | C41 | N8 | 116.7° | 120.0° |
| C39 | C38 | C40 | 110.6° | 109.5° |
| C39 | C38 | H58 | 107.6° | 109.5° |
| C38 | C39 | H59 | 109.5° | 109.5° |
| C38 | C39 | H60 | 109.5° | 109.5° |
| C38 | C39 | H61 | 109.5° | 109.5° |
| C40 | C38 | H58 | 107.6° | 109.5° |
| C38 | C40 | H62 | 109.5° | 109.5° |
| C38 | C40 | H63 | 109.5° | 109.4° |
| C38 | C40 | H64 | 109.4° | 109.4° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| H59 | C39 | H61 | 109.5° | 109.4° |
| H60 | C39 | H61 | 109.5° | 109.5° |
| H62 | C40 | H63 | 109.4° | 109.5° |
| H62 | C40 | H64 | 109.5° | 109.5° |
| H63 | C40 | H64 | 109.5° | 109.4° |
| O9 | C41 | N8 | 122.4° | 120.0° |
| C43 | C45 | C46 | 113.6° | 120.0° |
| C43 | C45 | C44 | 120.9° | 120.0° |
| C45 | C43 | H65 | 109.5° | 109.5° |
| C45 | C43 | H66 | 109.5° | 109.4° |
| C45 | C43 | H67 | 109.5° | 109.4° |
| C46 | C45 | C44 | 125.6° | 120.0° |
| C45 | C46 | H69 | 109.5° | 109.5° |
| C45 | C46 | H70 | 109.4° | 109.5° |
| C45 | C46 | H71 | 109.5° | 109.5° |
| C45 | C44 | N8 | 114.6° | 120.0° |
| C45 | C44 | C42 | 128.0° | 120.0° |
| N8 | C44 | C42 | 117.4° | 120.0° |
| C44 | N8 | H68 | 118.0° | 120.0° |
| C44 | N8 | C41 | 124.0° | 120.0° |
| C44 | C42 | O10 | 120.6° | 120.0° |
| C44 | C42 | N9 | 117.9° | 120.0° |
| O10 | C42 | N9 | 121.5° | 120.0° |
| H65 | C43 | H66 | 109.5° | 109.5° |
| H65 | C43 | H67 | 109.4° | 109.5° |
| H66 | C43 | H67 | 109.5° | 109.4° |
| H68 | N8 | C41 | 118.0° | 120.0° |
| H69 | C46 | H70 | 109.5° | 109.4° |
| H69 | C46 | H71 | 109.4° | 109.4° |
| H70 | C46 | H71 | 109.5° | 109.5° |
| C47 | N9 | H72 | 119.8° | 120.0° |
| N9 | C47 | C48 | 112.9° | 109.4° |
| N9 | C47 | C52 | 116.2° | 109.4° |
| N9 | C47 | H73 | 104.9° | 109.5° |
| C47 | N9 | C42 | 120.4° | 120.0° |
| H72 | N9 | C42 | 119.8° | 120.0° |
| C48 | C47 | C52 | 113.0° | 109.5° |
| C48 | C47 | H73 | 104.2° | 109.5° |
| C47 | C48 | C49 | 113.9° | 109.5° |
| C47 | C48 | H74 | 108.3° | 109.5° |
| C47 | C48 | H75 | 108.4° | 109.5° |
| C52 | C47 | H73 | 104.1° | 109.5° |
| C47 | C52 | O11 | 119.5° | 120.1° |
| C47 | C52 | N13 | 117.7° | 120.0° |
| C49 | C48 | H74 | 108.3° | 109.4° |
| C49 | C48 | H75 | 108.3° | 109.4° |
| C48 | C49 | C50 | 111.6° | 109.5° |
| C48 | C49 | H76 | 108.9° | 109.4° |
| C48 | C49 | H77 | 109.0° | 109.5° |
| H74 | C48 | H75 | 109.5° | 109.5° |
| C50 | C49 | H76 | 109.0° | 109.5° |
| C50 | C49 | H77 | 108.9° | 109.5° |
| C49 | C50 | N10 | 113.1° | 109.5° |
| C49 | C50 | H78 | 108.5° | 109.5° |
| C49 | C50 | H79 | 108.6° | 109.5° |
| H76 | C49 | H77 | 109.5° | 109.4° |
| N10 | C50 | H78 | 108.6° | 109.4° |
| N10 | C50 | H79 | 108.6° | 109.5° |
| C50 | N10 | C51 | 124.5° | 120.0° |
| C50 | N10 | H80 | 117.7° | 120.0° |
| H78 | C50 | H79 | 109.5° | 109.4° |
| C51 | N10 | H80 | 117.8° | 120.0° |
| N10 | C51 | N11 | 119.7° | 120.0° |
| N10 | C51 | N12 | 120.2° | 120.0° |
| N11 | C51 | N12 | 120.1° | 120.0° |
| C51 | N11 | H81 | 120.0° | 120.0° |
| C51 | N11 | H82 | 120.0° | 120.0° |
| C51 | N12 | H83 | 120.0° | 120.1° |
| C51 | N12 | H84 | 120.0° | 120.0° |
| H81 | N11 | H82 | 120.0° | 120.0° |
| H83 | N12 | H84 | 120.0° | 120.0° |
| O11 | C52 | N13 | 122.7° | 120.0° |
| C53 | N13 | H85 | 119.5° | 120.0° |
| N13 | C53 | C54 | 115.2° | 109.5° |
| N13 | C53 | C55 | 111.9° | 109.5° |
| N13 | C53 | H86 | 106.0° | 109.4° |
| C53 | N13 | C52 | 121.0° | 120.0° |
| H85 | N13 | C52 | 119.5° | 120.0° |
| C54 | C53 | C55 | 112.7° | 109.5° |
| C54 | C53 | H86 | 105.2° | 109.4° |
| C53 | C54 | O12 | 120.1° | 120.0° |
| C53 | C54 | N14 | 117.7° | 120.0° |
| C55 | C53 | H86 | 105.0° | 109.5° |
| C53 | C55 | C56 | 111.3° | 109.5° |
| C53 | C55 | C57 | 111.5° | 109.5° |
| C53 | C55 | H87 | 107.5° | 109.5° |
| O12 | C54 | N14 | 122.3° | 120.0° |
| C56 | C55 | C57 | 110.8° | 109.5° |
| C56 | C55 | H87 | 107.8° | 109.5° |
| C55 | C56 | H88 | 109.5° | 109.4° |
| C55 | C56 | H89 | 109.5° | 109.5° |
| C55 | C56 | H90 | 109.5° | 109.5° |
| C57 | C55 | H87 | 107.8° | 109.4° |
| C55 | C57 | H91 | 109.5° | 109.5° |
| C55 | C57 | H92 | 109.4° | 109.5° |
| C55 | C57 | H93 | 109.5° | 109.4° |
| H88 | C56 | H89 | 109.5° | 109.5° |
| H88 | C56 | H90 | 109.4° | 109.4° |
| H89 | C56 | H90 | 109.5° | 109.5° |
| H91 | C57 | H92 | 109.5° | 109.5° |
| H91 | C57 | H93 | 109.5° | 109.4° |
| H92 | C57 | H93 | 109.5° | 109.5° |
| C58 | N14 | H94 | 119.9° | 120.0° |
| N14 | C58 | C59 | 111.4° | 109.4° |
| N14 | C58 | C62 | 111.4° | 109.5° |
| N14 | C58 | H95 | 108.0° | 109.5° |
| C58 | N14 | C54 | 120.1° | 120.0° |
| H94 | N14 | C54 | 119.9° | 120.0° |
| C59 | C58 | C62 | 111.8° | 109.5° |
| C59 | C58 | H95 | 106.9° | 109.5° |
| C58 | C59 | C60 | 111.1° | 109.5° |
| C58 | C59 | C61 | 111.5° | 109.5° |
| C58 | C59 | H96 | 107.6° | 109.4° |
| C62 | C58 | H95 | 107.1° | 109.4° |
| C58 | C62 | O13 | 120.0° | 120.0° |
| C58 | C62 | N15 | 116.9° | 120.0° |
| C60 | C59 | C61 | 110.8° | 109.5° |
| C60 | C59 | H96 | 107.8° | 109.5° |
| C59 | C60 | H97 | 109.5° | 109.5° |
| C59 | C60 | H98 | 109.5° | 109.5° |
| C59 | C60 | H99 | 109.5° | 109.5° |
| C61 | C59 | H96 | 107.8° | 109.4° |
| C59 | C61 | H100 | 109.5° | 109.5° |
| C59 | C61 | H101 | 109.5° | 109.5° |
| C59 | C61 | H102 | 109.5° | 109.5° |
| H97 | C60 | H98 | 109.5° | 109.4° |
| H97 | C60 | H99 | 109.5° | 109.5° |
| H98 | C60 | H99 | 109.5° | 109.5° |
| H100 | C61 | H101 | 109.4° | 109.5° |
| H100 | C61 | H102 | 109.4° | 109.4° |
| H101 | C61 | H102 | 109.5° | 109.5° |
| O13 | C62 | N15 | 123.1° | 120.0° |
| O14 | C64 | C63 | 120.3° | 120.0° |
| O14 | C64 | N16 | 122.9° | 120.0° |
| C64 | C63 | C65 | 126.3° | 120.0° |
| C64 | C63 | N15 | 116.3° | 120.0° |
| C63 | C64 | N16 | 116.8° | 120.0° |
| C68 | C66 | C65 | 115.9° | 109.5° |
| C68 | C66 | H104 | 107.8° | 109.5° |
| C68 | C66 | H105 | 107.9° | 109.5° |
| C66 | C68 | H109 | 109.5° | 109.5° |
| C66 | C68 | H110 | 109.5° | 109.5° |
| C66 | C68 | H111 | 109.5° | 109.5° |
| C66 | C65 | C63 | 124.9° | 120.0° |
| C66 | C65 | C67 | 113.7° | 120.0° |
| C65 | C66 | H104 | 107.8° | 109.5° |
| C65 | C66 | H105 | 107.9° | 109.5° |
| C65 | C63 | N15 | 117.5° | 120.0° |
| C63 | C65 | C67 | 121.4° | 120.0° |
| C63 | N15 | H103 | 118.0° | 120.0° |
| C63 | N15 | C62 | 123.9° | 120.0° |
| C65 | C67 | H106 | 109.5° | 109.5° |
| C65 | C67 | H107 | 109.5° | 109.5° |
| C65 | C67 | H108 | 109.4° | 109.5° |
| H103 | N15 | C62 | 118.1° | 120.0° |
| H104 | C66 | H105 | 109.5° | 109.4° |
| H106 | C67 | H107 | 109.5° | 109.5° |
| H106 | C67 | H108 | 109.5° | 109.4° |
| H107 | C67 | H108 | 109.5° | 109.5° |
| H109 | C68 | H110 | 109.4° | 109.4° |
| H109 | C68 | H111 | 109.5° | 109.4° |
| H110 | C68 | H111 | 109.5° | 109.5° |
| C69 | N16 | H112 | 118.5° | 120.0° |
| N16 | C69 | C70 | 110.9° | 109.4° |
| N16 | C69 | C71 | 113.2° | 109.4° |
| N16 | C69 | H113 | 108.3° | 109.4° |
| C69 | N16 | C64 | 123.1° | 120.0° |
| H112 | N16 | C64 | 118.4° | 120.0° |
| C70 | C69 | C71 | 109.3° | 109.5° |
| C70 | C69 | H113 | 107.5° | 109.5° |
| C69 | C70 | H114 | 109.5° | 109.5° |
| C69 | C70 | H115 | 109.5° | 109.5° |
| C69 | C70 | H116 | 109.5° | 109.4° |
| C71 | C69 | H113 | 107.4° | 109.5° |
| C69 | C71 | O15 | 120.3° | 120.0° |
| C69 | C71 | N17 | 116.6° | 120.0° |
| H114 | C70 | H115 | 109.5° | 109.5° |
| H114 | C70 | H116 | 109.5° | 109.4° |
| H115 | C70 | H116 | 109.5° | 109.5° |
| O15 | C71 | N17 | 123.1° | 120.0° |
| N17 | C72 | C73 | 110.8° | 109.5° |
| N17 | C72 | C76 | 112.3° | 109.5° |
| C72 | N17 | H117 | 118.8° | 120.0° |
| N17 | C72 | H118 | 107.0° | 109.5° |
| C72 | N17 | C71 | 122.4° | 120.0° |
| C73 | C72 | C76 | 113.9° | 109.4° |
| C72 | C73 | C74 | 110.1° | 109.5° |
| C72 | C73 | C75 | 111.4° | 109.5° |
| C72 | C73 | O16 | 109.2° | 109.5° |
| C73 | C72 | H118 | 106.2° | 109.4° |
| C72 | C76 | O17 | 120.6° | 120.0° |
| C76 | C72 | H118 | 106.1° | 109.5° |
| C72 | C76 | N18 | 116.3° | 120.0° |
| C74 | C73 | C75 | 111.1° | 109.5° |
| C74 | C73 | O16 | 107.3° | 109.4° |
| C73 | C74 | H119 | 109.5° | 109.5° |
| C73 | C74 | H120 | 109.5° | 109.5° |
| C73 | C74 | H121 | 109.5° | 109.4° |
| C75 | C73 | O16 | 107.5° | 109.5° |
| C73 | C75 | H122 | 109.5° | 109.5° |
| C73 | C75 | H123 | 109.5° | 109.4° |
| C73 | C75 | H124 | 109.5° | 109.5° |
| C73 | O16 | H125 | 109.5° | 114.0° |
| O17 | C76 | N18 | 123.0° | 120.0° |
| H117 | N17 | C71 | 118.8° | 120.0° |
| H119 | C74 | H120 | 109.4° | 109.5° |
| H119 | C74 | H121 | 109.5° | 109.5° |
| H120 | C74 | H121 | 109.5° | 109.5° |
| H122 | C75 | H123 | 109.5° | 109.5° |
| H122 | C75 | H124 | 109.5° | 109.5° |
| H123 | C75 | H124 | 109.5° | 109.4° |
| C77 | N18 | H126 | 117.3° | 120.0° |
| N18 | C77 | C78 | 112.6° | 109.5° |
| N18 | C77 | H127 | 108.7° | 109.5° |
| N18 | C77 | H128 | 108.6° | 109.4° |
| C77 | N18 | C76 | 125.4° | 120.0° |
| H126 | N18 | C76 | 117.3° | 120.0° |
| C78 | C77 | H127 | 108.7° | 109.4° |
| C78 | C77 | H128 | 108.7° | 109.5° |
| C77 | C78 | C79 | 112.9° | 109.4° |
| C77 | C78 | H129 | 108.6° | 109.5° |
| C77 | C78 | H130 | 108.6° | 109.5° |
| H127 | C77 | H128 | 109.5° | 109.5° |
| C79 | C78 | H129 | 108.6° | 109.4° |
| C79 | C78 | H130 | 108.6° | 109.5° |
| C78 | C79 | C80 | 112.3° | 109.4° |
| C78 | C79 | H131 | 108.7° | 109.4° |
| C78 | C79 | H132 | 108.8° | 109.5° |
| H129 | C78 | H130 | 109.5° | 109.5° |
| C80 | C79 | H131 | 108.8° | 109.5° |
| C80 | C79 | H132 | 108.7° | 109.5° |
| C79 | C80 | N19 | 112.9° | 109.5° |
| C79 | C80 | H133 | 108.6° | 109.5° |
| C79 | C80 | H134 | 108.6° | 109.5° |
| H131 | C79 | H132 | 109.5° | 109.5° |
| N19 | C80 | H133 | 108.6° | 109.5° |
| N19 | C80 | H134 | 108.6° | 109.4° |
| C80 | N19 | C81 | 124.5° | 120.0° |
| C80 | N19 | H135 | 117.8° | 119.9° |
| H133 | C80 | H134 | 109.5° | 109.5° |
| C81 | N19 | H135 | 117.8° | 120.0° |
| N19 | C81 | N20 | 120.2° | 120.0° |
| N19 | C81 | N21 | 120.0° | 120.0° |
| N20 | C81 | N21 | 119.8° | 120.0° |
| C81 | N20 | H136 | 112.0° | 120.0° |
| C81 | N21 | H137 | 120.0° | 119.9° |
| C81 | N21 | H138 | 120.0° | 120.0° |
| H137 | N21 | H138 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 120.9° | 120.0° |
| C2 | C1 | C5 | H2 | 120.9° | 119.9° |
| C2 | C1 | H1 | H2 | 117.2° | 120.0° |
| C1 | C2 | C3 | C4 | 124.1° | 120.0° |
| C1 | C2 | C3 | H3 | 118.0° | 120.0° |
| C1 | C2 | C4 | H3 | 118.7° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H5 | 60.0° | 60.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C4 | H7 | 180.0° | 60.0° |
| C1 | C2 | C4 | H8 | 60.0° | 180.0° |
| C1 | C2 | C4 | H9 | 60.0° | 60.0° |
| C2 | C1 | C5 | O1 | 61.5° | 0.0° |
| C2 | C1 | C5 | N1 | 118.8° | 180.0° |
| C5 | C1 | H1 | H2 | 117.2° | 120.0° |
| C5 | C1 | C2 | C3 | 178.4° | 65.0° |
| C5 | C1 | C2 | C4 | 58.3° | 175.0° |
| C5 | C1 | C2 | H3 | 60.4° | 55.0° |
| C1 | C5 | O1 | N1 | 179.7° | 180.0° |
| C1 | C5 | N1 | C8 | 178.3° | 175.0° |
| C1 | C5 | N1 | H13 | 1.7° | 4.9° |
| H1 | C1 | C2 | C3 | 60.7° | 175.0° |
| H1 | C1 | C2 | C4 | 62.6° | 55.0° |
| H1 | C1 | C2 | H3 | 178.7° | 65.0° |
| H1 | C1 | C5 | O1 | 177.6° | 120.0° |
| H1 | C1 | C5 | N1 | 2.1° | 60.0° |
| H2 | C1 | C2 | C3 | 57.5° | 55.0° |
| H2 | C1 | C2 | C4 | 179.2° | 65.0° |
| H2 | C1 | C2 | H3 | 60.5° | 175.0° |
| H2 | C1 | C5 | O1 | 59.4° | 119.9° |
| H2 | C1 | C5 | N1 | 120.4° | 60.1° |
| C3 | C2 | C4 | H3 | 117.9° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.1° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 56.6° | 180.0° |
| C3 | C2 | C4 | H8 | 63.4° | 60.0° |
| C3 | C2 | C4 | H9 | 176.6° | 60.0° |
| C4 | C2 | C3 | H4 | 55.9° | 60.0° |
| C4 | C2 | C3 | H5 | 175.9° | 179.9° |
| C4 | C2 | C3 | H6 | 64.1° | 60.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| H3 | C2 | C3 | H4 | 62.0° | 60.1° |
| H3 | C2 | C3 | H5 | 58.0° | 60.0° |
| H3 | C2 | C3 | H6 | 178.0° | 180.0° |
| H3 | C2 | C4 | H7 | 61.3° | 60.0° |
| H3 | C2 | C4 | H8 | 178.7° | 60.0° |
| H3 | C2 | C4 | H9 | 58.6° | 180.0° |
| H4 | C3 | H5 | H6 | 119.9° | 120.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| O1 | C5 | N1 | C8 | 1.4° | 5.0° |
| O1 | C5 | N1 | H13 | 178.6° | 175.1° |
| C7 | C9 | C10 | C8 | 179.6° | 180.0° |
| C7 | C9 | C8 | N1 | 14.5° | 176.2° |
| C7 | C9 | C8 | C6 | 167.5° | 3.8° |
| C9 | C7 | H10 | H11 | 120.0° | 120.1° |
| C9 | C7 | H10 | H12 | 120.0° | 120.0° |
| C9 | C7 | H11 | H12 | 120.0° | 120.0° |
| C7 | C9 | C10 | H14 | 180.0° | 65.1° |
| C7 | C9 | C10 | H15 | 60.0° | 174.8° |
| C7 | C9 | C10 | H16 | 60.0° | 54.8° |
| C10 | C9 | C8 | N1 | 165.1° | 3.9° |
| C10 | C9 | C8 | C6 | 12.9° | 176.2° |
| C10 | C9 | C7 | H10 | 180.0° | 96.0° |
| C10 | C9 | C7 | H11 | 60.0° | 143.9° |
| C10 | C9 | C7 | H12 | 60.0° | 23.9° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C9 | C8 | N1 | C6 | 178.2° | 179.9° |
| C9 | C8 | C6 | O2 | 48.7° | 3.5° |
| C8 | C9 | C7 | H10 | 0.4° | 83.9° |
| C8 | C9 | C7 | H11 | 119.6° | 36.1° |
| C8 | C9 | C7 | H12 | 120.4° | 156.1° |
| C9 | C8 | N1 | H13 | 59.7° | 58.7° |
| C8 | C9 | C10 | H14 | 0.4° | 114.9° |
| C8 | C9 | C10 | H15 | 120.4° | 5.1° |
| C8 | C9 | C10 | H16 | 119.6° | 125.1° |
| C9 | C8 | N1 | C5 | 120.3° | 121.2° |
| C9 | C8 | C6 | N2 | 130.3° | 176.5° |
| N1 | C8 | C6 | O2 | 133.2° | 176.6° |
| C8 | N1 | H13 | C5 | 180.0° | 179.9° |
| N1 | C8 | C6 | N2 | 47.8° | 3.4° |
| C8 | C6 | O2 | N2 | 179.0° | 180.0° |
| C6 | C8 | N1 | H13 | 118.5° | 121.2° |
| C8 | C6 | N2 | C11 | 175.1° | 175.0° |
| C8 | C6 | N2 | H17 | 4.9° | 5.0° |
| C6 | C8 | N1 | C5 | 61.5° | 58.8° |
| O2 | C6 | N2 | C11 | 4.0° | 5.0° |
| O2 | C6 | N2 | H17 | 176.1° | 175.0° |
| H10 | C7 | H11 | H12 | 120.0° | 119.9° |
| H14 | C10 | H15 | H16 | 119.9° | 120.0° |
| C11 | N2 | H17 | C6 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 123.5° | 120.0° |
| N2 | C11 | C12 | H18 | 119.4° | 120.0° |
| N2 | C11 | C13 | H18 | 117.9° | 120.0° |
| N2 | C11 | C12 | O3 | 109.4° | 0.1° |
| N2 | C11 | C13 | H19 | 180.0° | 180.0° |
| N2 | C11 | C13 | H20 | 60.0° | 60.0° |
| N2 | C11 | C13 | H21 | 60.0° | 60.0° |
| N2 | C11 | C12 | N3 | 69.2° | 180.0° |
| H17 | N2 | C11 | C12 | 48.2° | 25.0° |
| H17 | N2 | C11 | C13 | 75.7° | 95.0° |
| H17 | N2 | C11 | H18 | 167.0° | 145.0° |
| C12 | C11 | C13 | H18 | 117.1° | 120.0° |
| C11 | C12 | O3 | N3 | 178.5° | 179.9° |
| C12 | C11 | C13 | H19 | 55.0° | 60.0° |
| C12 | C11 | C13 | H20 | 175.0° | 180.0° |
| C12 | C11 | C13 | H21 | 65.0° | 60.0° |
| C11 | C12 | N3 | C14 | 15.1° | 0.0° |
| C11 | C12 | N3 | C15 | 164.1° | 180.0° |
| C12 | C11 | N2 | C6 | 131.9° | 155.0° |
| C13 | C11 | C12 | O3 | 14.1° | 120.0° |
| C11 | C13 | H19 | H20 | 120.0° | 120.1° |
| C11 | C13 | H19 | H21 | 120.0° | 120.0° |
| C11 | C13 | H20 | H21 | 120.0° | 120.0° |
| C13 | C11 | N2 | C6 | 104.3° | 85.0° |
| C13 | C11 | C12 | N3 | 167.4° | 60.0° |
| H18 | C11 | C12 | O3 | 131.3° | 120.0° |
| H18 | C11 | C13 | H19 | 62.1° | 60.0° |
| H18 | C11 | C13 | H20 | 57.9° | 60.0° |
| H18 | C11 | C13 | H21 | 177.9° | 180.0° |
| H18 | C11 | N2 | C6 | 13.1° | 35.0° |
| H18 | C11 | C12 | N3 | 50.2° | 60.0° |
| O3 | C12 | N3 | C14 | 166.4° | 179.9° |
| O3 | C12 | N3 | C15 | 14.3° | 0.0° |
| H19 | C13 | H20 | H21 | 120.0° | 119.9° |
| C14 | N3 | C15 | C12 | 179.3° | 180.0° |
| N3 | C14 | H22 | H23 | 120.0° | 120.0° |
| N3 | C14 | H22 | H24 | 120.0° | 120.0° |
| N3 | C14 | H23 | H24 | 120.0° | 120.1° |
| C14 | N3 | C15 | C16 | 62.5° | 60.0° |
| C14 | N3 | C15 | C17 | 60.5° | 60.0° |
| C14 | N3 | C15 | H25 | 179.6° | 180.0° |
| C15 | N3 | C14 | H22 | 180.0° | 90.0° |
| C15 | N3 | C14 | H23 | 60.0° | 29.9° |
| C15 | N3 | C14 | H24 | 60.0° | 150.0° |
| N3 | C15 | C16 | C17 | 123.8° | 120.1° |
| N3 | C15 | C16 | H25 | 118.3° | 120.0° |
| N3 | C15 | C17 | H25 | 119.6° | 120.0° |
| N3 | C15 | C16 | H26 | 180.0° | 180.0° |
| N3 | C15 | C16 | H27 | 60.0° | 60.0° |
| N3 | C15 | C16 | H28 | 60.0° | 60.0° |
| N3 | C15 | C17 | O4 | 15.3° | 0.0° |
| N3 | C15 | C17 | N4 | 166.4° | 180.0° |
| H22 | C14 | H23 | H24 | 120.0° | 120.0° |
| H22 | C14 | N3 | C12 | 0.7° | 90.0° |
| H23 | C14 | N3 | C12 | 120.7° | 150.0° |
| H24 | C14 | N3 | C12 | 119.3° | 30.0° |
| C16 | C15 | C17 | H25 | 117.9° | 119.9° |
| C15 | C16 | H26 | H27 | 120.0° | 120.0° |
| C15 | C16 | H26 | H28 | 120.0° | 120.0° |
| C15 | C16 | H27 | H28 | 120.0° | 120.0° |
| C16 | C15 | C17 | O4 | 137.8° | 120.0° |
| C16 | C15 | N3 | C12 | 116.8° | 120.0° |
| C16 | C15 | C17 | N4 | 43.9° | 59.9° |
| C17 | C15 | C16 | H26 | 56.2° | 59.9° |
| C17 | C15 | C16 | H27 | 176.2° | 180.0° |
| C17 | C15 | C16 | H28 | 63.8° | 60.1° |
| C15 | C17 | O4 | N4 | 178.2° | 180.0° |
| C15 | C17 | N4 | C18 | 175.3° | 180.0° |
| C15 | C17 | N4 | H29 | 4.7° | 0.0° |
| C17 | C15 | N3 | C12 | 120.2° | 120.0° |
| H25 | C15 | C16 | H26 | 61.7° | 60.0° |
| H25 | C15 | C16 | H27 | 58.4° | 60.1° |
| H25 | C15 | C16 | H28 | 178.4° | NaN° |
| H25 | C15 | C17 | O4 | 104.3° | 120.0° |
| H25 | C15 | N3 | C12 | 1.1° | 0.0° |
| H25 | C15 | C17 | N4 | 74.0° | 60.0° |
| H26 | C16 | H27 | H28 | 119.9° | 120.0° |
| O4 | C17 | N4 | C18 | 3.0° | 0.0° |
| O4 | C17 | N4 | H29 | 177.1° | 180.0° |
| C18 | N4 | H29 | C17 | 180.0° | 179.9° |
| N4 | C18 | C19 | C22 | 127.3° | 120.0° |
| N4 | C18 | C19 | H30 | 116.5° | 120.0° |
| N4 | C18 | C22 | H30 | 117.6° | 120.0° |
| N4 | C18 | C19 | C20 | 73.3° | 54.1° |
| N4 | C18 | C19 | C21 | 50.1° | 65.9° |
| N4 | C18 | C19 | H31 | 168.2° | 174.0° |
| N4 | C18 | C22 | O5 | 172.5° | 9.6° |
| N4 | C18 | C22 | N5 | 6.4° | 170.4° |
| H29 | N4 | C18 | C19 | 25.5° | 95.0° |
| H29 | N4 | C18 | C22 | 101.5° | 25.0° |
| H29 | N4 | C18 | H30 | 141.4° | 145.0° |
| C19 | C18 | C22 | H30 | 116.2° | 120.0° |
| C18 | C19 | C20 | C21 | 123.1° | 120.0° |
| C18 | C19 | C20 | H31 | 118.3° | 120.0° |
| C18 | C19 | C21 | H31 | 118.1° | 120.0° |
| C18 | C19 | C20 | H32 | 180.0° | 60.0° |
| C18 | C19 | C20 | H33 | 60.0° | 180.0° |
| C18 | C19 | C20 | H34 | 60.0° | 59.9° |
| C18 | C19 | C21 | H35 | 180.0° | 60.9° |
| C18 | C19 | C21 | H36 | 60.0° | 179.1° |
| C18 | C19 | C21 | H37 | 60.0° | 59.1° |
| C19 | C18 | C22 | O5 | 61.2° | 110.4° |
| C19 | C18 | N4 | C17 | 154.5° | 85.0° |
| C19 | C18 | C22 | N5 | 119.9° | 69.6° |
| C22 | C18 | C19 | C20 | 54.0° | 65.9° |
| C22 | C18 | C19 | C21 | 177.4° | 174.1° |
| C22 | C18 | C19 | H31 | 64.4° | 54.1° |
| C18 | C22 | O5 | N5 | 178.8° | 180.0° |
| C18 | C22 | N5 | C23 | 168.4° | 175.0° |
| C18 | C22 | N5 | H38 | 11.5° | 5.0° |
| C22 | C18 | N4 | C17 | 78.5° | 155.0° |
| H30 | C18 | C19 | C20 | 170.2° | 174.1° |
| H30 | C18 | C19 | C21 | 66.4° | 54.1° |
| H30 | C18 | C19 | H31 | 51.8° | 66.0° |
| H30 | C18 | C22 | O5 | 54.9° | 129.6° |
| H30 | C18 | N4 | C17 | 38.6° | 35.0° |
| H30 | C18 | C22 | N5 | 124.0° | 50.4° |
| C20 | C19 | C21 | H31 | 118.6° | 120.0° |
| C19 | C20 | H32 | H33 | 120.0° | 120.0° |
| C19 | C20 | H32 | H34 | 120.0° | 119.9° |
| C19 | C20 | H33 | H34 | 120.0° | 120.1° |
| C20 | C19 | C21 | H35 | 56.7° | 179.1° |
| C20 | C19 | C21 | H36 | 63.3° | 59.1° |
| C20 | C19 | C21 | H37 | 176.7° | 61.0° |
| C21 | C19 | C20 | H32 | 56.9° | 60.1° |
| C21 | C19 | C20 | H33 | 176.9° | 60.0° |
| C21 | C19 | C20 | H34 | 63.1° | 180.0° |
| C19 | C21 | H35 | H36 | 120.0° | 120.0° |
| C19 | C21 | H35 | H37 | 120.0° | 120.0° |
| C19 | C21 | H36 | H37 | 120.0° | 120.1° |
| H31 | C19 | C20 | H32 | 61.7° | 179.9° |
| H31 | C19 | C20 | H33 | 58.3° | 60.0° |
| H31 | C19 | C20 | H34 | 178.3° | 60.0° |
| H31 | C19 | C21 | H35 | 62.0° | 59.1° |
| H31 | C19 | C21 | H36 | 178.1° | 60.9° |
| H31 | C19 | C21 | H37 | 58.0° | 179.1° |
| H32 | C20 | H33 | H34 | 120.0° | 120.0° |
| H35 | C21 | H36 | H37 | 120.0° | 120.0° |
| O5 | C22 | N5 | C23 | 10.4° | 5.0° |
| O5 | C22 | N5 | H38 | 169.6° | 175.0° |
| C23 | N5 | H38 | C22 | 180.0° | 180.0° |
| N5 | C23 | C24 | C27 | 119.5° | 120.1° |
| N5 | C23 | C24 | H39 | 120.3° | 119.9° |
| N5 | C23 | C27 | H39 | 119.7° | 120.0° |
| N5 | C23 | C24 | C25 | 64.9° | 56.9° |
| N5 | C23 | C24 | C26 | 170.0° | 63.1° |
| N5 | C23 | C24 | H40 | 52.3° | 177.0° |
| N5 | C23 | C27 | O6 | 54.7° | 9.8° |
| N5 | C23 | C27 | N6 | 123.8° | 170.2° |
| H38 | N5 | C23 | C24 | 60.3° | 95.0° |
| H38 | N5 | C23 | C27 | 61.1° | 25.0° |
| H38 | N5 | C23 | H39 | 179.8° | 145.0° |
| C24 | C23 | C27 | H39 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 126.0° | 120.0° |
| C23 | C24 | C25 | H40 | 117.0° | 120.1° |
| C23 | C24 | C26 | H40 | 117.5° | 120.0° |
| C23 | C24 | C25 | H41 | 180.0° | 175.0° |
| C23 | C24 | C25 | H42 | 60.0° | 65.0° |
| C23 | C24 | C25 | H43 | 60.0° | 54.9° |
| C23 | C24 | C26 | H44 | 180.0° | 60.0° |
| C23 | C24 | C26 | H45 | 60.0° | 180.0° |
| C23 | C24 | C26 | H46 | 60.0° | 60.0° |
| C24 | C23 | C27 | O6 | 65.5° | 110.2° |
| C24 | C23 | N5 | C22 | 119.7° | 85.0° |
| C24 | C23 | C27 | N6 | 115.9° | 69.8° |
| C27 | C23 | C24 | C25 | 175.6° | 63.1° |
| C27 | C23 | C24 | C26 | 50.5° | 176.9° |
| C27 | C23 | C24 | H40 | 67.2° | 56.9° |
| C23 | C27 | O6 | N6 | 178.4° | 180.0° |
| C23 | C27 | N6 | C29 | 172.8° | 175.0° |
| C23 | C27 | N6 | H53 | 7.2° | 5.0° |
| C27 | C23 | N5 | C22 | 118.8° | 155.0° |
| H39 | C23 | C24 | C25 | 55.4° | 176.9° |
| H39 | C23 | C24 | C26 | 69.7° | 56.9° |
| H39 | C23 | C24 | H40 | 172.6° | 63.1° |
| H39 | C23 | C27 | O6 | 174.5° | 129.8° |
| H39 | C23 | N5 | C22 | 0.2° | 35.0° |
| H39 | C23 | C27 | N6 | 4.1° | 50.2° |
| C25 | C24 | C26 | H40 | 116.9° | 120.0° |
| C24 | C25 | H41 | H42 | 120.0° | 119.9° |
| C24 | C25 | H41 | H43 | 120.0° | 120.1° |
| C24 | C25 | H42 | H43 | 120.0° | 120.0° |
| C25 | C24 | C26 | H44 | 54.4° | 180.0° |
| C25 | C24 | C26 | H45 | 65.7° | 60.0° |
| C25 | C24 | C26 | H46 | 174.4° | 60.0° |
| C26 | C24 | C25 | H41 | 54.0° | 55.0° |
| C26 | C24 | C25 | H42 | 174.0° | 175.0° |
| C26 | C24 | C25 | H43 | 66.0° | 65.0° |
| C24 | C26 | H44 | H45 | 120.0° | 120.0° |
| C24 | C26 | H44 | H46 | 120.0° | 120.0° |
| C24 | C26 | H45 | H46 | 120.0° | 120.0° |
| H40 | C24 | C25 | H41 | 63.0° | 64.9° |
| H40 | C24 | C25 | H42 | 57.1° | 55.0° |
| H40 | C24 | C25 | H43 | 177.0° | 175.0° |
| H40 | C24 | C26 | H44 | 62.5° | 60.0° |
| H40 | C24 | C26 | H45 | 177.4° | 60.0° |
| H40 | C24 | C26 | H46 | 57.5° | 180.0° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
| H44 | C26 | H45 | H46 | 120.0° | 119.9° |
| O6 | C27 | N6 | C29 | 5.7° | 4.9° |
| O6 | C27 | N6 | H53 | 174.3° | 175.0° |
| C28 | C30 | O8 | N7 | 179.6° | 180.0° |
| C30 | C28 | C29 | H47 | 120.9° | 120.1° |
| C30 | C28 | C29 | H55 | 120.9° | 120.0° |
| C30 | C28 | C29 | N6 | 72.8° | 65.1° |
| C30 | C28 | C29 | C31 | 162.3° | 175.0° |
| C30 | C28 | H47 | H55 | 117.3° | 119.9° |
| C30 | C28 | C29 | H48 | 46.0° | 55.0° |
| C28 | C30 | N7 | C37 | 172.4° | 180.0° |
| C28 | C30 | N7 | H56 | 7.6° | 0.0° |
| O8 | C30 | C28 | C29 | 35.8° | 0.1° |
| O8 | C30 | C28 | H47 | 85.0° | 120.0° |
| O8 | C30 | C28 | H55 | 156.7° | 120.1° |
| O8 | C30 | N7 | C37 | 8.0° | 0.0° |
| O8 | C30 | N7 | H56 | 172.0° | 180.0° |
| C28 | C29 | N6 | C31 | 121.7° | 119.9° |
| C28 | C29 | N6 | H48 | 118.2° | 120.0° |
| C28 | C29 | C31 | H48 | 116.1° | 120.0° |
| C28 | C29 | C31 | C32 | 97.0° | 80.3° |
| C28 | C29 | C31 | C36 | 79.2° | 100.1° |
| C29 | C28 | H47 | H55 | 117.3° | 120.0° |
| C28 | C29 | N6 | H53 | 10.0° | 24.9° |
| C28 | C29 | N6 | C27 | 170.0° | 155.0° |
| C29 | C28 | C30 | N7 | 143.8° | 180.0° |
| N6 | C29 | C31 | H48 | 120.4° | 120.0° |
| N6 | C29 | C31 | C32 | 26.4° | 39.7° |
| N6 | C29 | C31 | C36 | 157.4° | 140.0° |
| N6 | C29 | C28 | H47 | 166.4° | 55.0° |
| C29 | N6 | H53 | C27 | 180.0° | 179.9° |
| N6 | C29 | C28 | H55 | 48.1° | 175.0° |
| C29 | C31 | C32 | C36 | 176.3° | 179.7° |
| C29 | C31 | C32 | C33 | 178.5° | 179.9° |
| C29 | C31 | C36 | C35 | 178.3° | 179.8° |
| C31 | C29 | C28 | H47 | 41.4° | 64.9° |
| C29 | C31 | C32 | H49 | 1.5° | 0.1° |
| C29 | C31 | C36 | H52 | 1.6° | 0.1° |
| C31 | C29 | N6 | H53 | 111.8° | 95.0° |
| C31 | C29 | C28 | H55 | 76.9° | 55.0° |
| C31 | C29 | N6 | C27 | 68.2° | 85.1° |
| C31 | C32 | C33 | H49 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.2° | 0.0° |
| C32 | C31 | C36 | C35 | 2.0° | 0.6° |
| C32 | C31 | C29 | H48 | 146.8° | 159.7° |
| C31 | C32 | C33 | H50 | 178.8° | 180.0° |
| C32 | C31 | C36 | H52 | 178.0° | 179.8° |
| C33 | C32 | C31 | C36 | 2.2° | 0.3° |
| C32 | C33 | C34 | H50 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | O7 | 179.7° | 179.9° |
| C31 | C36 | C35 | H52 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 0.8° | 0.6° |
| C36 | C31 | C29 | H48 | 36.9° | 19.9° |
| C36 | C31 | C32 | H49 | 177.8° | 179.7° |
| C31 | C36 | C35 | H51 | 179.2° | 179.7° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C33 | C34 | C35 | O7 | 179.6° | 179.9° |
| C34 | C33 | C32 | H49 | 178.8° | 180.0° |
| C33 | C34 | C35 | H51 | 179.7° | 180.0° |
| C33 | C34 | O7 | H54 | 180.0° | 90.0° |
| C36 | C35 | C34 | H51 | 180.0° | 179.7° |
| C36 | C35 | C34 | O7 | 179.9° | 179.8° |
| C35 | C34 | C33 | H50 | 180.0° | 180.0° |
| C34 | C35 | C36 | H52 | 179.2° | 179.8° |
| C35 | C34 | O7 | H54 | 0.4° | 90.0° |
| O7 | C34 | C33 | H50 | 0.3° | 0.0° |
| O7 | C34 | C35 | H51 | 0.1° | 0.1° |
| H47 | C28 | C29 | H48 | 74.9° | 175.1° |
| H47 | C28 | C30 | N7 | 95.3° | 59.9° |
| H48 | C29 | N6 | H53 | 128.2° | 145.0° |
| H48 | C29 | C28 | H55 | 166.9° | 65.0° |
| H48 | C29 | N6 | C27 | 51.8° | 35.0° |
| H49 | C32 | C33 | H50 | 1.2° | 0.0° |
| H51 | C35 | C36 | H52 | 0.8° | 0.0° |
| H55 | C28 | C30 | N7 | 23.0° | 60.0° |
| C37 | N7 | H56 | C30 | 180.0° | 180.0° |
| N7 | C37 | C38 | C41 | 126.7° | 120.0° |
| N7 | C37 | C38 | H57 | 117.0° | 120.0° |
| N7 | C37 | C41 | H57 | 118.1° | 120.0° |
| N7 | C37 | C38 | C39 | 167.2° | 55.6° |
| N7 | C37 | C38 | C40 | 68.3° | 175.7° |
| N7 | C37 | C38 | H58 | 49.5° | 64.4° |
| N7 | C37 | C41 | O9 | 152.6° | 18.5° |
| N7 | C37 | C41 | N8 | 26.2° | 161.5° |
| H56 | N7 | C37 | C38 | 12.5° | 95.1° |
| H56 | N7 | C37 | C41 | 113.7° | 25.0° |
| H56 | N7 | C37 | H57 | 128.8° | 145.0° |
| C38 | C37 | C41 | H57 | 116.2° | 120.0° |
| C37 | C38 | C39 | C40 | 125.2° | 120.0° |
| C37 | C38 | C39 | H58 | 117.5° | 119.9° |
| C37 | C38 | C40 | H58 | 117.6° | 119.9° |
| C37 | C38 | C39 | H59 | 180.0° | 60.0° |
| C37 | C38 | C39 | H60 | 60.0° | 180.0° |
| C37 | C38 | C39 | H61 | 60.0° | 60.0° |
| C37 | C38 | C40 | H62 | 180.0° | 67.1° |
| C37 | C38 | C40 | H63 | 60.0° | 172.9° |
| C37 | C38 | C40 | H64 | 60.0° | 53.0° |
| C38 | C37 | C41 | O9 | 81.7° | 101.5° |
| C38 | C37 | N7 | C30 | 167.5° | 85.0° |
| C38 | C37 | C41 | N8 | 99.6° | 78.5° |
| C41 | C37 | C38 | C39 | 66.1° | 175.6° |
| C41 | C37 | C38 | C40 | 58.4° | 64.3° |
| C41 | C37 | C38 | H58 | 176.2° | 55.6° |
| C37 | C41 | O9 | N8 | 178.6° | 180.0° |
| C37 | C41 | N8 | C44 | 162.7° | 174.4° |
| C37 | C41 | N8 | H68 | 17.3° | 5.6° |
| C41 | C37 | N7 | C30 | 66.3° | 155.0° |
| H57 | C37 | C38 | C39 | 50.2° | 64.4° |
| H57 | C37 | C38 | C40 | 174.7° | 55.7° |
| H57 | C37 | C38 | H58 | 67.5° | 175.6° |
| H57 | C37 | C41 | O9 | 34.5° | 138.5° |
| H57 | C37 | N7 | C30 | 51.2° | 35.0° |
| H57 | C37 | C41 | N8 | 144.2° | 41.4° |
| C39 | C38 | C40 | H58 | 117.3° | 120.0° |
| C38 | C39 | H59 | H60 | 120.0° | 120.0° |
| C38 | C39 | H59 | H61 | 120.0° | 120.0° |
| C38 | C39 | H60 | H61 | 120.0° | 120.1° |
| C39 | C38 | C40 | H62 | 55.0° | 172.9° |
| C39 | C38 | C40 | H63 | 65.0° | 52.8° |
| C39 | C38 | C40 | H64 | 175.0° | 67.1° |
| C40 | C38 | C39 | H59 | 54.8° | 60.0° |
| C40 | C38 | C39 | H60 | 174.8° | 60.0° |
| C40 | C38 | C39 | H61 | 65.2° | 180.0° |
| C38 | C40 | H62 | H63 | 120.0° | 120.0° |
| C38 | C40 | H62 | H64 | 120.0° | 120.0° |
| C38 | C40 | H63 | H64 | 120.0° | 119.9° |
| H58 | C38 | C39 | H59 | 62.5° | 179.9° |
| H58 | C38 | C39 | H60 | 57.5° | 60.0° |
| H58 | C38 | C39 | H61 | 177.5° | 60.0° |
| H58 | C38 | C40 | H62 | 62.4° | 52.8° |
| H58 | C38 | C40 | H63 | 177.6° | 67.2° |
| H58 | C38 | C40 | H64 | 57.6° | 172.9° |
| H59 | C39 | H60 | H61 | 120.0° | 119.9° |
| H62 | C40 | H63 | H64 | 120.0° | 120.1° |
| O9 | C41 | N8 | C44 | 16.0° | 5.6° |
| O9 | C41 | N8 | H68 | 164.0° | 174.4° |
| C43 | C45 | C46 | C44 | 179.2° | 180.0° |
| C43 | C45 | C44 | N8 | 3.2° | 176.0° |
| C43 | C45 | C44 | C42 | 176.9° | 4.0° |
| C45 | C43 | H65 | H66 | 120.0° | 120.0° |
| C45 | C43 | H65 | H67 | 120.0° | 120.0° |
| C45 | C43 | H66 | H67 | 120.0° | 119.9° |
| C43 | C45 | C46 | H69 | 180.0° | 5.0° |
| C43 | C45 | C46 | H70 | 60.0° | 115.0° |
| C43 | C45 | C46 | H71 | 60.0° | 124.9° |
| C46 | C45 | C44 | N8 | 177.6° | 3.9° |
| C46 | C45 | C44 | C42 | 2.2° | 176.0° |
| C46 | C45 | C43 | H65 | 180.0° | 1.1° |
| C46 | C45 | C43 | H66 | 60.0° | 118.9° |
| C46 | C45 | C43 | H67 | 60.0° | 121.1° |
| C45 | C46 | H69 | H70 | 120.0° | 120.0° |
| C45 | C46 | H69 | H71 | 120.0° | 120.0° |
| C45 | C46 | H70 | H71 | 120.0° | 120.0° |
| C45 | C44 | N8 | C42 | 179.9° | 180.0° |
| C45 | C44 | C42 | O10 | 30.2° | 1.4° |
| C44 | C45 | C43 | H65 | 0.7° | 178.9° |
| C44 | C45 | C43 | H66 | 120.7° | 61.0° |
| C44 | C45 | C43 | H67 | 119.2° | 58.9° |
| C45 | C44 | N8 | H68 | 45.4° | 60.9° |
| C44 | C45 | C46 | H69 | 0.8° | 175.0° |
| C44 | C45 | C46 | H70 | 119.2° | 65.0° |
| C44 | C45 | C46 | H71 | 120.8° | 55.0° |
| C45 | C44 | N8 | C41 | 134.7° | 119.2° |
| C45 | C44 | C42 | N9 | 148.5° | 178.6° |
| N8 | C44 | C42 | O10 | 149.6° | 178.6° |
| C44 | N8 | H68 | C41 | 180.0° | 180.0° |
| N8 | C44 | C42 | N9 | 31.6° | 1.5° |
| C44 | C42 | O10 | N9 | 178.7° | 180.0° |
| C42 | C44 | N8 | H68 | 134.8° | 119.1° |
| C44 | C42 | N9 | C47 | 178.4° | 175.0° |
| C44 | C42 | N9 | H72 | 1.6° | 5.0° |
| C42 | C44 | N8 | C41 | 45.2° | 60.9° |
| O10 | C42 | N9 | C47 | 0.3° | 4.9° |
| O10 | C42 | N9 | H72 | 179.7° | 175.1° |
| H65 | C43 | H66 | H67 | 120.0° | 120.1° |
| H69 | C46 | H70 | H71 | 120.0° | 119.9° |
| C47 | N9 | H72 | C42 | 180.0° | 180.0° |
| N9 | C47 | C48 | C52 | 134.4° | 119.9° |
| N9 | C47 | C48 | H73 | 113.3° | 120.0° |
| N9 | C47 | C52 | H73 | 114.8° | 120.0° |
| N9 | C47 | C48 | C49 | 61.4° | 65.1° |
| N9 | C47 | C48 | H74 | 59.2° | 175.0° |
| N9 | C47 | C48 | H75 | 177.9° | 54.9° |
| N9 | C47 | C52 | O11 | 154.1° | 0.0° |
| N9 | C47 | C52 | N13 | 28.5° | 180.0° |
| H72 | N9 | C47 | C48 | 77.3° | 95.0° |
| H72 | N9 | C47 | C52 | 55.5° | 25.0° |
| H72 | N9 | C47 | H73 | 169.8° | 145.0° |
| C48 | C47 | C52 | H73 | 112.4° | 120.0° |
| C47 | C48 | C49 | H74 | 120.6° | 120.0° |
| C47 | C48 | C49 | H75 | 120.7° | 120.0° |
| C47 | C48 | H74 | H75 | 118.0° | 120.1° |
| C47 | C48 | C49 | C50 | 162.3° | 180.0° |
| C47 | C48 | C49 | H76 | 42.0° | 60.0° |
| C47 | C48 | C49 | H77 | 77.4° | 59.9° |
| C48 | C47 | C52 | O11 | 21.4° | 120.0° |
| C48 | C47 | N9 | C42 | 102.7° | 85.0° |
| C48 | C47 | C52 | N13 | 161.2° | 60.0° |
| C52 | C47 | C48 | C49 | 72.9° | 175.0° |
| C52 | C47 | C48 | H74 | 166.4° | 55.1° |
| C52 | C47 | C48 | H75 | 47.7° | 65.0° |
| C47 | C52 | O11 | N13 | 177.2° | 180.0° |
| C47 | C52 | N13 | C53 | 178.7° | 180.0° |
| C47 | C52 | N13 | H85 | 1.3° | 0.0° |
| C52 | C47 | N9 | C42 | 124.5° | 155.0° |
| H73 | C47 | C48 | C49 | 174.7° | 55.0° |
| H73 | C47 | C48 | H74 | 54.1° | 65.0° |
| H73 | C47 | C48 | H75 | 64.7° | 174.9° |
| H73 | C47 | C52 | O11 | 91.0° | 120.0° |
| H73 | C47 | N9 | C42 | 10.1° | 35.0° |
| H73 | C47 | C52 | N13 | 86.3° | 60.0° |
| C49 | C48 | H74 | H75 | 118.0° | 119.9° |
| C48 | C49 | C50 | H76 | 120.3° | 120.0° |
| C48 | C49 | C50 | H77 | 120.3° | 120.0° |
| C48 | C49 | H76 | H77 | 119.0° | 120.0° |
| C48 | C49 | C50 | N10 | 170.2° | 180.0° |
| C48 | C49 | C50 | H78 | 69.3° | 60.0° |
| C48 | C49 | C50 | H79 | 49.7° | 59.9° |
| H74 | C48 | C49 | C50 | 77.1° | 60.0° |
| H74 | C48 | C49 | H76 | 162.6° | NaN° |
| H74 | C48 | C49 | H77 | 43.2° | 60.1° |
| H75 | C48 | C49 | C50 | 41.6° | 60.0° |
| H75 | C48 | C49 | H76 | 78.7° | 60.0° |
| H75 | C48 | C49 | H77 | 161.9° | 180.0° |
| C50 | C49 | H76 | H77 | 119.0° | 120.1° |
| C49 | C50 | N10 | H78 | 120.5° | 120.0° |
| C49 | C50 | N10 | H79 | 120.5° | 120.0° |
| C49 | C50 | H78 | H79 | 118.4° | 120.0° |
| C49 | C50 | N10 | C51 | 114.3° | 180.0° |
| C49 | C50 | N10 | H80 | 65.7° | 0.0° |
| H76 | C49 | C50 | N10 | 49.9° | 60.0° |
| H76 | C49 | C50 | H78 | 170.4° | 180.0° |
| H76 | C49 | C50 | H79 | 70.7° | 60.0° |
| H77 | C49 | C50 | N10 | 69.5° | 60.0° |
| H77 | C49 | C50 | H78 | 51.1° | 60.0° |
| H77 | C49 | C50 | H79 | 170.0° | 180.0° |
| N10 | C50 | H78 | H79 | 118.4° | 120.0° |
| C50 | N10 | C51 | H80 | 180.0° | 180.0° |
| C50 | N10 | C51 | N11 | 170.3° | 0.0° |
| C50 | N10 | C51 | N12 | 9.9° | 180.0° |
| H78 | C50 | N10 | C51 | 125.2° | 60.0° |
| H78 | C50 | N10 | H80 | 54.8° | 120.0° |
| H79 | C50 | N10 | C51 | 6.2° | 60.0° |
| H79 | C50 | N10 | H80 | 173.8° | 120.0° |
| N10 | C51 | N11 | N12 | 179.8° | 180.0° |
| N10 | C51 | N11 | H81 | 179.8° | 0.1° |
| N10 | C51 | N11 | H82 | 0.2° | 180.0° |
| N10 | C51 | N12 | H83 | 179.8° | 180.0° |
| N10 | C51 | N12 | H84 | 0.2° | 0.0° |
| H80 | N10 | C51 | N11 | 9.7° | 180.0° |
| H80 | N10 | C51 | N12 | 170.1° | 0.0° |
| C51 | N11 | H81 | H82 | 180.0° | 179.9° |
| N11 | C51 | N12 | H83 | 0.0° | 0.1° |
| N11 | C51 | N12 | H84 | 180.0° | 179.9° |
| N12 | C51 | N11 | H81 | 0.0° | 180.0° |
| N12 | C51 | N11 | H82 | 180.0° | 0.1° |
| C51 | N12 | H83 | H84 | 180.0° | 180.0° |
| O11 | C52 | N13 | C53 | 1.4° | 0.0° |
| O11 | C52 | N13 | H85 | 178.6° | 180.0° |
| C53 | N13 | H85 | C52 | 180.0° | 180.0° |
| N13 | C53 | C54 | C55 | 130.0° | 120.0° |
| N13 | C53 | C54 | H86 | 116.3° | 120.0° |
| N13 | C53 | C55 | H86 | 114.5° | 120.0° |
| N13 | C53 | C54 | O12 | 179.6° | 0.0° |
| N13 | C53 | C55 | C56 | 52.9° | 65.4° |
| N13 | C53 | C55 | C57 | 71.3° | 54.6° |
| N13 | C53 | C55 | H87 | 170.8° | 174.6° |
| N13 | C53 | C54 | N14 | 0.3° | 180.0° |
| H85 | N13 | C53 | C54 | 96.5° | 25.0° |
| H85 | N13 | C53 | C55 | 33.8° | 95.0° |
| H85 | N13 | C53 | H86 | 147.7° | 145.0° |
| C54 | C53 | C55 | H86 | 113.9° | 120.0° |
| C53 | C54 | O12 | N14 | 179.3° | 180.0° |
| C54 | C53 | C55 | C56 | 175.4° | 174.6° |
| C54 | C53 | C55 | C57 | 60.4° | 65.4° |
| C54 | C53 | C55 | H87 | 57.6° | 54.5° |
| C53 | C54 | N14 | C58 | 176.8° | 176.7° |
| C53 | C54 | N14 | H94 | 3.2° | 3.3° |
| C54 | C53 | N13 | C52 | 83.5° | 155.0° |
| C55 | C53 | C54 | O12 | 50.5° | 120.0° |
| C53 | C55 | C56 | C57 | 124.6° | 120.0° |
| C53 | C55 | C56 | H87 | 117.6° | 120.1° |
| C53 | C55 | C57 | H87 | 117.8° | 120.0° |
| C53 | C55 | C56 | H88 | 180.0° | 66.4° |
| C53 | C55 | C56 | H89 | 60.0° | 173.5° |
| C53 | C55 | C56 | H90 | 60.0° | 53.5° |
| C53 | C55 | C57 | H91 | 180.0° | 67.3° |
| C53 | C55 | C57 | H92 | 60.0° | 172.7° |
| C53 | C55 | C57 | H93 | 60.0° | 52.7° |
| C55 | C53 | N13 | C52 | 146.2° | 85.0° |
| C55 | C53 | C54 | N14 | 130.2° | 59.9° |
| H86 | C53 | C54 | O12 | 63.3° | 120.0° |
| H86 | C53 | C55 | C56 | 61.5° | 54.6° |
| H86 | C53 | C55 | C57 | 174.3° | 174.6° |
| H86 | C53 | C55 | H87 | 56.3° | 65.5° |
| H86 | C53 | N13 | C52 | 32.3° | 35.0° |
| H86 | C53 | C54 | N14 | 116.0° | 60.1° |
| O12 | C54 | N14 | C58 | 3.9° | 3.2° |
| O12 | C54 | N14 | H94 | 176.1° | 176.7° |
| C56 | C55 | C57 | H87 | 117.8° | 119.9° |
| C55 | C56 | H88 | H89 | 120.0° | 120.0° |
| C55 | C56 | H88 | H90 | 120.0° | 119.9° |
| C55 | C56 | H89 | H90 | 120.0° | 120.0° |
| C56 | C55 | C57 | H91 | 55.5° | 172.7° |
| C56 | C55 | C57 | H92 | 64.5° | 52.7° |
| C56 | C55 | C57 | H93 | 175.5° | 67.4° |
| C57 | C55 | C56 | H88 | 55.4° | 53.6° |
| C57 | C55 | C56 | H89 | 175.4° | 66.5° |
| C57 | C55 | C56 | H90 | 64.6° | 173.5° |
| C55 | C57 | H91 | H92 | 120.0° | 120.0° |
| C55 | C57 | H91 | H93 | 120.0° | 119.9° |
| C55 | C57 | H92 | H93 | 120.0° | 120.0° |
| H87 | C55 | C56 | H88 | 62.4° | 173.5° |
| H87 | C55 | C56 | H89 | 57.6° | 53.5° |
| H87 | C55 | C56 | H90 | 177.6° | 66.6° |
| H87 | C55 | C57 | H91 | 62.3° | 52.7° |
| H87 | C55 | C57 | H92 | 177.8° | 67.3° |
| H87 | C55 | C57 | H93 | 57.8° | 172.7° |
| H88 | C56 | H89 | H90 | 120.0° | 120.0° |
| H91 | C57 | H92 | H93 | 120.0° | 120.0° |
| C58 | N14 | H94 | C54 | 180.0° | 179.9° |
| N14 | C58 | C59 | C62 | 125.4° | 120.0° |
| N14 | C58 | C59 | H95 | 117.7° | 120.0° |
| N14 | C58 | C62 | H95 | 117.8° | 120.0° |
| N14 | C58 | C59 | C60 | 53.4° | 66.5° |
| N14 | C58 | C59 | C61 | 177.5° | 173.4° |
| N14 | C58 | C59 | H96 | 64.4° | 53.5° |
| N14 | C58 | C62 | O13 | 59.8° | 19.8° |
| N14 | C58 | C62 | N15 | 120.6° | 160.2° |
| H94 | N14 | C58 | C59 | 30.4° | 89.0° |
| H94 | N14 | C58 | C62 | 95.3° | 31.1° |
| H94 | N14 | C58 | H95 | 147.4° | 151.1° |
| C59 | C58 | C62 | H95 | 116.7° | 120.0° |
| C58 | C59 | C60 | C61 | 124.6° | 120.0° |
| C58 | C59 | C60 | H96 | 117.6° | 120.0° |
| C58 | C59 | C61 | H96 | 117.9° | 119.9° |
| C58 | C59 | C60 | H97 | 180.0° | 64.1° |
| C58 | C59 | C60 | H98 | 60.0° | 175.9° |
| C58 | C59 | C60 | H99 | 60.0° | 55.9° |
| C58 | C59 | C61 | H100 | 180.0° | 60.3° |
| C58 | C59 | C61 | H101 | 60.0° | 179.6° |
| C58 | C59 | C61 | H102 | 60.0° | 59.6° |
| C59 | C58 | C62 | O13 | 65.6° | 100.2° |
| C59 | C58 | N14 | C54 | 149.6° | 91.1° |
| C59 | C58 | C62 | N15 | 114.0° | 79.8° |
| C62 | C58 | C59 | C60 | 178.8° | 173.4° |
| C62 | C58 | C59 | C61 | 57.0° | 53.4° |
| C62 | C58 | C59 | H96 | 61.0° | 66.5° |
| C58 | C62 | O13 | N15 | 179.6° | 179.9° |
| C58 | C62 | N15 | C63 | 173.1° | 176.4° |
| C58 | C62 | N15 | H103 | 6.9° | 3.5° |
| C62 | C58 | N14 | C54 | 84.7° | 148.9° |
| H95 | C58 | C59 | C60 | 64.3° | 53.5° |
| H95 | C58 | C59 | C61 | 59.8° | 66.6° |
| H95 | C58 | C59 | H96 | 177.9° | 173.5° |
| H95 | C58 | C62 | O13 | 177.7° | 139.9° |
| H95 | C58 | N14 | C54 | 32.6° | 28.9° |
| H95 | C58 | C62 | N15 | 2.7° | 40.2° |
| C60 | C59 | C61 | H96 | 117.8° | 120.0° |
| C59 | C60 | H97 | H98 | 120.0° | 119.9° |
| C59 | C60 | H97 | H99 | 120.0° | 120.0° |
| C59 | C60 | H98 | H99 | 120.0° | 120.0° |
| C60 | C59 | C61 | H100 | 55.7° | 179.6° |
| C60 | C59 | C61 | H101 | 64.3° | 59.6° |
| C60 | C59 | C61 | H102 | 175.7° | 60.4° |
| C61 | C59 | C60 | H97 | 55.5° | 55.9° |
| C61 | C59 | C60 | H98 | 175.5° | 64.1° |
| C61 | C59 | C60 | H99 | 64.6° | 175.9° |
| C59 | C61 | H100 | H101 | 120.0° | 120.0° |
| C59 | C61 | H100 | H102 | 120.0° | 120.0° |
| C59 | C61 | H101 | H102 | 120.0° | 120.0° |
| H96 | C59 | C60 | H97 | 62.3° | 175.9° |
| H96 | C59 | C60 | H98 | 57.7° | 55.9° |
| H96 | C59 | C60 | H99 | 177.6° | 64.1° |
| H96 | C59 | C61 | H100 | 62.1° | 59.6° |
| H96 | C59 | C61 | H101 | 177.9° | 60.5° |
| H96 | C59 | C61 | H102 | 57.9° | 179.5° |
| H97 | C60 | H98 | H99 | 120.0° | 120.0° |
| H100 | C61 | H101 | H102 | 120.0° | 120.0° |
| O13 | C62 | N15 | C63 | 6.5° | 3.5° |
| O13 | C62 | N15 | H103 | 173.5° | 176.5° |
| O14 | C64 | C63 | N16 | 179.6° | 179.9° |
| O14 | C64 | C63 | C65 | 56.8° | 90.8° |
| O14 | C64 | C63 | N15 | 122.6° | 89.2° |
| O14 | C64 | N16 | C69 | 2.3° | 5.0° |
| O14 | C64 | N16 | H112 | 177.7° | 175.0° |
| C64 | C63 | C65 | C66 | 0.9° | 4.8° |
| C64 | C63 | C65 | N15 | 179.4° | 179.9° |
| C64 | C63 | C65 | C67 | 177.7° | 175.3° |
| C64 | C63 | N15 | H103 | 115.6° | 174.5° |
| C63 | C64 | N16 | C69 | 178.1° | 175.0° |
| C63 | C64 | N16 | H112 | 1.9° | 5.0° |
| C64 | C63 | N15 | C62 | 64.4° | 5.6° |
| C68 | C66 | C65 | H104 | 120.9° | 120.0° |
| C68 | C66 | C65 | H105 | 120.9° | 120.0° |
| C68 | C66 | C65 | C63 | 72.4° | 96.6° |
| C68 | C66 | C65 | C67 | 108.9° | 83.4° |
| C68 | C66 | H104 | H105 | 117.1° | 120.0° |
| C66 | C68 | H109 | H110 | 120.0° | 120.0° |
| C66 | C68 | H109 | H111 | 120.0° | 120.0° |
| C66 | C68 | H110 | H111 | 120.0° | 120.1° |
| C66 | C65 | C63 | C67 | 178.6° | 179.9° |
| C66 | C65 | C63 | N15 | 179.7° | 175.3° |
| C65 | C66 | H104 | H105 | 117.1° | 120.0° |
| C66 | C65 | C67 | H106 | 180.0° | 95.3° |
| C66 | C65 | C67 | H107 | 60.0° | 24.7° |
| C66 | C65 | C67 | H108 | 60.0° | 144.8° |
| C65 | C66 | C68 | H109 | 180.0° | 60.0° |
| C65 | C66 | C68 | H110 | 60.0° | 180.0° |
| C65 | C66 | C68 | H111 | 60.0° | 60.0° |
| C65 | C63 | N15 | H103 | 64.9° | 5.4° |
| C63 | C65 | C66 | H104 | 166.7° | 143.4° |
| C63 | C65 | C66 | H105 | 48.5° | 23.5° |
| C63 | C65 | C67 | H106 | 1.3° | 84.8° |
| C63 | C65 | C67 | H107 | 121.3° | 155.2° |
| C63 | C65 | C67 | H108 | 118.7° | 35.1° |
| C65 | C63 | N15 | C62 | 115.0° | 174.5° |
| C65 | C63 | C64 | N16 | 123.6° | 89.2° |
| N15 | C63 | C65 | C67 | 1.7° | 4.6° |
| C63 | N15 | H103 | C62 | 180.0° | 179.9° |
| N15 | C63 | C64 | N16 | 57.0° | 90.9° |
| C67 | C65 | C66 | H104 | 12.0° | 36.7° |
| C67 | C65 | C66 | H105 | 130.1° | 156.6° |
| C65 | C67 | H106 | H107 | 120.0° | 120.0° |
| C65 | C67 | H106 | H108 | 120.0° | 120.0° |
| C65 | C67 | H107 | H108 | 120.0° | 120.0° |
| H104 | C66 | C68 | H109 | 59.1° | 60.0° |
| H104 | C66 | C68 | H110 | 60.9° | 59.9° |
| H104 | C66 | C68 | H111 | 179.1° | 180.0° |
| H105 | C66 | C68 | H109 | 59.1° | 180.0° |
| H105 | C66 | C68 | H110 | 179.0° | 60.0° |
| H105 | C66 | C68 | H111 | 60.9° | 60.0° |
| H106 | C67 | H107 | H108 | 120.0° | 120.0° |
| H109 | C68 | H110 | H111 | 120.0° | 119.9° |
| C69 | N16 | H112 | C64 | 180.0° | 180.0° |
| N16 | C69 | C70 | C71 | 125.4° | 120.0° |
| N16 | C69 | C70 | H113 | 118.3° | 120.0° |
| N16 | C69 | C71 | H113 | 119.5° | 120.0° |
| N16 | C69 | C70 | H114 | 180.0° | 60.0° |
| N16 | C69 | C70 | H115 | 60.0° | 60.0° |
| N16 | C69 | C70 | H116 | 60.0° | 180.0° |
| N16 | C69 | C71 | O15 | 56.9° | 0.0° |
| N16 | C69 | C71 | N17 | 123.5° | 180.0° |
| H112 | N16 | C69 | C70 | 6.6° | 95.0° |
| H112 | N16 | C69 | C71 | 116.6° | 25.0° |
| H112 | N16 | C69 | H113 | 124.4° | 145.0° |
| C70 | C69 | C71 | H113 | 116.4° | 120.1° |
| C69 | C70 | H114 | H115 | 120.0° | 120.1° |
| C69 | C70 | H114 | H116 | 120.0° | 119.9° |
| C69 | C70 | H115 | H116 | 120.0° | 120.0° |
| C70 | C69 | C71 | O15 | 67.2° | 120.0° |
| C70 | C69 | N16 | C64 | 173.5° | 85.0° |
| C70 | C69 | C71 | N17 | 112.5° | 60.1° |
| C71 | C69 | C70 | H114 | 54.6° | 59.9° |
| C71 | C69 | C70 | H115 | 65.4° | 180.0° |
| C71 | C69 | C70 | H116 | 174.6° | 60.0° |
| C69 | C71 | O15 | N17 | 179.6° | 180.0° |
| C69 | C71 | N17 | C72 | 166.0° | 180.0° |
| C69 | C71 | N17 | H117 | 14.0° | 0.0° |
| C71 | C69 | N16 | C64 | 63.3° | 155.0° |
| H113 | C69 | C70 | H114 | 61.7° | 180.0° |
| H113 | C69 | C70 | H115 | 178.3° | 59.9° |
| H113 | C69 | C70 | H116 | 58.3° | 60.1° |
| H113 | C69 | C71 | O15 | 176.4° | 120.0° |
| H113 | C69 | N16 | C64 | 55.7° | 35.0° |
| H113 | C69 | C71 | N17 | 3.9° | 60.0° |
| H114 | C70 | H115 | H116 | 120.0° | 120.0° |
| O15 | C71 | N17 | C72 | 13.6° | 0.0° |
| O15 | C71 | N17 | H117 | 166.4° | 180.0° |
| N17 | C72 | C73 | C76 | 127.8° | 120.0° |
| N17 | C72 | C73 | H118 | 115.8° | 120.0° |
| N17 | C72 | C76 | H118 | 116.6° | 120.1° |
| N17 | C72 | C73 | C74 | 51.4° | 59.4° |
| N17 | C72 | C73 | C75 | 175.2° | 60.6° |
| N17 | C72 | C73 | O16 | 66.2° | 179.4° |
| N17 | C72 | C76 | O17 | 68.5° | 12.4° |
| C72 | N17 | H117 | C71 | 180.0° | 180.0° |
| N17 | C72 | C76 | N18 | 108.9° | 167.5° |
| C73 | C72 | C76 | H118 | 116.5° | 120.0° |
| C72 | C73 | C74 | C75 | 124.0° | 120.0° |
| C72 | C73 | C74 | O16 | 118.7° | 120.0° |
| C72 | C73 | C75 | O16 | 119.6° | 120.0° |
| C73 | C72 | C76 | O17 | 58.5° | 107.6° |
| C73 | C72 | N17 | H117 | 15.9° | 95.0° |
| C72 | C73 | C74 | H119 | 180.0° | 60.0° |
| C72 | C73 | C74 | H120 | 60.0° | 180.0° |
| C72 | C73 | C74 | H121 | 60.0° | 60.0° |
| C72 | C73 | C75 | H122 | 180.0° | 60.8° |
| C72 | C73 | C75 | H123 | 60.0° | 179.2° |
| C72 | C73 | C75 | H124 | 60.0° | 59.3° |
| C72 | C73 | O16 | H125 | 32.2° | 66.9° |
| C73 | C72 | N17 | C71 | 164.1° | 85.0° |
| C73 | C72 | C76 | N18 | 124.1° | 72.5° |
| C76 | C72 | C73 | C74 | 179.2° | 60.6° |
| C76 | C72 | C73 | C75 | 57.0° | 179.4° |
| C76 | C72 | C73 | O16 | 61.6° | 59.4° |
| C72 | C76 | O17 | N18 | 177.2° | 179.9° |
| C76 | C72 | N17 | H117 | 112.7° | 25.0° |
| C72 | C76 | N18 | C77 | 144.8° | 176.8° |
| C72 | C76 | N18 | H126 | 35.3° | 3.2° |
| C76 | C72 | N17 | C71 | 67.3° | 155.0° |
| C74 | C73 | C75 | O16 | 117.1° | 120.0° |
| C74 | C73 | C72 | H118 | 64.5° | 179.4° |
| C73 | C74 | H119 | H120 | 120.0° | 120.0° |
| C73 | C74 | H119 | H121 | 120.0° | 120.0° |
| C73 | C74 | H120 | H121 | 120.0° | 120.0° |
| C74 | C73 | C75 | H122 | 56.8° | 179.2° |
| C74 | C73 | C75 | H123 | 63.2° | 59.2° |
| C74 | C73 | C75 | H124 | 176.8° | 60.8° |
| C74 | C73 | O16 | H125 | 151.5° | 53.2° |
| C75 | C73 | C72 | H118 | 59.3° | 59.4° |
| C75 | C73 | C74 | H119 | 56.1° | 60.0° |
| C75 | C73 | C74 | H120 | 176.0° | 60.0° |
| C75 | C73 | C74 | H121 | 64.0° | 180.0° |
| C73 | C75 | H122 | H123 | 120.0° | 120.0° |
| C73 | C75 | H122 | H124 | 120.0° | 120.0° |
| C73 | C75 | H123 | H124 | 120.0° | 120.0° |
| C75 | C73 | O16 | H125 | 88.9° | 173.1° |
| O16 | C73 | C72 | H118 | 178.0° | 60.6° |
| O16 | C73 | C74 | H119 | 61.2° | 180.0° |
| O16 | C73 | C74 | H120 | 58.7° | 60.0° |
| O16 | C73 | C74 | H121 | 178.7° | 60.0° |
| O16 | C73 | C75 | H122 | 60.4° | 59.2° |
| O16 | C73 | C75 | H123 | 179.6° | 60.8° |
| O16 | C73 | C75 | H124 | 59.6° | 179.3° |
| O17 | C76 | C72 | H118 | 175.0° | 132.5° |
| O17 | C76 | N18 | C77 | 38.0° | 3.3° |
| O17 | C76 | N18 | H126 | 142.0° | 176.7° |
| H117 | N17 | C72 | H118 | 131.2° | 145.0° |
| H118 | C72 | N17 | C71 | 48.8° | 35.0° |
| H118 | C72 | C76 | N18 | 7.7° | 47.5° |
| H119 | C74 | H120 | H121 | 120.0° | 120.0° |
| H122 | C75 | H123 | H124 | 120.0° | 120.0° |
| C77 | N18 | H126 | C76 | 180.0° | 180.0° |
| N18 | C77 | C78 | H127 | 120.5° | 120.0° |
| N18 | C77 | C78 | H128 | 120.5° | 119.9° |
| N18 | C77 | H127 | H128 | 118.5° | 120.0° |
| N18 | C77 | C78 | C79 | 173.8° | 180.0° |
| N18 | C77 | C78 | H129 | 65.7° | 60.0° |
| N18 | C77 | C78 | H130 | 53.3° | 60.0° |
| H126 | N18 | C77 | C78 | 115.8° | 0.0° |
| H126 | N18 | C77 | H127 | 4.7° | 120.0° |
| H126 | N18 | C77 | H128 | 123.8° | 119.9° |
| C78 | C77 | H127 | H128 | 118.6° | 120.0° |
| C77 | C78 | C79 | H129 | 120.5° | 120.0° |
| C77 | C78 | C79 | H130 | 120.5° | 120.0° |
| C77 | C78 | H129 | H130 | 118.4° | 120.1° |
| C77 | C78 | C79 | C80 | 151.3° | 180.0° |
| C77 | C78 | C79 | H131 | 30.9° | 60.1° |
| C77 | C78 | C79 | H132 | 88.2° | 60.0° |
| C78 | C77 | N18 | C76 | 64.3° | 180.0° |
| H127 | C77 | C78 | C79 | 53.3° | 60.0° |
| H127 | C77 | C78 | H129 | 173.8° | 180.0° |
| H127 | C77 | C78 | H130 | 67.2° | 60.0° |
| H127 | C77 | N18 | C76 | 175.3° | 60.0° |
| H128 | C77 | C78 | C79 | 65.7° | 60.0° |
| H128 | C77 | C78 | H129 | 54.8° | 59.9° |
| H128 | C77 | C78 | H130 | 173.7° | 180.0° |
| H128 | C77 | N18 | C76 | 56.2° | 60.0° |
| C79 | C78 | H129 | H130 | 118.5° | 120.0° |
| C78 | C79 | C80 | H131 | 120.4° | 119.9° |
| C78 | C79 | C80 | H132 | 120.4° | 120.0° |
| C78 | C79 | H131 | H132 | 118.7° | 120.0° |
| C78 | C79 | C80 | N19 | 167.8° | 180.0° |
| C78 | C79 | C80 | H133 | 71.7° | 60.0° |
| C78 | C79 | C80 | H134 | 47.3° | 60.0° |
| H129 | C78 | C79 | C80 | 88.2° | 60.0° |
| H129 | C78 | C79 | H131 | 151.4° | 180.0° |
| H129 | C78 | C79 | H132 | 32.3° | 60.0° |
| H130 | C78 | C79 | C80 | 30.8° | 60.0° |
| H130 | C78 | C79 | H131 | 89.6° | 60.0° |
| H130 | C78 | C79 | H132 | 151.3° | 180.0° |
| C80 | C79 | H131 | H132 | 118.7° | 120.0° |
| C79 | C80 | N19 | H133 | 120.5° | 120.0° |
| C79 | C80 | N19 | H134 | 120.5° | 120.0° |
| C79 | C80 | H133 | H134 | 118.4° | 120.0° |
| C79 | C80 | N19 | C81 | 178.7° | 180.0° |
| C79 | C80 | N19 | H135 | 1.3° | 0.0° |
| H131 | C79 | C80 | N19 | 47.3° | 60.0° |
| H131 | C79 | C80 | H133 | 167.8° | 180.0° |
| H131 | C79 | C80 | H134 | 73.1° | 60.0° |
| H132 | C79 | C80 | N19 | 71.8° | 60.0° |
| H132 | C79 | C80 | H133 | 48.7° | 60.0° |
| H132 | C79 | C80 | H134 | 167.7° | 180.0° |
| N19 | C80 | H133 | H134 | 118.4° | 120.0° |
| C80 | N19 | C81 | H135 | 180.0° | 179.9° |
| C80 | N19 | C81 | N20 | 17.8° | 0.0° |
| C80 | N19 | C81 | N21 | 162.7° | 180.0° |
| H133 | C80 | N19 | C81 | 60.8° | 60.0° |
| H133 | C80 | N19 | H135 | 119.2° | 120.0° |
| H134 | C80 | N19 | C81 | 58.2° | 60.0° |
| H134 | C80 | N19 | H135 | 121.8° | 120.1° |
| N19 | C81 | N20 | N21 | 179.5° | 180.0° |
| N19 | C81 | N20 | H136 | 179.5° | 180.0° |
| N19 | C81 | N21 | H137 | 179.4° | 0.0° |
| N19 | C81 | N21 | H138 | 0.5° | 180.0° |
| H135 | N19 | C81 | N20 | 162.2° | 180.0° |
| H135 | N19 | C81 | N21 | 17.3° | 0.1° |
| N20 | C81 | N21 | H137 | 0.0° | 180.0° |
| N20 | C81 | N21 | H138 | 180.0° | 0.0° |
| N21 | C81 | N20 | H136 | 0.0° | 0.0° |
| C81 | N21 | H137 | H138 | 180.0° | 180.0° |
