PRD_002510
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C4 | doub | 1.21Å | 1.25Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | O3 | sing | 1.34Å | 1.25Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O1 | C2 | doub | 1.21Å | 1.25Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| N2 | C5 | sing | 1.47Å | 1.46Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | doub | 1.21Å | 1.23Å | |
| C7 | O5 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.46Å | 1.46Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | O6 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.35Å | Aromatic |
| N4 | C14 | doub | 1.30Å | 1.32Å | Aromatic |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C13 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | N5 | sing | 1.35Å | 1.32Å | Aromatic |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | O7 | doub | 1.21Å | 1.25Å | |
| C16 | N6 | sing | 1.47Å | 1.49Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | C17 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| N7 | C35 | sing | 1.47Å | 1.47Å | |
| N7 | C32 | sing | 1.47Å | 1.47Å | |
| C35 | C34 | sing | 1.55Å | 1.53Å | |
| C32 | C33 | sing | 1.54Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.55Å | 1.53Å | |
| C31 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | O8 | doub | 1.21Å | 1.25Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| N8 | C36 | sing | 1.47Å | 1.46Å | |
| N8 | H44 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | N9 | sing | 1.46Å | 1.46Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| N9 | C41 | sing | 1.37Å | 1.32Å | |
| N9 | H52 | sing | 0.97Å | 1.00Å | |
| C41 | N10 | sing | 1.33Å | 1.32Å | |
| C41 | N11 | doub | 1.33Å | 1.33Å | |
| N10 | H53 | sing | 0.97Å | 1.00Å | |
| N10 | H54 | sing | 0.97Å | 1.00Å | |
| N11 | H55 | sing | 0.97Å | 1.00Å | |
| N11 | H56 | sing | 0.97Å | 1.00Å | |
| N12 | C42 | sing | 1.46Å | 1.46Å | |
| N12 | H57 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | C44 | sing | 1.53Å | 1.53Å | |
| C42 | H58 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.21Å | 1.23Å | |
| C44 | S1 | sing | 1.81Å | 1.81Å | |
| C44 | H59 | sing | 1.09Å | 1.10Å | |
| C44 | H60 | sing | 1.09Å | 1.10Å | |
| S1 | H61 | sing | 1.34Å | 1.30Å | |
| N13 | C45 | sing | 1.46Å | 1.46Å | |
| N13 | H62 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H63 | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H64 | sing | 1.09Å | 1.10Å | |
| C47 | H65 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | H66 | sing | 1.09Å | 1.10Å | |
| C48 | H67 | sing | 1.09Å | 1.10Å | |
| C49 | N14 | sing | 1.47Å | 1.46Å | |
| C49 | H68 | sing | 1.09Å | 1.10Å | |
| C49 | H69 | sing | 1.09Å | 1.10Å | |
| N14 | C50 | sing | 1.37Å | 1.33Å | |
| N14 | H70 | sing | 0.97Å | 1.00Å | |
| C50 | N15 | sing | 1.33Å | 1.32Å | |
| C50 | N16 | doub | 1.33Å | 1.33Å | |
| N15 | H71 | sing | 0.97Å | 1.00Å | |
| N15 | H72 | sing | 0.97Å | 1.00Å | |
| N16 | H73 | sing | 0.97Å | 1.00Å | |
| N16 | H74 | sing | 0.97Å | 1.00Å | |
| N17 | C51 | sing | 1.47Å | 1.50Å | |
| N17 | H75 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | C59 | sing | 1.53Å | 1.54Å | |
| C51 | H76 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.51Å | 1.51Å | |
| C52 | H77 | sing | 1.09Å | 1.10Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C58 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | H79 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | H80 | sing | 1.08Å | 1.08Å | |
| C56 | C57 | sing | 1.38Å | 1.38Å | Aromatic |
| C56 | H81 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | H82 | sing | 1.08Å | 1.08Å | |
| C58 | H83 | sing | 1.08Å | 1.08Å | |
| C59 | C60 | sing | 1.51Å | 1.52Å | |
| C59 | H84 | sing | 1.09Å | 1.10Å | |
| C59 | H85 | sing | 1.09Å | 1.10Å | |
| C60 | O12 | doub | 1.21Å | 1.25Å | |
| C61 | O13 | doub | 1.21Å | 1.25Å | |
| C61 | C62 | sing | 1.51Å | 1.52Å | |
| C62 | C63 | sing | 1.53Å | 1.50Å | |
| C62 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | H87 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | H88 | sing | 1.09Å | 1.10Å | |
| C63 | H89 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| C64 | H90 | sing | 1.09Å | 1.10Å | |
| C64 | H91 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.52Å | |
| C65 | H92 | sing | 1.09Å | 1.10Å | |
| C65 | H93 | sing | 1.09Å | 1.10Å | |
| C66 | N18 | sing | 1.47Å | 1.48Å | |
| C66 | H94 | sing | 1.09Å | 1.10Å | |
| C66 | H95 | sing | 1.09Å | 1.10Å | |
| N18 | H96 | sing | 0.97Å | 1.00Å | |
| C68 | C67 | sing | 1.51Å | 1.52Å | |
| C68 | O14 | doub | 1.21Å | 1.25Å | |
| C67 | N19 | sing | 1.46Å | 1.47Å | |
| O15 | C70 | doub | 1.21Å | 1.23Å | |
| N19 | C69 | sing | 1.47Å | 1.50Å | |
| C70 | C69 | sing | 1.51Å | 1.51Å | |
| C70 | N20 | sing | 1.35Å | 1.32Å | |
| C67 | H97 | sing | 1.09Å | 1.10Å | |
| C67 | H98 | sing | 1.09Å | 1.10Å | |
| C69 | H99 | sing | 1.09Å | 1.10Å | |
| C69 | H100 | sing | 1.09Å | 1.10Å | |
| N20 | H101 | sing | 0.97Å | 1.00Å | |
| N20 | H102 | sing | 0.97Å | 1.00Å | |
| C71 | C79 | sing | 1.53Å | 1.51Å | |
| C79 | C80 | sing | 1.53Å | 1.51Å | |
| C80 | C81 | sing | 1.53Å | 1.51Å | |
| C81 | C82 | sing | 1.53Å | 1.51Å | |
| C82 | C83 | sing | 1.53Å | 1.51Å | |
| C83 | C84 | sing | 1.53Å | 1.51Å | |
| C84 | C85 | sing | 1.53Å | 1.51Å | |
| C85 | C86 | sing | 1.53Å | 1.51Å | |
| C86 | C72 | sing | 1.53Å | 1.51Å | |
| C72 | C73 | sing | 1.53Å | 1.51Å | |
| C73 | C74 | sing | 1.53Å | 1.51Å | |
| C74 | C75 | sing | 1.53Å | 1.51Å | |
| C75 | C76 | sing | 1.53Å | 1.51Å | |
| C76 | C77 | sing | 1.53Å | 1.51Å | |
| C77 | C78 | sing | 1.53Å | 1.51Å | |
| C78 | N21 | sing | 1.47Å | 1.48Å | |
| N21 | H103 | sing | 0.97Å | 1.00Å | |
| C71 | H104 | sing | 1.09Å | 1.10Å | |
| C71 | H105 | sing | 1.09Å | 1.10Å | |
| C71 | H106 | sing | 1.09Å | 1.10Å | |
| C72 | H107 | sing | 1.09Å | 1.10Å | |
| C72 | H108 | sing | 1.09Å | 1.10Å | |
| C73 | H109 | sing | 1.09Å | 1.10Å | |
| C73 | H110 | sing | 1.09Å | 1.10Å | |
| C74 | H111 | sing | 1.09Å | 1.10Å | |
| C74 | H112 | sing | 1.09Å | 1.10Å | |
| C75 | H113 | sing | 1.09Å | 1.10Å | |
| C75 | H114 | sing | 1.09Å | 1.10Å | |
| C76 | H115 | sing | 1.09Å | 1.10Å | |
| C76 | H116 | sing | 1.09Å | 1.10Å | |
| C77 | H117 | sing | 1.09Å | 1.10Å | |
| C77 | H118 | sing | 1.09Å | 1.10Å | |
| C78 | H119 | sing | 1.09Å | 1.10Å | |
| C78 | H120 | sing | 1.09Å | 1.10Å | |
| C79 | H121 | sing | 1.09Å | 1.10Å | |
| C79 | H122 | sing | 1.09Å | 1.10Å | |
| C80 | H123 | sing | 1.09Å | 1.10Å | |
| C80 | H124 | sing | 1.09Å | 1.10Å | |
| C81 | H125 | sing | 1.09Å | 1.10Å | |
| C81 | H126 | sing | 1.09Å | 1.10Å | |
| C82 | H127 | sing | 1.09Å | 1.10Å | |
| C82 | H128 | sing | 1.09Å | 1.10Å | |
| C83 | H129 | sing | 1.09Å | 1.10Å | |
| C83 | H130 | sing | 1.09Å | 1.10Å | |
| C84 | H131 | sing | 1.09Å | 1.10Å | |
| C84 | H132 | sing | 1.09Å | 1.10Å | |
| C85 | H133 | sing | 1.09Å | 1.10Å | |
| C85 | H134 | sing | 1.09Å | 1.10Å | |
| C86 | H135 | sing | 1.09Å | 1.10Å | |
| C86 | H136 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C6 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | N6 | sing | 1.35Å | 1.33Å | |
| C15 | N7 | sing | 1.35Å | 1.33Å | |
| C30 | N8 | sing | 1.35Å | 1.33Å | |
| C37 | N12 | sing | 1.35Å | 1.33Å | |
| C43 | N13 | sing | 1.35Å | 1.33Å | |
| C46 | N17 | sing | 1.35Å | 1.33Å | |
| C60 | N18 | sing | 1.35Å | 1.33Å | |
| C61 | N19 | sing | 1.35Å | 1.33Å | |
| C68 | N21 | sing | 1.35Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C4 | C3 | 117.1° | 120.0° |
| O2 | C4 | O3 | 125.7° | 120.0° |
| C3 | C4 | O3 | 117.2° | 120.0° |
| C4 | C3 | N1 | 110.9° | 109.5° |
| C4 | C3 | H4 | 109.1° | 109.5° |
| C4 | C3 | H5 | 109.1° | 109.4° |
| C4 | O3 | H6 | 109.5° | 117.0° |
| C3 | N1 | C1 | 111.8° | 111.0° |
| C3 | N1 | H1 | 108.9° | 111.0° |
| N1 | C3 | H4 | 109.1° | 109.5° |
| N1 | C3 | H5 | 109.1° | 109.5° |
| N1 | C1 | C2 | 113.2° | 109.4° |
| C1 | N1 | H1 | 108.9° | 111.0° |
| N1 | C1 | H2 | 108.5° | 109.5° |
| N1 | C1 | H3 | 108.5° | 109.4° |
| C1 | C2 | O1 | 118.1° | 120.0° |
| C2 | C1 | H2 | 108.5° | 109.5° |
| C2 | C1 | H3 | 108.5° | 109.5° |
| C1 | C2 | N2 | 117.3° | 120.0° |
| O1 | C2 | N2 | 124.5° | 120.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C5 | N2 | H7 | 118.5° | 120.0° |
| N2 | C5 | C6 | 113.1° | 109.5° |
| N2 | C5 | C7 | 111.1° | 109.5° |
| N2 | C5 | H8 | 108.6° | 109.5° |
| C5 | N2 | C2 | 123.0° | 120.0° |
| H7 | N2 | C2 | 118.5° | 120.0° |
| C6 | C5 | C7 | 108.3° | 109.4° |
| C6 | C5 | H8 | 107.8° | 109.5° |
| C5 | C6 | O4 | 121.0° | 120.0° |
| C5 | C6 | N3 | 115.8° | 120.0° |
| C7 | C5 | H8 | 107.6° | 109.4° |
| C5 | C7 | O5 | 109.5° | 109.5° |
| C5 | C7 | C8 | 110.4° | 109.5° |
| C5 | C7 | H9 | 108.6° | 109.5° |
| O4 | C6 | N3 | 123.2° | 120.0° |
| O5 | C7 | C8 | 109.3° | 109.5° |
| O5 | C7 | H9 | 110.1° | 109.4° |
| C7 | O5 | H10 | 109.5° | 114.0° |
| C8 | C7 | H9 | 108.9° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.4° | 109.4° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| C9 | N3 | H14 | 119.0° | 120.0° |
| N3 | C9 | C10 | 109.6° | 109.5° |
| N3 | C9 | C11 | 110.6° | 109.5° |
| N3 | C9 | H15 | 109.2° | 109.5° |
| C9 | N3 | C6 | 122.0° | 120.0° |
| H14 | N3 | C6 | 119.0° | 120.0° |
| C10 | C9 | C11 | 110.7° | 109.5° |
| C10 | C9 | H15 | 108.3° | 109.5° |
| C9 | C10 | O6 | 120.7° | 120.0° |
| C9 | C10 | N6 | 116.2° | 120.0° |
| C11 | C9 | H15 | 108.3° | 109.5° |
| C9 | C11 | C12 | 113.7° | 109.4° |
| C9 | C11 | H16 | 108.4° | 109.5° |
| C9 | C11 | H17 | 108.4° | 109.5° |
| O6 | C10 | N6 | 123.0° | 119.9° |
| C12 | C11 | H16 | 108.4° | 109.4° |
| C12 | C11 | H17 | 108.4° | 109.5° |
| C11 | C12 | N4 | 122.7° | 126.0° |
| C11 | C12 | C13 | 131.2° | 126.0° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| N4 | C12 | C13 | 106.1° | 108.0° |
| C12 | N4 | C14 | 109.4° | 109.3° |
| C12 | N4 | H18 | 125.3° | 125.4° |
| C12 | C13 | N5 | 107.2° | 106.8° |
| C12 | C13 | H19 | 126.4° | 126.6° |
| C14 | N4 | H18 | 125.3° | 125.4° |
| N4 | C14 | N5 | 108.4° | 108.7° |
| N4 | C14 | H20 | 125.8° | 125.6° |
| N5 | C13 | H19 | 126.4° | 126.6° |
| C13 | N5 | C14 | 108.9° | 107.2° |
| C13 | N5 | H21 | 125.5° | 126.4° |
| N5 | C14 | H20 | 125.8° | 125.7° |
| C14 | N5 | H21 | 125.5° | 126.4° |
| C16 | C15 | O7 | 118.4° | 120.0° |
| C15 | C16 | N6 | 108.3° | 109.5° |
| C15 | C16 | C17 | 111.7° | 109.5° |
| C15 | C16 | H23 | 107.7° | 109.5° |
| C16 | C15 | N7 | 118.0° | 119.9° |
| O7 | C15 | N7 | 123.6° | 120.1° |
| C16 | N6 | H22 | 119.5° | 120.0° |
| N6 | C16 | C17 | 113.0° | 109.5° |
| N6 | C16 | H23 | 108.2° | 109.4° |
| C16 | N6 | C10 | 121.1° | 120.0° |
| H22 | N6 | C10 | 119.4° | 119.9° |
| C17 | C16 | H23 | 107.7° | 109.5° |
| C16 | C17 | C25 | 116.4° | 109.5° |
| C16 | C17 | C18 | 114.4° | 109.4° |
| C16 | C17 | H24 | 104.1° | 109.5° |
| C25 | C17 | C18 | 111.9° | 109.4° |
| C25 | C17 | H24 | 104.1° | 109.5° |
| C17 | C25 | C23 | 121.8° | 120.0° |
| C17 | C25 | C24 | 120.4° | 120.0° |
| C18 | C17 | H24 | 104.2° | 109.5° |
| C17 | C18 | C26 | 120.8° | 120.0° |
| C17 | C18 | C27 | 120.9° | 120.0° |
| C26 | C18 | C27 | 118.3° | 120.0° |
| C18 | C26 | C28 | 120.8° | 120.0° |
| C18 | C26 | H31 | 119.6° | 120.0° |
| C18 | C27 | C29 | 120.7° | 120.0° |
| C18 | C27 | H32 | 119.6° | 120.0° |
| C28 | C19 | C29 | 120.0° | 120.0° |
| C28 | C19 | H25 | 120.0° | 120.0° |
| C19 | C28 | C26 | 120.1° | 120.0° |
| C19 | C28 | H33 | 119.9° | 119.9° |
| C29 | C19 | H25 | 120.0° | 120.0° |
| C19 | C29 | C27 | 120.2° | 119.9° |
| C19 | C29 | H34 | 119.9° | 120.0° |
| C21 | C20 | C22 | 119.9° | 120.0° |
| C21 | C20 | H26 | 120.1° | 120.0° |
| C20 | C21 | C23 | 120.2° | 120.0° |
| C20 | C21 | H27 | 119.9° | 120.0° |
| C22 | C20 | H26 | 120.1° | 120.0° |
| C20 | C22 | C24 | 120.2° | 120.0° |
| C20 | C22 | H28 | 119.9° | 120.0° |
| C23 | C21 | H27 | 119.9° | 120.0° |
| C21 | C23 | C25 | 120.9° | 120.0° |
| C21 | C23 | H29 | 119.6° | 120.0° |
| C24 | C22 | H28 | 119.9° | 120.0° |
| C22 | C24 | C25 | 121.0° | 120.0° |
| C22 | C24 | H30 | 119.5° | 120.0° |
| C25 | C23 | H29 | 119.5° | 120.1° |
| C23 | C25 | C24 | 117.9° | 120.0° |
| C25 | C24 | H30 | 119.5° | 120.0° |
| C28 | C26 | H31 | 119.6° | 120.0° |
| C26 | C28 | H33 | 120.0° | 120.1° |
| C29 | C27 | H32 | 119.6° | 120.0° |
| C27 | C29 | H34 | 119.9° | 120.0° |
| C35 | N7 | C32 | 102.0° | 108.7° |
| N7 | C35 | C34 | 103.1° | 104.9° |
| N7 | C35 | H42 | 111.0° | 110.4° |
| N7 | C35 | H43 | 111.0° | 110.5° |
| C35 | N7 | C15 | 135.2° | 125.7° |
| N7 | C32 | C33 | 100.3° | 107.2° |
| N7 | C32 | C31 | 112.4° | 109.9° |
| N7 | C32 | H37 | 110.5° | 110.0° |
| C32 | N7 | C15 | 120.6° | 125.6° |
| C35 | C34 | C33 | 104.1° | 101.6° |
| C35 | C34 | H40 | 110.8° | 111.1° |
| C35 | C34 | H41 | 110.8° | 111.1° |
| C34 | C35 | H42 | 111.1° | 110.3° |
| C34 | C35 | H43 | 111.0° | 110.3° |
| C33 | C32 | C31 | 113.8° | 109.9° |
| C32 | C33 | C34 | 104.2° | 102.9° |
| C33 | C32 | H37 | 109.7° | 109.8° |
| C32 | C33 | H38 | 110.8° | 110.7° |
| C32 | C33 | H39 | 110.8° | 110.8° |
| C32 | C31 | C30 | 110.7° | 109.5° |
| C32 | C31 | H35 | 109.2° | 109.5° |
| C32 | C31 | H36 | 109.2° | 109.5° |
| C31 | C32 | H37 | 109.7° | 109.9° |
| C34 | C33 | H38 | 110.8° | 110.7° |
| C34 | C33 | H39 | 110.8° | 110.9° |
| C33 | C34 | H40 | 110.8° | 111.0° |
| C33 | C34 | H41 | 110.8° | 111.0° |
| C31 | C30 | O8 | 116.2° | 120.0° |
| C30 | C31 | H35 | 109.2° | 109.4° |
| C30 | C31 | H36 | 109.1° | 109.5° |
| C31 | C30 | N8 | 110.3° | 119.9° |
| O8 | C30 | N8 | 122.4° | 120.0° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 110.6° |
| H40 | C34 | H41 | 109.5° | 110.9° |
| H42 | C35 | H43 | 109.5° | 110.3° |
| C36 | N8 | H44 | 118.9° | 120.0° |
| N8 | C36 | C37 | 111.8° | 109.5° |
| N8 | C36 | C38 | 108.9° | 109.5° |
| N8 | C36 | H45 | 108.7° | 109.5° |
| C36 | N8 | C30 | 122.3° | 119.9° |
| H44 | N8 | C30 | 118.8° | 120.0° |
| C37 | C36 | C38 | 111.7° | 109.5° |
| C37 | C36 | H45 | 107.8° | 109.5° |
| C36 | C37 | O9 | 120.5° | 120.0° |
| C36 | C37 | N12 | 116.8° | 120.0° |
| C38 | C36 | H45 | 107.8° | 109.5° |
| C36 | C38 | C39 | 112.5° | 109.5° |
| C36 | C38 | H46 | 108.7° | 109.5° |
| C36 | C38 | H47 | 108.7° | 109.4° |
| O9 | C37 | N12 | 122.7° | 120.0° |
| C39 | C38 | H46 | 108.7° | 109.5° |
| C39 | C38 | H47 | 108.7° | 109.5° |
| C38 | C39 | C40 | 112.3° | 109.5° |
| C38 | C39 | H48 | 108.8° | 109.5° |
| C38 | C39 | H49 | 108.8° | 109.5° |
| H46 | C38 | H47 | 109.5° | 109.5° |
| C40 | C39 | H48 | 108.8° | 109.5° |
| C40 | C39 | H49 | 108.8° | 109.4° |
| C39 | C40 | N9 | 110.2° | 109.5° |
| C39 | C40 | H50 | 109.3° | 109.5° |
| C39 | C40 | H51 | 109.3° | 109.4° |
| H48 | C39 | H49 | 109.4° | 109.5° |
| N9 | C40 | H50 | 109.3° | 109.4° |
| N9 | C40 | H51 | 109.3° | 109.5° |
| C40 | N9 | C41 | 124.9° | 120.0° |
| C40 | N9 | H52 | 117.5° | 120.0° |
| H50 | C40 | H51 | 109.4° | 109.5° |
| C41 | N9 | H52 | 117.6° | 120.0° |
| N9 | C41 | N10 | 121.5° | 120.0° |
| N9 | C41 | N11 | 119.0° | 120.0° |
| N10 | C41 | N11 | 119.4° | 120.0° |
| C41 | N10 | H53 | 120.0° | 120.0° |
| C41 | N10 | H54 | 120.0° | 120.0° |
| C41 | N11 | H55 | 120.0° | 120.0° |
| C41 | N11 | H56 | 120.0° | 120.0° |
| H53 | N10 | H54 | 120.0° | 119.9° |
| H55 | N11 | H56 | 120.0° | 120.0° |
| C42 | N12 | H57 | 119.5° | 120.0° |
| N12 | C42 | C43 | 112.0° | 109.5° |
| N12 | C42 | C44 | 109.9° | 109.4° |
| N12 | C42 | H58 | 108.8° | 109.5° |
| C42 | N12 | C37 | 121.1° | 120.0° |
| H57 | N12 | C37 | 119.5° | 120.0° |
| C43 | C42 | C44 | 110.1° | 109.5° |
| C43 | C42 | H58 | 108.0° | 109.5° |
| C42 | C43 | O10 | 120.1° | 120.0° |
| C42 | C43 | N13 | 117.4° | 120.0° |
| C44 | C42 | H58 | 107.9° | 109.4° |
| C42 | C44 | S1 | 113.7° | 109.5° |
| C42 | C44 | H59 | 108.4° | 109.5° |
| C42 | C44 | H60 | 108.4° | 109.5° |
| O10 | C43 | N13 | 122.5° | 120.0° |
| S1 | C44 | H59 | 108.4° | 109.4° |
| S1 | C44 | H60 | 108.4° | 109.5° |
| C44 | S1 | H61 | 102.0° | 103.0° |
| H59 | C44 | H60 | 109.5° | 109.5° |
| C45 | N13 | H62 | 119.2° | 120.0° |
| N13 | C45 | C46 | 109.7° | 109.5° |
| N13 | C45 | C47 | 110.9° | 109.5° |
| N13 | C45 | H63 | 109.0° | 109.5° |
| C45 | N13 | C43 | 121.6° | 120.0° |
| H62 | N13 | C43 | 119.2° | 120.0° |
| C46 | C45 | C47 | 110.6° | 109.4° |
| C46 | C45 | H63 | 108.2° | 109.5° |
| C45 | C46 | O11 | 120.7° | 120.0° |
| C45 | C46 | N17 | 116.3° | 120.0° |
| C47 | C45 | H63 | 108.2° | 109.4° |
| C45 | C47 | C48 | 113.9° | 109.5° |
| C45 | C47 | H64 | 108.3° | 109.4° |
| C45 | C47 | H65 | 108.4° | 109.5° |
| O11 | C46 | N17 | 123.0° | 120.0° |
| C48 | C47 | H64 | 108.4° | 109.5° |
| C48 | C47 | H65 | 108.4° | 109.5° |
| C47 | C48 | C49 | 111.3° | 109.5° |
| C47 | C48 | H66 | 109.0° | 109.5° |
| C47 | C48 | H67 | 109.0° | 109.5° |
| H64 | C47 | H65 | 109.4° | 109.5° |
| C49 | C48 | H66 | 109.0° | 109.5° |
| C49 | C48 | H67 | 109.0° | 109.4° |
| C48 | C49 | N14 | 112.3° | 109.5° |
| C48 | C49 | H68 | 108.8° | 109.5° |
| C48 | C49 | H69 | 108.8° | 109.5° |
| H66 | C48 | H67 | 109.5° | 109.5° |
| N14 | C49 | H68 | 108.7° | 109.4° |
| N14 | C49 | H69 | 108.8° | 109.5° |
| C49 | N14 | C50 | 124.7° | 120.1° |
| C49 | N14 | H70 | 117.6° | 119.9° |
| H68 | C49 | H69 | 109.4° | 109.4° |
| C50 | N14 | H70 | 117.7° | 120.1° |
| N14 | C50 | N15 | 121.6° | 120.0° |
| N14 | C50 | N16 | 119.1° | 120.0° |
| N15 | C50 | N16 | 119.2° | 120.0° |
| C50 | N15 | H71 | 120.0° | 120.0° |
| C50 | N15 | H72 | 120.0° | 119.9° |
| C50 | N16 | H73 | 120.0° | 120.0° |
| C50 | N16 | H74 | 120.0° | 119.9° |
| H71 | N15 | H72 | 120.0° | 120.0° |
| H73 | N16 | H74 | 120.0° | 120.1° |
| C51 | N17 | H75 | 119.6° | 119.9° |
| N17 | C51 | C52 | 108.3° | 109.5° |
| N17 | C51 | C59 | 115.9° | 109.5° |
| N17 | C51 | H76 | 108.0° | 109.4° |
| C51 | N17 | C46 | 120.9° | 120.1° |
| H75 | N17 | C46 | 119.5° | 120.0° |
| C52 | C51 | C59 | 109.4° | 109.5° |
| C52 | C51 | H76 | 107.5° | 109.5° |
| C51 | C52 | C53 | 111.9° | 109.5° |
| C51 | C52 | H77 | 108.9° | 109.5° |
| C51 | C52 | H78 | 108.8° | 109.5° |
| C59 | C51 | H76 | 107.5° | 109.5° |
| C51 | C59 | C60 | 115.1° | 109.5° |
| C51 | C59 | H84 | 108.0° | 109.5° |
| C51 | C59 | H85 | 108.0° | 109.5° |
| C53 | C52 | H77 | 108.8° | 109.4° |
| C53 | C52 | H78 | 108.8° | 109.4° |
| C52 | C53 | C54 | 120.8° | 120.0° |
| C52 | C53 | C58 | 120.9° | 120.0° |
| H77 | C52 | H78 | 109.5° | 109.5° |
| C54 | C53 | C58 | 118.3° | 120.0° |
| C53 | C54 | C55 | 120.8° | 120.0° |
| C53 | C54 | H79 | 119.6° | 120.0° |
| C53 | C58 | C57 | 120.8° | 120.0° |
| C53 | C58 | H83 | 119.6° | 120.0° |
| C55 | C54 | H79 | 119.6° | 120.0° |
| C54 | C55 | C56 | 120.2° | 120.0° |
| C54 | C55 | H80 | 119.9° | 120.0° |
| C56 | C55 | H80 | 119.9° | 120.0° |
| C55 | C56 | C57 | 119.7° | 120.0° |
| C55 | C56 | H81 | 120.2° | 120.1° |
| C57 | C56 | H81 | 120.2° | 120.0° |
| C56 | C57 | C58 | 120.2° | 120.0° |
| C56 | C57 | H82 | 119.9° | 119.9° |
| C58 | C57 | H82 | 119.9° | 120.1° |
| C57 | C58 | H83 | 119.6° | 120.0° |
| C60 | C59 | H84 | 108.0° | 109.5° |
| C60 | C59 | H85 | 108.0° | 109.4° |
| C59 | C60 | O12 | 116.9° | 120.0° |
| C59 | C60 | N18 | 111.9° | 120.0° |
| H84 | C59 | H85 | 109.5° | 109.5° |
| O12 | C60 | N18 | 121.9° | 120.0° |
| O13 | C61 | C62 | 118.9° | 120.0° |
| O13 | C61 | N19 | 123.7° | 120.0° |
| C61 | C62 | C63 | 114.9° | 109.5° |
| C61 | C62 | H86 | 108.1° | 109.5° |
| C61 | C62 | H87 | 108.1° | 109.4° |
| C62 | C61 | N19 | 116.3° | 120.0° |
| C63 | C62 | H86 | 108.1° | 109.5° |
| C63 | C62 | H87 | 108.1° | 109.5° |
| C62 | C63 | C64 | 113.4° | 109.5° |
| C62 | C63 | H88 | 108.5° | 109.5° |
| C62 | C63 | H89 | 108.5° | 109.4° |
| H86 | C62 | H87 | 109.5° | 109.5° |
| C64 | C63 | H88 | 108.5° | 109.5° |
| C64 | C63 | H89 | 108.5° | 109.5° |
| C63 | C64 | C65 | 116.6° | 109.5° |
| C63 | C64 | H90 | 107.7° | 109.5° |
| C63 | C64 | H91 | 107.6° | 109.5° |
| H88 | C63 | H89 | 109.5° | 109.5° |
| C65 | C64 | H90 | 107.6° | 109.4° |
| C65 | C64 | H91 | 107.7° | 109.5° |
| C64 | C65 | C66 | 114.9° | 109.5° |
| C64 | C65 | H92 | 108.1° | 109.5° |
| C64 | C65 | H93 | 108.1° | 109.5° |
| H90 | C64 | H91 | 109.5° | 109.5° |
| C66 | C65 | H92 | 108.1° | 109.5° |
| C66 | C65 | H93 | 108.1° | 109.5° |
| C65 | C66 | N18 | 110.7° | 109.4° |
| C65 | C66 | H94 | 109.1° | 109.5° |
| C65 | C66 | H95 | 109.1° | 109.5° |
| H92 | C65 | H93 | 109.5° | 109.4° |
| N18 | C66 | H94 | 109.2° | 109.4° |
| N18 | C66 | H95 | 109.2° | 109.5° |
| C66 | N18 | H96 | 119.3° | 120.0° |
| C66 | N18 | C60 | 121.5° | 120.0° |
| H94 | C66 | H95 | 109.5° | 109.5° |
| H96 | N18 | C60 | 119.3° | 120.0° |
| C67 | C68 | O14 | 117.0° | 120.0° |
| C68 | C67 | N19 | 147.7° | 109.5° |
| C68 | C67 | H97 | 99.2° | 109.5° |
| C68 | C67 | H98 | 99.2° | 109.5° |
| C67 | C68 | N21 | 136.0° | 120.0° |
| O14 | C68 | N21 | 105.9° | 120.0° |
| C67 | N19 | C69 | 100.4° | 120.0° |
| N19 | C67 | H97 | 99.2° | 109.5° |
| N19 | C67 | H98 | 99.3° | 109.5° |
| C67 | N19 | C61 | 121.7° | 120.0° |
| O15 | C70 | C69 | 121.5° | 120.0° |
| O15 | C70 | N20 | 123.6° | 120.1° |
| N19 | C69 | C70 | 110.7° | 109.4° |
| N19 | C69 | H99 | 109.2° | 109.5° |
| N19 | C69 | H100 | 109.2° | 109.5° |
| C69 | N19 | C61 | 123.1° | 120.0° |
| C69 | C70 | N20 | 114.9° | 120.0° |
| C70 | C69 | H99 | 109.1° | 109.4° |
| C70 | C69 | H100 | 109.1° | 109.5° |
| C70 | N20 | H101 | 120.0° | 120.0° |
| C70 | N20 | H102 | 120.0° | 120.0° |
| H97 | C67 | H98 | 109.5° | 109.4° |
| H99 | C69 | H100 | 109.5° | 109.5° |
| H101 | N20 | H102 | 120.0° | 120.0° |
| C71 | C79 | C80 | 113.9° | 109.4° |
| C79 | C71 | H104 | 109.5° | 109.5° |
| C79 | C71 | H105 | 109.4° | 109.5° |
| C79 | C71 | H106 | 109.4° | 109.5° |
| C71 | C79 | H121 | 108.3° | 109.5° |
| C71 | C79 | H122 | 108.3° | 109.5° |
| C79 | C80 | C81 | 114.3° | 109.4° |
| C80 | C79 | H121 | 108.4° | 109.4° |
| C80 | C79 | H122 | 108.4° | 109.5° |
| C79 | C80 | H123 | 108.3° | 109.5° |
| C79 | C80 | H124 | 108.3° | 109.5° |
| C80 | C81 | C82 | 114.3° | 109.5° |
| C81 | C80 | H123 | 108.3° | 109.5° |
| C81 | C80 | H124 | 108.2° | 109.5° |
| C80 | C81 | H125 | 108.2° | 109.5° |
| C80 | C81 | H126 | 108.2° | 109.4° |
| C81 | C82 | C83 | 114.5° | 109.5° |
| C82 | C81 | H125 | 108.3° | 109.5° |
| C82 | C81 | H126 | 108.2° | 109.5° |
| C81 | C82 | H127 | 108.2° | 109.5° |
| C81 | C82 | H128 | 108.2° | 109.5° |
| C82 | C83 | C84 | 114.1° | 109.5° |
| C83 | C82 | H127 | 108.2° | 109.5° |
| C83 | C82 | H128 | 108.2° | 109.5° |
| C82 | C83 | H129 | 108.3° | 109.5° |
| C82 | C83 | H130 | 108.3° | 109.5° |
| C83 | C84 | C85 | 114.4° | 109.5° |
| C84 | C83 | H129 | 108.3° | 109.4° |
| C84 | C83 | H130 | 108.3° | 109.4° |
| C83 | C84 | H131 | 108.2° | 109.4° |
| C83 | C84 | H132 | 108.2° | 109.4° |
| C84 | C85 | C86 | 114.4° | 109.5° |
| C85 | C84 | H131 | 108.3° | 109.5° |
| C85 | C84 | H132 | 108.2° | 109.5° |
| C84 | C85 | H133 | 108.2° | 109.5° |
| C84 | C85 | H134 | 108.2° | 109.4° |
| C85 | C86 | C72 | 114.1° | 109.5° |
| C86 | C85 | H133 | 108.2° | 109.5° |
| C86 | C85 | H134 | 108.2° | 109.5° |
| C85 | C86 | H135 | 108.3° | 109.5° |
| C85 | C86 | H136 | 108.3° | 109.5° |
| C86 | C72 | C73 | 114.7° | 109.5° |
| C86 | C72 | H107 | 108.2° | 109.5° |
| C86 | C72 | H108 | 108.1° | 109.5° |
| C72 | C86 | H135 | 108.3° | 109.4° |
| C72 | C86 | H136 | 108.3° | 109.5° |
| C72 | C73 | C74 | 114.2° | 109.5° |
| C73 | C72 | H107 | 108.1° | 109.4° |
| C73 | C72 | H108 | 108.1° | 109.5° |
| C72 | C73 | H109 | 108.3° | 109.5° |
| C72 | C73 | H110 | 108.3° | 109.4° |
| C73 | C74 | C75 | 114.4° | 109.4° |
| C74 | C73 | H109 | 108.3° | 109.5° |
| C74 | C73 | H110 | 108.3° | 109.5° |
| C73 | C74 | H111 | 108.2° | 109.5° |
| C73 | C74 | H112 | 108.2° | 109.5° |
| C74 | C75 | C76 | 114.6° | 109.4° |
| C75 | C74 | H111 | 108.2° | 109.4° |
| C75 | C74 | H112 | 108.3° | 109.5° |
| C74 | C75 | H113 | 108.2° | 109.5° |
| C74 | C75 | H114 | 108.2° | 109.5° |
| C75 | C76 | C77 | 113.4° | 109.5° |
| C76 | C75 | H113 | 108.2° | 109.5° |
| C76 | C75 | H114 | 108.2° | 109.5° |
| C75 | C76 | H115 | 108.5° | 109.4° |
| C75 | C76 | H116 | 108.5° | 109.4° |
| C76 | C77 | C78 | 113.3° | 109.5° |
| C77 | C76 | H115 | 108.5° | 109.5° |
| C77 | C76 | H116 | 108.5° | 109.5° |
| C76 | C77 | H117 | 108.5° | 109.5° |
| C76 | C77 | H118 | 108.5° | 109.5° |
| C77 | C78 | N21 | 111.7° | 109.5° |
| C78 | C77 | H117 | 108.5° | 109.5° |
| C78 | C77 | H118 | 108.5° | 109.5° |
| C77 | C78 | H119 | 108.9° | 109.5° |
| C77 | C78 | H120 | 108.9° | 109.5° |
| C78 | N21 | H103 | 106.3° | 120.0° |
| N21 | C78 | H119 | 108.9° | 109.4° |
| N21 | C78 | H120 | 108.9° | 109.4° |
| C78 | N21 | C68 | 147.5° | 120.0° |
| H103 | N21 | C68 | 106.2° | 120.0° |
| H104 | C71 | H105 | 109.5° | 109.5° |
| H104 | C71 | H106 | 109.5° | 109.5° |
| H105 | C71 | H106 | 109.5° | 109.5° |
| H107 | C72 | H108 | 109.5° | 109.5° |
| H109 | C73 | H110 | 109.5° | 109.5° |
| H111 | C74 | H112 | 109.5° | 109.5° |
| H113 | C75 | H114 | 109.4° | 109.5° |
| H115 | C76 | H116 | 109.5° | 109.5° |
| H117 | C77 | H118 | 109.5° | 109.4° |
| H119 | C78 | H120 | 109.5° | 109.5° |
| H121 | C79 | H122 | 109.5° | 109.5° |
| H123 | C80 | H124 | 109.5° | 109.5° |
| H125 | C81 | H126 | 109.5° | 109.4° |
| H127 | C82 | H128 | 109.5° | 109.4° |
| H129 | C83 | H130 | 109.5° | 109.5° |
| H131 | C84 | H132 | 109.5° | 109.5° |
| H133 | C85 | H134 | 109.5° | 109.4° |
| H135 | C86 | H136 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C4 | C3 | O3 | 179.9° | 180.0° |
| O2 | C4 | C3 | N1 | 114.3° | 0.0° |
| O2 | C4 | C3 | H4 | 125.5° | 120.0° |
| O2 | C4 | C3 | H5 | 6.0° | 119.9° |
| O2 | C4 | O3 | H6 | 0.0° | 0.0° |
| C4 | C3 | N1 | H4 | 120.2° | 120.0° |
| C4 | C3 | N1 | H5 | 120.2° | 119.9° |
| C4 | C3 | N1 | C1 | 55.8° | 180.0° |
| C4 | C3 | N1 | H1 | 64.6° | 56.0° |
| C4 | C3 | H4 | H5 | 119.3° | 120.0° |
| C3 | C4 | O3 | H6 | 179.9° | 180.0° |
| O3 | C4 | C3 | N1 | 65.7° | 180.0° |
| O3 | C4 | C3 | H4 | 54.5° | 60.0° |
| O3 | C4 | C3 | H5 | 174.1° | 60.0° |
| C3 | N1 | C1 | H1 | 120.4° | 124.0° |
| C3 | N1 | C1 | C2 | 173.7° | 180.0° |
| C3 | N1 | C1 | H2 | 65.7° | 60.0° |
| C3 | N1 | C1 | H3 | 53.2° | 60.0° |
| N1 | C3 | H4 | H5 | 119.3° | 120.0° |
| N1 | C1 | C2 | H2 | 120.5° | 120.0° |
| N1 | C1 | C2 | H3 | 120.6° | 119.9° |
| N1 | C1 | C2 | O1 | 128.8° | 0.0° |
| N1 | C1 | H2 | H3 | 118.3° | 120.0° |
| C1 | N1 | C3 | H4 | 176.0° | 60.0° |
| C1 | N1 | C3 | H5 | 64.4° | 60.0° |
| N1 | C1 | C2 | N2 | 50.5° | 179.9° |
| C1 | C2 | O1 | N2 | 179.3° | 179.9° |
| C2 | C1 | N1 | H1 | 53.4° | 56.0° |
| C2 | C1 | H2 | H3 | 118.3° | 120.0° |
| C1 | C2 | N2 | C5 | 175.0° | 180.0° |
| C1 | C2 | N2 | H7 | 5.0° | 0.1° |
| O1 | C2 | C1 | H2 | 8.3° | 120.0° |
| O1 | C2 | C1 | H3 | 110.6° | 119.9° |
| O1 | C2 | N2 | C5 | 5.7° | 0.1° |
| O1 | C2 | N2 | H7 | 174.3° | 180.0° |
| H1 | N1 | C1 | H2 | 173.9° | 176.1° |
| H1 | N1 | C1 | H3 | 67.2° | 63.9° |
| H1 | N1 | C3 | H4 | 55.6° | 64.0° |
| H1 | N1 | C3 | H5 | 175.2° | 176.0° |
| H2 | C1 | C2 | N2 | 171.1° | 60.0° |
| H3 | C1 | C2 | N2 | 70.0° | 60.0° |
| C5 | N2 | H7 | C2 | 180.0° | 179.9° |
| N2 | C5 | C6 | C7 | 123.7° | 120.0° |
| N2 | C5 | C6 | H8 | 120.1° | 120.1° |
| N2 | C5 | C7 | H8 | 118.8° | 120.0° |
| N2 | C5 | C6 | O4 | 74.1° | 9.1° |
| N2 | C5 | C7 | O5 | 52.0° | 56.3° |
| N2 | C5 | C7 | C8 | 68.4° | 63.7° |
| N2 | C5 | C7 | H9 | 172.2° | 176.3° |
| N2 | C5 | C6 | N3 | 105.7° | 170.9° |
| H7 | N2 | C5 | C6 | 129.9° | 25.0° |
| H7 | N2 | C5 | C7 | 7.8° | 95.0° |
| H7 | N2 | C5 | H8 | 110.5° | 145.1° |
| C6 | C5 | C7 | H8 | 116.3° | 120.0° |
| C5 | C6 | O4 | N3 | 179.7° | 180.0° |
| C6 | C5 | C7 | O5 | 72.9° | 63.7° |
| C6 | C5 | C7 | C8 | 166.7° | 176.3° |
| C6 | C5 | C7 | H9 | 47.4° | 56.3° |
| C5 | C6 | N3 | C9 | 176.3° | 176.0° |
| C5 | C6 | N3 | H14 | 3.6° | 4.0° |
| C6 | C5 | N2 | C2 | 50.1° | 155.0° |
| C7 | C5 | C6 | O4 | 49.6° | 110.9° |
| C5 | C7 | O5 | C8 | 121.1° | 120.0° |
| C5 | C7 | O5 | H9 | 119.4° | 120.0° |
| C5 | C7 | C8 | H9 | 119.2° | 120.0° |
| C5 | C7 | O5 | H10 | 44.6° | 60.0° |
| C5 | C7 | C8 | H11 | 180.0° | 58.1° |
| C5 | C7 | C8 | H12 | 60.0° | 178.1° |
| C5 | C7 | C8 | H13 | 60.0° | 61.9° |
| C7 | C5 | N2 | C2 | 172.3° | 85.0° |
| C7 | C5 | C6 | N3 | 130.7° | 69.2° |
| H8 | C5 | C6 | O4 | 165.8° | 129.2° |
| H8 | C5 | C7 | O5 | 170.8° | 176.4° |
| H8 | C5 | C7 | C8 | 50.4° | 56.4° |
| H8 | C5 | C7 | H9 | 68.9° | 63.7° |
| H8 | C5 | N2 | C2 | 69.5° | 35.0° |
| H8 | C5 | C6 | N3 | 14.4° | 50.8° |
| O4 | C6 | N3 | C9 | 3.9° | 4.0° |
| O4 | C6 | N3 | H14 | 176.1° | 176.0° |
| O5 | C7 | C8 | H9 | 120.3° | 119.9° |
| O5 | C7 | C8 | H11 | 59.5° | 61.9° |
| O5 | C7 | C8 | H12 | 179.4° | 58.1° |
| O5 | C7 | C8 | H13 | 60.6° | 178.1° |
| C8 | C7 | O5 | H10 | 165.7° | 180.0° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| H9 | C7 | O5 | H10 | 74.8° | 60.0° |
| H9 | C7 | C8 | H11 | 60.8° | 178.2° |
| H9 | C7 | C8 | H12 | 59.2° | 61.8° |
| H9 | C7 | C8 | H13 | 179.2° | 58.1° |
| H11 | C8 | H12 | H13 | 120.0° | 120.1° |
| C9 | N3 | H14 | C6 | 180.0° | 180.0° |
| N3 | C9 | C10 | C11 | 122.3° | 120.0° |
| N3 | C9 | C10 | H15 | 119.1° | 120.0° |
| N3 | C9 | C11 | H15 | 119.6° | 120.0° |
| N3 | C9 | C10 | O6 | 112.8° | 0.1° |
| N3 | C9 | C11 | C12 | 33.4° | 65.0° |
| N3 | C9 | C11 | H16 | 87.2° | 55.0° |
| N3 | C9 | C11 | H17 | 154.1° | 175.0° |
| N3 | C9 | C10 | N6 | 67.2° | 180.0° |
| H14 | N3 | C9 | C10 | 115.5° | 25.0° |
| H14 | N3 | C9 | C11 | 6.8° | 95.0° |
| H14 | N3 | C9 | H15 | 125.9° | 145.0° |
| C10 | C9 | C11 | H15 | 118.7° | 120.0° |
| C9 | C10 | O6 | N6 | 179.9° | 180.0° |
| C10 | C9 | C11 | C12 | 155.1° | 175.0° |
| C10 | C9 | C11 | H16 | 34.5° | 65.0° |
| C10 | C9 | C11 | H17 | 84.2° | 55.0° |
| C9 | C10 | N6 | C16 | 170.0° | 180.0° |
| C9 | C10 | N6 | H22 | 10.0° | 0.0° |
| C10 | C9 | N3 | C6 | 64.5° | 155.0° |
| C11 | C9 | C10 | O6 | 124.9° | 120.0° |
| C9 | C11 | C12 | H16 | 120.6° | 120.0° |
| C9 | C11 | C12 | H17 | 120.6° | 120.0° |
| C9 | C11 | H16 | H17 | 118.1° | 120.0° |
| C9 | C11 | C12 | N4 | 90.9° | 95.0° |
| C9 | C11 | C12 | C13 | 89.3° | 85.4° |
| C11 | C9 | N3 | C6 | 173.2° | 85.0° |
| C11 | C9 | C10 | N6 | 55.0° | 60.0° |
| H15 | C9 | C10 | O6 | 6.3° | 120.0° |
| H15 | C9 | C11 | C12 | 86.2° | 55.0° |
| H15 | C9 | C11 | H16 | 153.2° | 175.0° |
| H15 | C9 | C11 | H17 | 34.4° | 65.0° |
| H15 | C9 | N3 | C6 | 54.1° | 34.9° |
| H15 | C9 | C10 | N6 | 173.7° | 60.0° |
| O6 | C10 | N6 | C16 | 10.0° | 0.0° |
| O6 | C10 | N6 | H22 | 169.9° | 179.9° |
| C12 | C11 | H16 | H17 | 118.1° | 120.0° |
| C11 | C12 | N4 | C13 | 179.9° | 179.7° |
| C11 | C12 | N4 | C14 | 180.0° | 179.9° |
| C11 | C12 | N4 | H18 | 0.1° | 0.1° |
| C11 | C12 | C13 | N5 | 179.9° | 180.0° |
| C11 | C12 | C13 | H19 | 0.1° | 0.1° |
| H16 | C11 | C12 | N4 | 29.8° | 25.0° |
| H16 | C11 | C12 | C13 | 150.0° | 154.6° |
| H17 | C11 | C12 | N4 | 148.5° | 145.0° |
| H17 | C11 | C12 | C13 | 31.3° | 34.6° |
| C12 | N4 | C14 | H18 | 180.0° | 180.0° |
| N4 | C12 | C13 | N5 | 0.1° | 0.3° |
| N4 | C12 | C13 | H19 | 179.9° | 179.8° |
| C12 | N4 | C14 | N5 | 0.1° | 0.1° |
| C12 | N4 | C14 | H20 | 179.9° | 180.0° |
| C13 | C12 | N4 | C14 | 0.1° | 0.3° |
| C13 | C12 | N4 | H18 | 179.9° | 179.8° |
| C12 | C13 | N5 | H19 | 180.0° | 180.0° |
| C12 | C13 | N5 | C14 | 0.1° | 0.2° |
| C12 | C13 | N5 | H21 | 179.9° | 180.0° |
| N4 | C14 | N5 | C13 | 0.0° | 0.0° |
| N4 | C14 | N5 | H20 | 180.0° | 179.9° |
| N4 | C14 | N5 | H21 | 180.0° | 179.8° |
| H18 | N4 | C14 | N5 | 179.9° | 179.9° |
| H18 | N4 | C14 | H20 | 0.1° | 0.0° |
| C13 | N5 | C14 | H21 | 180.0° | 179.8° |
| C13 | N5 | C14 | H20 | 180.0° | 179.8° |
| H19 | C13 | N5 | C14 | 179.9° | 179.8° |
| H19 | C13 | N5 | H21 | 0.1° | 0.1° |
| H20 | C14 | N5 | H21 | 0.0° | 0.1° |
| C16 | C15 | O7 | N7 | 179.7° | 180.0° |
| C15 | C16 | N6 | C17 | 124.3° | 120.0° |
| C15 | C16 | N6 | H23 | 116.5° | 120.0° |
| C15 | C16 | N6 | H22 | 113.3° | 25.0° |
| C15 | C16 | C17 | H23 | 118.0° | 120.1° |
| C15 | C16 | C17 | C25 | 90.9° | 174.2° |
| C15 | C16 | C17 | C18 | 42.1° | 54.2° |
| C15 | C16 | C17 | H24 | 155.1° | 65.8° |
| C16 | C15 | N7 | C35 | 13.6° | 4.1° |
| C16 | C15 | N7 | C32 | 173.4° | 175.8° |
| C15 | C16 | N6 | C10 | 66.8° | 155.0° |
| O7 | C15 | C16 | N6 | 57.1° | 49.1° |
| O7 | C15 | C16 | C17 | 68.1° | 70.8° |
| O7 | C15 | C16 | H23 | 173.9° | 169.1° |
| O7 | C15 | N7 | C35 | 166.2° | 175.8° |
| O7 | C15 | N7 | C32 | 6.3° | 4.2° |
| C16 | N6 | H22 | C10 | 180.0° | 179.9° |
| N6 | C16 | C17 | H23 | 119.5° | 119.9° |
| N6 | C16 | C17 | C25 | 31.5° | 65.8° |
| N6 | C16 | C17 | C18 | 164.6° | 174.2° |
| N6 | C16 | C17 | H24 | 82.4° | 54.2° |
| N6 | C16 | C15 | N7 | 122.7° | 130.9° |
| H22 | N6 | C16 | C17 | 11.0° | 95.0° |
| H22 | N6 | C16 | H23 | 130.3° | 145.0° |
| C16 | C17 | C25 | C18 | 134.1° | 120.0° |
| C16 | C17 | C25 | H24 | 113.9° | 120.0° |
| C16 | C17 | C18 | H24 | 113.0° | 120.0° |
| C16 | C17 | C18 | C26 | 48.0° | 55.2° |
| C16 | C17 | C18 | C27 | 131.4° | 125.0° |
| C16 | C17 | C25 | C23 | 40.0° | 120.9° |
| C16 | C17 | C25 | C24 | 141.1° | 59.1° |
| C17 | C16 | N6 | C10 | 168.9° | 85.0° |
| C17 | C16 | C15 | N7 | 112.2° | 109.1° |
| H23 | C16 | C17 | C25 | 151.1° | 54.1° |
| H23 | C16 | C17 | C18 | 75.9° | 65.9° |
| H23 | C16 | C17 | H24 | 37.1° | 174.1° |
| H23 | C16 | N6 | C10 | 49.7° | 35.0° |
| H23 | C16 | C15 | N7 | 5.8° | 11.0° |
| C25 | C17 | C18 | H24 | 111.9° | 120.0° |
| C25 | C17 | C18 | C26 | 177.0° | 64.7° |
| C25 | C17 | C18 | C27 | 3.7° | 115.0° |
| C17 | C25 | C23 | C21 | 179.8° | 180.0° |
| C17 | C25 | C24 | C22 | 179.8° | 180.0° |
| C17 | C25 | C23 | C24 | 178.9° | 180.0° |
| C17 | C25 | C23 | H29 | 0.2° | 0.0° |
| C17 | C25 | C24 | H30 | 0.3° | 0.0° |
| C17 | C18 | C26 | C27 | 179.3° | 179.7° |
| C18 | C17 | C25 | C23 | 94.1° | 119.1° |
| C18 | C17 | C25 | C24 | 84.8° | 60.9° |
| C17 | C18 | C26 | C28 | 179.7° | 179.9° |
| C17 | C18 | C26 | H31 | 0.3° | 0.0° |
| C17 | C18 | C27 | C29 | 179.8° | 180.0° |
| C17 | C18 | C27 | H32 | 0.2° | 0.0° |
| H24 | C17 | C18 | C26 | 65.0° | 175.3° |
| H24 | C17 | C18 | C27 | 115.6° | 5.0° |
| H24 | C17 | C25 | C23 | 153.9° | 0.9° |
| H24 | C17 | C25 | C24 | 27.2° | 179.1° |
| C18 | C26 | C28 | C19 | 0.0° | 0.1° |
| C18 | C26 | C28 | H31 | 180.0° | 179.9° |
| C26 | C18 | C27 | C29 | 0.4° | 0.3° |
| C26 | C18 | C27 | H32 | 179.5° | 179.7° |
| C18 | C26 | C28 | H33 | 180.0° | 179.7° |
| C18 | C27 | C29 | C19 | 0.3° | 0.1° |
| C27 | C18 | C26 | C28 | 0.3° | 0.3° |
| C27 | C18 | C26 | H31 | 179.7° | 179.8° |
| C18 | C27 | C29 | H32 | 180.0° | 180.0° |
| C18 | C27 | C29 | H34 | 179.7° | 179.7° |
| C28 | C19 | C29 | H25 | 180.0° | 179.7° |
| C19 | C28 | C26 | H33 | 180.0° | 179.7° |
| C19 | C28 | C26 | H31 | 180.0° | 180.0° |
| C28 | C19 | C29 | C27 | 0.0° | 0.3° |
| C28 | C19 | C29 | H34 | 180.0° | 180.0° |
| C29 | C19 | C28 | C26 | 0.2° | 0.3° |
| C19 | C29 | C27 | H34 | 180.0° | 179.6° |
| C19 | C29 | C27 | H32 | 179.7° | 180.0° |
| C29 | C19 | C28 | H33 | 179.8° | 180.0° |
| H25 | C19 | C28 | C26 | 179.8° | 179.9° |
| H25 | C19 | C29 | C27 | 179.9° | 180.0° |
| H25 | C19 | C28 | H33 | 0.2° | 0.3° |
| H25 | C19 | C29 | H34 | 0.1° | 0.4° |
| C21 | C20 | C22 | H26 | 180.0° | 179.7° |
| C20 | C21 | C23 | H27 | 180.0° | 179.9° |
| C21 | C20 | C22 | C24 | 0.1° | 0.0° |
| C21 | C20 | C22 | H28 | 179.9° | 180.0° |
| C20 | C21 | C23 | C25 | 0.5° | 0.0° |
| C20 | C21 | C23 | H29 | 179.5° | 180.0° |
| C22 | C20 | C21 | C23 | 0.1° | 0.0° |
| C22 | C20 | C21 | H27 | 179.9° | 180.0° |
| C20 | C22 | C24 | H28 | 180.0° | 180.0° |
| C20 | C22 | C24 | C25 | 0.4° | 0.0° |
| C20 | C22 | C24 | H30 | 179.6° | 180.0° |
| H26 | C20 | C21 | C23 | 179.8° | 179.7° |
| H26 | C20 | C21 | H27 | 0.2° | 0.4° |
| H26 | C20 | C22 | C24 | 179.9° | 179.7° |
| H26 | C20 | C22 | H28 | 0.1° | 0.3° |
| C21 | C23 | C25 | H29 | 180.0° | 180.0° |
| C21 | C23 | C25 | C24 | 0.8° | 0.0° |
| H27 | C21 | C23 | C25 | 179.5° | 180.0° |
| H27 | C21 | C23 | H29 | 0.5° | 0.0° |
| C22 | C24 | C25 | C23 | 0.8° | 0.0° |
| C22 | C24 | C25 | H30 | 180.0° | 180.0° |
| H28 | C22 | C24 | C25 | 179.6° | 180.0° |
| H28 | C22 | C24 | H30 | 0.4° | 0.0° |
| C23 | C25 | C24 | H30 | 179.2° | 180.0° |
| H29 | C23 | C25 | C24 | 179.2° | 180.0° |
| H31 | C26 | C28 | H33 | 0.0° | 0.2° |
| H32 | C27 | C29 | H34 | 0.3° | 0.3° |
| C35 | N7 | C32 | C15 | 165.6° | 180.0° |
| N7 | C35 | C34 | H42 | 119.0° | 118.9° |
| N7 | C35 | C34 | H43 | 119.0° | 119.0° |
| C35 | N7 | C32 | C33 | 50.9° | 1.1° |
| C35 | N7 | C32 | C31 | 70.4° | 118.4° |
| N7 | C35 | C34 | C33 | 22.8° | 37.0° |
| C35 | N7 | C32 | H37 | 166.6° | 120.5° |
| N7 | C35 | C34 | H40 | 96.4° | 155.1° |
| N7 | C35 | C34 | H41 | 142.0° | 81.1° |
| N7 | C35 | H42 | H43 | 122.9° | 122.4° |
| C32 | N7 | C35 | C34 | 46.4° | 24.1° |
| N7 | C32 | C33 | C31 | 120.3° | 119.5° |
| N7 | C32 | C33 | H37 | 116.3° | 119.5° |
| N7 | C32 | C31 | H37 | 123.4° | 121.2° |
| N7 | C32 | C33 | C34 | 35.5° | 22.1° |
| N7 | C32 | C31 | C30 | 178.9° | 83.2° |
| N7 | C32 | C31 | H35 | 60.9° | 36.8° |
| N7 | C32 | C31 | H36 | 58.7° | 156.8° |
| N7 | C32 | C33 | H38 | 154.7° | 96.2° |
| N7 | C32 | C33 | H39 | 83.6° | 140.7° |
| C32 | N7 | C35 | H42 | 165.4° | 94.7° |
| C32 | N7 | C35 | H43 | 72.6° | 143.0° |
| C35 | C34 | C33 | C32 | 8.0° | 35.5° |
| C35 | C34 | C33 | H40 | 119.1° | 118.1° |
| C35 | C34 | C33 | H41 | 119.2° | 118.1° |
| C35 | C34 | C33 | H38 | 127.1° | 82.9° |
| C35 | C34 | C33 | H39 | 111.2° | 154.0° |
| C35 | C34 | H40 | H41 | 122.5° | 124.0° |
| C34 | C35 | H42 | H43 | 123.0° | 122.2° |
| C34 | C35 | N7 | C15 | 116.0° | 155.8° |
| C33 | C32 | C31 | H37 | 123.4° | 121.0° |
| C32 | C33 | C34 | H38 | 119.2° | 118.4° |
| C32 | C33 | C34 | H39 | 119.1° | 118.5° |
| C33 | C32 | C31 | C30 | 67.9° | 159.0° |
| C33 | C32 | C31 | H35 | 52.3° | 81.0° |
| C33 | C32 | C31 | H36 | 171.9° | 39.0° |
| C32 | C33 | H38 | H39 | 122.5° | 123.1° |
| C32 | C33 | C34 | H40 | 127.1° | 153.6° |
| C32 | C33 | C34 | H41 | 111.2° | 82.7° |
| C33 | C32 | N7 | C15 | 114.7° | 178.9° |
| C31 | C32 | C33 | C34 | 84.8° | 141.6° |
| C32 | C31 | C30 | H35 | 120.2° | 120.0° |
| C32 | C31 | C30 | H36 | 120.2° | 120.0° |
| C32 | C31 | C30 | O8 | 111.2° | 14.4° |
| C32 | C31 | H35 | H36 | 119.5° | 120.0° |
| C31 | C32 | C33 | H38 | 34.4° | 23.2° |
| C31 | C32 | C33 | H39 | 156.1° | 99.8° |
| C31 | C32 | N7 | C15 | 124.0° | 61.7° |
| C32 | C31 | C30 | N8 | 103.8° | 165.7° |
| C34 | C33 | C32 | H37 | 151.8° | 97.4° |
| C34 | C33 | H38 | H39 | 122.5° | 123.3° |
| C33 | C34 | H40 | H41 | 122.5° | 123.8° |
| C33 | C34 | C35 | H42 | 141.8° | 81.9° |
| C33 | C34 | C35 | H43 | 96.1° | 156.0° |
| C31 | C30 | O8 | N8 | 140.4° | 180.0° |
| C30 | C31 | H35 | H36 | 119.4° | 120.0° |
| C30 | C31 | C32 | H37 | 55.5° | 38.1° |
| C31 | C30 | N8 | C36 | 155.5° | 180.0° |
| C31 | C30 | N8 | H44 | 24.5° | 0.0° |
| O8 | C30 | C31 | H35 | 128.6° | 134.3° |
| O8 | C30 | C31 | H36 | 8.9° | 105.6° |
| O8 | C30 | N8 | C36 | 13.1° | 0.0° |
| O8 | C30 | N8 | H44 | 166.9° | 180.0° |
| H35 | C31 | C32 | H37 | 175.7° | 158.0° |
| H35 | C31 | C30 | N8 | 16.4° | 45.7° |
| H36 | C31 | C32 | H37 | 64.7° | 82.0° |
| H36 | C31 | C30 | N8 | 136.1° | 74.3° |
| H37 | C32 | C33 | H38 | 89.0° | 144.3° |
| H37 | C32 | C33 | H39 | 32.7° | 21.2° |
| H37 | C32 | N7 | C15 | 1.0° | 59.5° |
| H38 | C33 | C34 | H40 | 113.8° | 35.2° |
| H38 | C33 | C34 | H41 | 7.9° | 159.0° |
| H39 | C33 | C34 | H40 | 8.0° | 87.9° |
| H39 | C33 | C34 | H41 | 129.7° | 35.8° |
| H40 | C34 | C35 | H42 | 22.6° | 36.2° |
| H40 | C34 | C35 | H43 | 144.7° | 85.9° |
| H41 | C34 | C35 | H42 | 99.1° | 160.1° |
| H41 | C34 | C35 | H43 | 23.0° | 37.9° |
| H42 | C35 | N7 | C15 | 3.0° | 85.4° |
| H43 | C35 | N7 | C15 | 125.1° | 36.9° |
| C36 | N8 | H44 | C30 | 180.0° | 180.0° |
| N8 | C36 | C37 | C38 | 122.3° | 120.0° |
| N8 | C36 | C37 | H45 | 119.4° | 120.0° |
| N8 | C36 | C38 | H45 | 117.8° | 120.0° |
| N8 | C36 | C37 | O9 | 1.1° | 0.0° |
| N8 | C36 | C38 | C39 | 97.8° | 65.0° |
| N8 | C36 | C38 | H46 | 22.7° | 55.0° |
| N8 | C36 | C38 | H47 | 141.8° | 175.0° |
| N8 | C36 | C37 | N12 | 178.7° | 180.0° |
| H44 | N8 | C36 | C37 | 99.4° | 25.0° |
| H44 | N8 | C36 | C38 | 24.5° | 95.0° |
| H44 | N8 | C36 | H45 | 141.7° | 145.0° |
| C37 | C36 | C38 | H45 | 118.2° | 120.0° |
| C36 | C37 | O9 | N12 | 179.9° | 179.9° |
| C37 | C36 | C38 | C39 | 138.2° | 175.0° |
| C37 | C36 | C38 | H46 | 101.3° | 65.0° |
| C37 | C36 | C38 | H47 | 17.8° | 55.0° |
| C36 | C37 | N12 | C42 | 170.2° | 180.0° |
| C36 | C37 | N12 | H57 | 9.9° | 0.1° |
| C37 | C36 | N8 | C30 | 80.6° | 155.0° |
| C38 | C36 | C37 | O9 | 123.5° | 120.0° |
| C36 | C38 | C39 | H46 | 120.4° | 120.0° |
| C36 | C38 | C39 | H47 | 120.5° | 120.0° |
| C36 | C38 | H46 | H47 | 118.6° | 120.0° |
| C36 | C38 | C39 | C40 | 99.3° | NaN° |
| C36 | C38 | C39 | H48 | 21.2° | 60.0° |
| C36 | C38 | C39 | H49 | 140.3° | 60.0° |
| C38 | C36 | N8 | C30 | 155.5° | 85.0° |
| C38 | C36 | C37 | N12 | 56.4° | 60.1° |
| H45 | C36 | C37 | O9 | 118.3° | 120.0° |
| H45 | C36 | C38 | C39 | 20.0° | 54.9° |
| H45 | C36 | C38 | H46 | 140.4° | 175.0° |
| H45 | C36 | C38 | H47 | 100.5° | 65.0° |
| H45 | C36 | N8 | C30 | 38.3° | 35.0° |
| H45 | C36 | C37 | N12 | 61.8° | 60.0° |
| O9 | C37 | N12 | C42 | 10.0° | 0.1° |
| O9 | C37 | N12 | H57 | 170.0° | 180.0° |
| C39 | C38 | H46 | H47 | 118.6° | 120.0° |
| C38 | C39 | C40 | H48 | 120.4° | 120.1° |
| C38 | C39 | C40 | H49 | 120.4° | 120.0° |
| C38 | C39 | H48 | H49 | 118.7° | 120.0° |
| C38 | C39 | C40 | N9 | 68.6° | 180.0° |
| C38 | C39 | C40 | H50 | 51.5° | 60.0° |
| C38 | C39 | C40 | H51 | 171.2° | 60.0° |
| H46 | C38 | C39 | C40 | 140.3° | 60.0° |
| H46 | C38 | C39 | H48 | 99.3° | 180.0° |
| H46 | C38 | C39 | H49 | 19.8° | 60.0° |
| H47 | C38 | C39 | C40 | 21.2° | 60.0° |
| H47 | C38 | C39 | H48 | 141.6° | 60.0° |
| H47 | C38 | C39 | H49 | 99.3° | 180.0° |
| C40 | C39 | H48 | H49 | 118.7° | 120.0° |
| C39 | C40 | N9 | H50 | 120.1° | 120.0° |
| C39 | C40 | N9 | H51 | 120.1° | 120.0° |
| C39 | C40 | H50 | H51 | 119.6° | 120.0° |
| C39 | C40 | N9 | C41 | 107.4° | 180.0° |
| C39 | C40 | N9 | H52 | 72.6° | 0.1° |
| H48 | C39 | C40 | N9 | 170.9° | 60.0° |
| H48 | C39 | C40 | H50 | 68.9° | 179.9° |
| H48 | C39 | C40 | H51 | 50.8° | 60.0° |
| H49 | C39 | C40 | N9 | 51.8° | 60.0° |
| H49 | C39 | C40 | H50 | 171.9° | 60.0° |
| H49 | C39 | C40 | H51 | 68.3° | 180.0° |
| N9 | C40 | H50 | H51 | 119.6° | 120.0° |
| C40 | N9 | C41 | H52 | 180.0° | 179.9° |
| C40 | N9 | C41 | N10 | 0.5° | 0.0° |
| C40 | N9 | C41 | N11 | 179.1° | 180.0° |
| H50 | C40 | N9 | C41 | 12.8° | 60.0° |
| H50 | C40 | N9 | H52 | 167.3° | 119.9° |
| H51 | C40 | N9 | C41 | 132.5° | 60.0° |
| H51 | C40 | N9 | H52 | 47.5° | 120.1° |
| N9 | C41 | N10 | N11 | 179.5° | 180.0° |
| N9 | C41 | N10 | H53 | 179.5° | 0.0° |
| N9 | C41 | N10 | H54 | 0.5° | 180.0° |
| N9 | C41 | N11 | H55 | 179.5° | 180.0° |
| N9 | C41 | N11 | H56 | 0.5° | 0.0° |
| H52 | N9 | C41 | N10 | 179.6° | 179.9° |
| H52 | N9 | C41 | N11 | 0.9° | 0.1° |
| C41 | N10 | H53 | H54 | 180.0° | 179.9° |
| N10 | C41 | N11 | H55 | 0.0° | 0.0° |
| N10 | C41 | N11 | H56 | 180.0° | 180.0° |
| N11 | C41 | N10 | H53 | 0.0° | 180.0° |
| N11 | C41 | N10 | H54 | 180.0° | 0.0° |
| C41 | N11 | H55 | H56 | 180.0° | 180.0° |
| C42 | N12 | H57 | C37 | 180.0° | 179.9° |
| N12 | C42 | C43 | C44 | 122.6° | 120.0° |
| N12 | C42 | C43 | H58 | 119.8° | 120.1° |
| N12 | C42 | C44 | H58 | 118.5° | 120.0° |
| N12 | C42 | C43 | O10 | 84.0° | 0.1° |
| N12 | C42 | C44 | S1 | 45.3° | 60.0° |
| N12 | C42 | C44 | H59 | 165.9° | 60.0° |
| N12 | C42 | C44 | H60 | 75.3° | 180.0° |
| N12 | C42 | C43 | N13 | 96.8° | 180.0° |
| H57 | N12 | C42 | C43 | 24.3° | 24.9° |
| H57 | N12 | C42 | C44 | 98.4° | 95.1° |
| H57 | N12 | C42 | H58 | 143.6° | 145.0° |
| C43 | C42 | C44 | H58 | 117.6° | 120.0° |
| C42 | C43 | O10 | N13 | 179.1° | 180.0° |
| C43 | C42 | C44 | S1 | 78.6° | 180.0° |
| C43 | C42 | C44 | H59 | 42.0° | 60.0° |
| C43 | C42 | C44 | H60 | 160.8° | 60.0° |
| C42 | C43 | N13 | C45 | 177.9° | 180.0° |
| C42 | C43 | N13 | H62 | 2.1° | 0.0° |
| C43 | C42 | N12 | C37 | 155.7° | 155.0° |
| C44 | C42 | C43 | O10 | 153.3° | 120.0° |
| C42 | C44 | S1 | H59 | 120.6° | 120.0° |
| C42 | C44 | S1 | H60 | 120.6° | 120.0° |
| C42 | C44 | H59 | H60 | 118.1° | 120.0° |
| C42 | C44 | S1 | H61 | 180.0° | 180.0° |
| C44 | C42 | N12 | C37 | 81.6° | 85.1° |
| C44 | C42 | C43 | N13 | 25.8° | 60.0° |
| H58 | C42 | C43 | O10 | 35.7° | 120.0° |
| H58 | C42 | C44 | S1 | 163.8° | 60.0° |
| H58 | C42 | C44 | H59 | 75.6° | 180.0° |
| H58 | C42 | C44 | H60 | 43.2° | 60.1° |
| H58 | C42 | N12 | C37 | 36.4° | 34.9° |
| H58 | C42 | C43 | N13 | 143.4° | 60.0° |
| O10 | C43 | N13 | C45 | 3.0° | 0.0° |
| O10 | C43 | N13 | H62 | 177.0° | 179.9° |
| S1 | C44 | H59 | H60 | 118.1° | 120.0° |
| H59 | C44 | S1 | H61 | 59.4° | 60.0° |
| H60 | C44 | S1 | H61 | 59.4° | 59.9° |
| C45 | N13 | H62 | C43 | 180.0° | 179.9° |
| N13 | C45 | C46 | C47 | 122.7° | 120.0° |
| N13 | C45 | C46 | H63 | 118.9° | 120.1° |
| N13 | C45 | C47 | H63 | 119.6° | 120.0° |
| N13 | C45 | C46 | O11 | 70.9° | 0.0° |
| N13 | C45 | C47 | C48 | 79.7° | 65.0° |
| N13 | C45 | C47 | H64 | 41.0° | 55.0° |
| N13 | C45 | C47 | H65 | 159.6° | 175.0° |
| N13 | C45 | C46 | N17 | 108.9° | 180.0° |
| H62 | N13 | C45 | C46 | 120.9° | 25.0° |
| H62 | N13 | C45 | C47 | 1.6° | 95.0° |
| H62 | N13 | C45 | H63 | 120.7° | 145.1° |
| C46 | C45 | C47 | H63 | 118.4° | 120.0° |
| C45 | C46 | O11 | N17 | 179.8° | 180.0° |
| C46 | C45 | C47 | C48 | 158.3° | 175.0° |
| C46 | C45 | C47 | H64 | 81.0° | 65.0° |
| C46 | C45 | C47 | H65 | 37.6° | 55.0° |
| C45 | C46 | N17 | C51 | 165.9° | 180.0° |
| C45 | C46 | N17 | H75 | 14.1° | 0.0° |
| C46 | C45 | N13 | C43 | 59.1° | 155.0° |
| C47 | C45 | C46 | O11 | 51.8° | 120.0° |
| C45 | C47 | C48 | H64 | 120.7° | 120.0° |
| C45 | C47 | C48 | H65 | 120.7° | 120.0° |
| C45 | C47 | H64 | H65 | 117.9° | 120.0° |
| C45 | C47 | C48 | C49 | 162.8° | 180.0° |
| C45 | C47 | C48 | H66 | 76.9° | 60.0° |
| C45 | C47 | C48 | H67 | 42.5° | 60.0° |
| C47 | C45 | N13 | C43 | 178.4° | 85.0° |
| C47 | C45 | C46 | N17 | 128.4° | 60.0° |
| H63 | C45 | C46 | O11 | 170.2° | 120.0° |
| H63 | C45 | C47 | C48 | 39.9° | 55.0° |
| H63 | C45 | C47 | H64 | 160.6° | 175.0° |
| H63 | C45 | C47 | H65 | 80.8° | 65.0° |
| H63 | C45 | N13 | C43 | 59.3° | 35.0° |
| H63 | C45 | C46 | N17 | 10.0° | 59.9° |
| O11 | C46 | N17 | C51 | 13.9° | 0.0° |
| O11 | C46 | N17 | H75 | 166.1° | 180.0° |
| C48 | C47 | H64 | H65 | 118.0° | 120.0° |
| C47 | C48 | C49 | H66 | 120.3° | 120.0° |
| C47 | C48 | C49 | H67 | 120.2° | 120.0° |
| C47 | C48 | H66 | H67 | 119.1° | 120.0° |
| C47 | C48 | C49 | N14 | 137.6° | 180.0° |
| C47 | C48 | C49 | H68 | 17.2° | 60.0° |
| C47 | C48 | C49 | H69 | 102.0° | 60.0° |
| H64 | C47 | C48 | C49 | 42.1° | 60.0° |
| H64 | C47 | C48 | H66 | 162.4° | NaN° |
| H64 | C47 | C48 | H67 | 78.2° | 60.0° |
| H65 | C47 | C48 | C49 | 76.5° | 60.0° |
| H65 | C47 | C48 | H66 | 43.7° | 60.0° |
| H65 | C47 | C48 | H67 | 163.2° | 180.0° |
| C49 | C48 | H66 | H67 | 119.2° | 119.9° |
| C48 | C49 | N14 | H68 | 120.4° | 120.0° |
| C48 | C49 | N14 | H69 | 120.4° | 120.0° |
| C48 | C49 | H68 | H69 | 118.7° | 120.0° |
| C48 | C49 | N14 | C50 | 69.7° | 180.0° |
| C48 | C49 | N14 | H70 | 110.3° | 0.0° |
| H66 | C48 | C49 | N14 | 102.1° | 60.0° |
| H66 | C48 | C49 | H68 | 137.5° | 180.0° |
| H66 | C48 | C49 | H69 | 18.3° | 60.1° |
| H67 | C48 | C49 | N14 | 17.3° | 60.0° |
| H67 | C48 | C49 | H68 | 103.1° | 60.0° |
| H67 | C48 | C49 | H69 | 137.8° | 180.0° |
| N14 | C49 | H68 | H69 | 118.7° | 120.0° |
| C49 | N14 | C50 | H70 | 180.0° | 180.0° |
| C49 | N14 | C50 | N15 | 0.6° | 0.0° |
| C49 | N14 | C50 | N16 | 179.7° | 180.0° |
| H68 | C49 | N14 | C50 | 50.7° | 60.0° |
| H68 | C49 | N14 | H70 | 129.3° | 120.0° |
| H69 | C49 | N14 | C50 | 169.8° | 60.0° |
| H69 | C49 | N14 | H70 | 10.2° | 120.0° |
| N14 | C50 | N15 | N16 | 179.7° | 180.0° |
| N14 | C50 | N15 | H71 | 179.8° | 0.0° |
| N14 | C50 | N15 | H72 | 0.3° | 180.0° |
| N14 | C50 | N16 | H73 | 179.8° | 180.0° |
| N14 | C50 | N16 | H74 | 0.3° | 0.0° |
| H70 | N14 | C50 | N15 | 179.4° | 180.0° |
| H70 | N14 | C50 | N16 | 0.3° | 0.0° |
| C50 | N15 | H71 | H72 | 180.0° | 179.9° |
| N15 | C50 | N16 | H73 | 0.0° | 0.0° |
| N15 | C50 | N16 | H74 | 180.0° | 180.0° |
| N16 | C50 | N15 | H71 | 0.0° | 180.0° |
| N16 | C50 | N15 | H72 | 180.0° | 0.0° |
| C50 | N16 | H73 | H74 | 180.0° | 180.0° |
| C51 | N17 | H75 | C46 | 180.0° | 180.0° |
| N17 | C51 | C52 | C59 | 127.2° | 120.0° |
| N17 | C51 | C52 | H76 | 116.4° | 120.0° |
| N17 | C51 | C59 | H76 | 120.8° | 120.0° |
| N17 | C51 | C52 | C53 | 54.5° | 65.0° |
| N17 | C51 | C52 | H77 | 65.9° | 55.0° |
| N17 | C51 | C52 | H78 | 174.8° | 175.1° |
| N17 | C51 | C59 | C60 | 178.6° | 65.0° |
| N17 | C51 | C59 | H84 | 57.8° | 175.0° |
| N17 | C51 | C59 | H85 | 60.6° | 55.0° |
| H75 | N17 | C51 | C52 | 23.7° | 95.0° |
| H75 | N17 | C51 | C59 | 99.6° | 25.0° |
| H75 | N17 | C51 | H76 | 139.8° | 145.0° |
| C52 | C51 | C59 | H76 | 116.4° | 120.0° |
| C51 | C52 | C53 | H77 | 120.4° | 120.0° |
| C51 | C52 | C53 | H78 | 120.4° | 120.0° |
| C51 | C52 | H77 | H78 | 118.9° | 120.0° |
| C51 | C52 | C53 | C54 | 103.9° | 90.0° |
| C51 | C52 | C53 | C58 | 75.5° | 90.2° |
| C52 | C51 | C59 | C60 | 55.8° | 175.1° |
| C52 | C51 | C59 | H84 | 65.0° | 55.0° |
| C52 | C51 | C59 | H85 | 176.6° | 65.0° |
| C52 | C51 | N17 | C46 | 156.3° | 85.0° |
| C59 | C51 | C52 | C53 | 178.4° | 175.0° |
| C59 | C51 | C52 | H77 | 61.3° | 65.0° |
| C59 | C51 | C52 | H78 | 58.0° | 55.1° |
| C51 | C59 | C60 | H84 | 120.8° | 120.0° |
| C51 | C59 | C60 | H85 | 120.8° | 120.0° |
| C51 | C59 | H84 | H85 | 117.4° | 120.0° |
| C51 | C59 | C60 | O12 | 110.0° | 0.1° |
| C59 | C51 | N17 | C46 | 80.4° | 155.0° |
| C51 | C59 | C60 | N18 | 102.5° | 180.0° |
| H76 | C51 | C52 | C53 | 62.0° | 55.0° |
| H76 | C51 | C52 | H77 | 177.7° | 175.0° |
| H76 | C51 | C52 | H78 | 58.4° | 65.0° |
| H76 | C51 | C59 | C60 | 60.6° | 55.0° |
| H76 | C51 | C59 | H84 | 178.6° | 65.0° |
| H76 | C51 | C59 | H85 | 60.2° | 175.0° |
| H76 | C51 | N17 | C46 | 40.2° | 35.0° |
| C53 | C52 | H77 | H78 | 118.9° | 120.0° |
| C52 | C53 | C54 | C58 | 179.4° | 179.8° |
| C52 | C53 | C54 | C55 | 179.8° | 180.0° |
| C52 | C53 | C54 | H79 | 0.2° | 0.0° |
| C52 | C53 | C58 | C57 | 179.6° | 179.8° |
| C52 | C53 | C58 | H83 | 0.3° | 0.1° |
| H77 | C52 | C53 | C54 | 16.5° | 30.0° |
| H77 | C52 | C53 | C58 | 164.1° | 149.8° |
| H78 | C52 | C53 | C54 | 135.8° | 150.0° |
| H78 | C52 | C53 | C58 | 44.9° | 29.8° |
| C53 | C54 | C55 | H79 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 0.3° | 0.1° |
| C53 | C54 | C55 | H80 | 179.7° | 180.0° |
| C54 | C53 | C58 | C57 | 0.3° | 0.4° |
| C54 | C53 | C58 | H83 | 179.7° | 179.7° |
| C58 | C53 | C54 | C55 | 0.5° | 0.3° |
| C58 | C53 | C54 | H79 | 179.5° | 179.8° |
| C53 | C58 | C57 | C56 | 0.1° | 0.4° |
| C53 | C58 | C57 | H83 | 180.0° | 179.9° |
| C53 | C58 | C57 | H82 | 179.9° | 179.8° |
| C54 | C55 | C56 | H80 | 180.0° | 180.0° |
| C54 | C55 | C56 | C57 | 0.0° | 0.0° |
| C54 | C55 | C56 | H81 | 180.0° | 180.0° |
| H79 | C54 | C55 | C56 | 179.7° | 180.0° |
| H79 | C54 | C55 | H80 | 0.3° | 0.0° |
| C55 | C56 | C57 | H81 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.2° | 0.2° |
| C55 | C56 | C57 | H82 | 179.8° | 180.0° |
| H80 | C55 | C56 | C57 | 180.0° | 180.0° |
| H80 | C55 | C56 | H81 | 0.0° | 0.0° |
| C56 | C57 | C58 | H82 | 180.0° | 179.9° |
| C56 | C57 | C58 | H83 | 180.0° | 179.7° |
| H81 | C56 | C57 | C58 | 179.8° | 179.9° |
| H81 | C56 | C57 | H82 | 0.2° | 0.0° |
| H82 | C57 | C58 | H83 | 0.0° | 0.1° |
| C60 | C59 | H84 | H85 | 117.4° | 120.0° |
| C59 | C60 | O12 | N18 | 144.0° | 179.9° |
| C59 | C60 | N18 | C66 | 153.0° | 180.0° |
| C59 | C60 | N18 | H96 | 27.0° | 0.0° |
| H84 | C59 | C60 | O12 | 129.2° | 119.9° |
| H84 | C59 | C60 | N18 | 18.3° | 59.9° |
| H85 | C59 | C60 | O12 | 10.8° | 120.1° |
| H85 | C59 | C60 | N18 | 136.7° | 60.0° |
| O12 | C60 | N18 | C66 | 7.4° | 0.1° |
| O12 | C60 | N18 | H96 | 172.6° | 179.9° |
| O13 | C61 | C62 | N19 | 168.9° | 179.9° |
| O13 | C61 | C62 | C63 | 60.9° | 0.1° |
| O13 | C61 | C62 | H86 | 59.9° | 120.0° |
| O13 | C61 | C62 | H87 | 178.3° | 120.0° |
| O13 | C61 | N19 | C67 | 1.0° | 0.1° |
| O13 | C61 | N19 | C69 | 130.0° | 180.0° |
| C61 | C62 | C63 | H86 | 120.8° | 120.0° |
| C61 | C62 | C63 | H87 | 120.8° | 120.0° |
| C61 | C62 | H86 | H87 | 117.5° | 120.0° |
| C61 | C62 | C63 | C64 | 162.7° | 180.0° |
| C61 | C62 | C63 | H88 | 42.1° | 60.0° |
| C61 | C62 | C63 | H89 | 76.7° | 60.0° |
| C62 | C61 | N19 | C67 | 169.4° | 180.0° |
| C62 | C61 | N19 | C69 | 38.4° | 0.1° |
| C63 | C62 | H86 | H87 | 117.5° | 120.0° |
| C62 | C63 | C64 | H88 | 120.6° | 120.0° |
| C62 | C63 | C64 | H89 | 120.6° | 120.0° |
| C62 | C63 | H88 | H89 | 118.2° | 120.0° |
| C62 | C63 | C64 | C65 | 70.7° | NaN° |
| C62 | C63 | C64 | H90 | 50.3° | 60.0° |
| C62 | C63 | C64 | H91 | 168.3° | 60.0° |
| C63 | C62 | C61 | N19 | 108.0° | 180.0° |
| H86 | C62 | C63 | C64 | 76.5° | 60.0° |
| H86 | C62 | C63 | H88 | 162.9° | 180.0° |
| H86 | C62 | C63 | H89 | 44.1° | 60.0° |
| H86 | C62 | C61 | N19 | 131.1° | 60.0° |
| H87 | C62 | C63 | C64 | 41.9° | 60.0° |
| H87 | C62 | C63 | H88 | 78.7° | 60.0° |
| H87 | C62 | C63 | H89 | 162.5° | 180.0° |
| H87 | C62 | C61 | N19 | 12.8° | 60.0° |
| C64 | C63 | H88 | H89 | 118.2° | 120.0° |
| C63 | C64 | C65 | H90 | 121.0° | 120.0° |
| C63 | C64 | C65 | H91 | 121.0° | 120.0° |
| C63 | C64 | H90 | H91 | 116.7° | 120.0° |
| C63 | C64 | C65 | C66 | 90.0° | NaN° |
| C63 | C64 | C65 | H92 | 149.2° | 60.0° |
| C63 | C64 | C65 | H93 | 30.7° | 60.0° |
| H88 | C63 | C64 | C65 | 168.7° | 60.0° |
| H88 | C63 | C64 | H90 | 70.3° | 180.0° |
| H88 | C63 | C64 | H91 | 47.7° | 60.0° |
| H89 | C63 | C64 | C65 | 49.9° | 60.0° |
| H89 | C63 | C64 | H90 | 170.9° | 59.9° |
| H89 | C63 | C64 | H91 | 71.2° | 180.0° |
| C65 | C64 | H90 | H91 | 116.8° | 120.0° |
| C64 | C65 | C66 | H92 | 120.8° | 120.0° |
| C64 | C65 | C66 | H93 | 120.8° | 120.0° |
| C64 | C65 | H92 | H93 | 117.5° | 120.0° |
| C64 | C65 | C66 | N18 | 175.6° | 180.0° |
| C64 | C65 | C66 | H94 | 64.2° | 60.0° |
| C64 | C65 | C66 | H95 | 55.4° | 60.0° |
| H90 | C64 | C65 | C66 | 31.0° | 60.0° |
| H90 | C64 | C65 | H92 | 89.8° | 179.9° |
| H90 | C64 | C65 | H93 | 151.8° | 60.0° |
| H91 | C64 | C65 | C66 | 149.0° | 60.0° |
| H91 | C64 | C65 | H92 | 28.2° | 60.0° |
| H91 | C64 | C65 | H93 | 90.3° | NaN° |
| C66 | C65 | H92 | H93 | 117.6° | 120.0° |
| C65 | C66 | N18 | H94 | 120.2° | 120.0° |
| C65 | C66 | N18 | H95 | 120.2° | 120.0° |
| C65 | C66 | H94 | H95 | 119.4° | 120.1° |
| C65 | C66 | N18 | H96 | 106.2° | 0.0° |
| C65 | C66 | N18 | C60 | 73.8° | 180.0° |
| H92 | C65 | C66 | N18 | 54.8° | 60.0° |
| H92 | C65 | C66 | H94 | 175.0° | 179.9° |
| H92 | C65 | C66 | H95 | 65.4° | 60.0° |
| H93 | C65 | C66 | N18 | 63.6° | 60.0° |
| H93 | C65 | C66 | H94 | 56.6° | 60.0° |
| H93 | C65 | C66 | H95 | 176.2° | 180.0° |
| N18 | C66 | H94 | H95 | 119.4° | 120.0° |
| C66 | N18 | H96 | C60 | 180.0° | 180.0° |
| H94 | C66 | N18 | H96 | 133.6° | 119.9° |
| H94 | C66 | N18 | C60 | 46.4° | 60.0° |
| H95 | C66 | N18 | H96 | 14.0° | 120.1° |
| H95 | C66 | N18 | C60 | 166.0° | 60.0° |
| C67 | C68 | O14 | N21 | 170.2° | 180.0° |
| C68 | C67 | N19 | H97 | 124.2° | 120.0° |
| C68 | C67 | N19 | H98 | 124.2° | 120.1° |
| C68 | C67 | N19 | C69 | 149.1° | 89.9° |
| C68 | C67 | H97 | H98 | 103.3° | 120.0° |
| C67 | C68 | N21 | C78 | 34.6° | 180.0° |
| C67 | C68 | N21 | H103 | 145.4° | 0.0° |
| C68 | C67 | N19 | C61 | 70.9° | 90.0° |
| O14 | C68 | C67 | N19 | 61.1° | 0.0° |
| O14 | C68 | C67 | H97 | 63.1° | 120.0° |
| O14 | C68 | C67 | H98 | 174.7° | 120.0° |
| O14 | C68 | N21 | C78 | 158.0° | 0.0° |
| O14 | C68 | N21 | H103 | 22.0° | 180.0° |
| C67 | N19 | C69 | C61 | 139.2° | 179.9° |
| C67 | N19 | C69 | C70 | 61.2° | 90.0° |
| N19 | C67 | H97 | H98 | 103.3° | 120.0° |
| C67 | N19 | C69 | H99 | 178.7° | 29.9° |
| C67 | N19 | C69 | H100 | 59.0° | 150.0° |
| N19 | C67 | C68 | N21 | 132.5° | 180.0° |
| O15 | C70 | C69 | N19 | 57.6° | 0.0° |
| O15 | C70 | C69 | N20 | 179.7° | 180.0° |
| O15 | C70 | C69 | H99 | 62.6° | 120.0° |
| O15 | C70 | C69 | H100 | 177.8° | 119.9° |
| O15 | C70 | N20 | H101 | 0.0° | 180.0° |
| O15 | C70 | N20 | H102 | 180.0° | 0.0° |
| N19 | C69 | C70 | H99 | 120.2° | 120.0° |
| N19 | C69 | C70 | H100 | 120.2° | 120.0° |
| N19 | C69 | C70 | N20 | 122.7° | 180.0° |
| C69 | N19 | C67 | H97 | 24.9° | 30.1° |
| C69 | N19 | C67 | H98 | 86.7° | 150.0° |
| N19 | C69 | H99 | H100 | 119.4° | 120.0° |
| C70 | C69 | H99 | H100 | 119.4° | 120.0° |
| C69 | C70 | N20 | H101 | 179.6° | 0.0° |
| C69 | C70 | N20 | H102 | 0.3° | 179.9° |
| C70 | C69 | N19 | C61 | 78.0° | 90.1° |
| N20 | C70 | C69 | H99 | 117.1° | 60.0° |
| N20 | C70 | C69 | H100 | 2.6° | 60.0° |
| C70 | N20 | H101 | H102 | 180.0° | 179.9° |
| H97 | C67 | N19 | C61 | 164.9° | 150.0° |
| H97 | C67 | C68 | N21 | 103.3° | 60.0° |
| H98 | C67 | N19 | C61 | 53.2° | 30.1° |
| H98 | C67 | C68 | N21 | 8.4° | 59.9° |
| H99 | C69 | N19 | C61 | 42.1° | 150.0° |
| H100 | C69 | N19 | C61 | 161.8° | 30.0° |
| C71 | C79 | C80 | H121 | 120.6° | 120.0° |
| C71 | C79 | C80 | H122 | 120.6° | 120.0° |
| C71 | C79 | C80 | C81 | 178.1° | 180.0° |
| C79 | C71 | H104 | H105 | 120.0° | 120.0° |
| C79 | C71 | H104 | H106 | 120.0° | 120.0° |
| C79 | C71 | H105 | H106 | 120.0° | 120.0° |
| C71 | C79 | H121 | H122 | 117.9° | 120.1° |
| C71 | C79 | C80 | H123 | 61.2° | 60.0° |
| C71 | C79 | C80 | H124 | 57.4° | 60.0° |
| C79 | C80 | C81 | H123 | 120.7° | 120.0° |
| C79 | C80 | C81 | H124 | 120.7° | 120.0° |
| C79 | C80 | C81 | C82 | 177.3° | 180.0° |
| C80 | C79 | C71 | H104 | 180.0° | 180.0° |
| C80 | C79 | C71 | H105 | 60.0° | 60.0° |
| C80 | C79 | C71 | H106 | 60.0° | 60.0° |
| C80 | C79 | H121 | H122 | 118.0° | 120.0° |
| C79 | C80 | H123 | H124 | 117.8° | 120.0° |
| C79 | C80 | C81 | H125 | 56.6° | 60.0° |
| C79 | C80 | C81 | H126 | 62.0° | 60.0° |
| C80 | C81 | C82 | H125 | 120.7° | 120.0° |
| C80 | C81 | C82 | H126 | 120.7° | 120.0° |
| C80 | C81 | C82 | C83 | 64.7° | 180.0° |
| C81 | C80 | C79 | H121 | 57.5° | 60.0° |
| C81 | C80 | C79 | H122 | 61.3° | 60.0° |
| C81 | C80 | H123 | H124 | 117.8° | 120.0° |
| C80 | C81 | H125 | H126 | 117.8° | 120.0° |
| C80 | C81 | C82 | H127 | 56.1° | 60.0° |
| C80 | C81 | C82 | H128 | 174.6° | 60.0° |
| C81 | C82 | C83 | H127 | 120.7° | 120.0° |
| C81 | C82 | C83 | H128 | 120.7° | 120.0° |
| C81 | C82 | C83 | C84 | 176.6° | 180.0° |
| C82 | C81 | C80 | H123 | 62.0° | 60.0° |
| C82 | C81 | C80 | H124 | 56.6° | 60.0° |
| C82 | C81 | H125 | H126 | 117.8° | 120.0° |
| C81 | C82 | H127 | H128 | 117.7° | 120.0° |
| C81 | C82 | C83 | H129 | 62.7° | 60.0° |
| C81 | C82 | C83 | H130 | 55.9° | 60.0° |
| C82 | C83 | C84 | H129 | 120.7° | 120.0° |
| C82 | C83 | C84 | H130 | 120.7° | 120.0° |
| C82 | C83 | C84 | C85 | 177.2° | 180.0° |
| C83 | C82 | C81 | H125 | 174.6° | 60.0° |
| C83 | C82 | C81 | H126 | 56.0° | 60.0° |
| C83 | C82 | H127 | H128 | 117.7° | 120.0° |
| C82 | C83 | H129 | H130 | 117.9° | 120.0° |
| C82 | C83 | C84 | H131 | 62.1° | 60.0° |
| C82 | C83 | C84 | H132 | 56.4° | 60.0° |
| C83 | C84 | C85 | H131 | 120.7° | 120.0° |
| C83 | C84 | C85 | H132 | 120.7° | 120.0° |
| C83 | C84 | C85 | C86 | 176.4° | 180.0° |
| C84 | C83 | C82 | H127 | 55.8° | 60.0° |
| C84 | C83 | C82 | H128 | 62.7° | 60.0° |
| C84 | C83 | H129 | H130 | 117.9° | 119.9° |
| C83 | C84 | H131 | H132 | 117.7° | 119.9° |
| C83 | C84 | C85 | H133 | 62.9° | 60.0° |
| C83 | C84 | C85 | H134 | 55.7° | 60.0° |
| C84 | C85 | C86 | H133 | 120.7° | 120.0° |
| C84 | C85 | C86 | H134 | 120.7° | 120.0° |
| C84 | C85 | C86 | C72 | 178.5° | 180.0° |
| C85 | C84 | C83 | H129 | 56.5° | 60.0° |
| C85 | C84 | C83 | H130 | 62.2° | 60.0° |
| C85 | C84 | H131 | H132 | 117.8° | 120.1° |
| C84 | C85 | H133 | H134 | 117.8° | 119.9° |
| C84 | C85 | C86 | H135 | 60.8° | 60.0° |
| C84 | C85 | C86 | H136 | 57.9° | 60.0° |
| C85 | C86 | C72 | H135 | 120.7° | 120.0° |
| C85 | C86 | C72 | H136 | 120.7° | 120.0° |
| C85 | C86 | C72 | C73 | 175.2° | 179.9° |
| C85 | C86 | C72 | H107 | 64.0° | 60.0° |
| C85 | C86 | C72 | H108 | 54.5° | 60.0° |
| C86 | C85 | C84 | H131 | 55.7° | 60.1° |
| C86 | C85 | C84 | H132 | 62.9° | 60.0° |
| C86 | C85 | H133 | H134 | 117.8° | 120.0° |
| C85 | C86 | H135 | H136 | 117.9° | 120.0° |
| C86 | C72 | C73 | H107 | 120.8° | 120.0° |
| C86 | C72 | C73 | H108 | 120.8° | 120.0° |
| C86 | C72 | C73 | C74 | 60.3° | 180.0° |
| C86 | C72 | H107 | H108 | 117.6° | 120.0° |
| C86 | C72 | C73 | H109 | 60.4° | 60.0° |
| C86 | C72 | C73 | H110 | 179.0° | 60.0° |
| C72 | C86 | C85 | H133 | 57.8° | 60.0° |
| C72 | C86 | C85 | H134 | 60.8° | 60.0° |
| C72 | C86 | H135 | H136 | 117.9° | 120.0° |
| C72 | C73 | C74 | H109 | 120.7° | 120.1° |
| C72 | C73 | C74 | H110 | 120.7° | 119.9° |
| C72 | C73 | C74 | C75 | 170.0° | 180.0° |
| C73 | C72 | H107 | H108 | 117.6° | 120.0° |
| C72 | C73 | H109 | H110 | 117.8° | 119.9° |
| C72 | C73 | C74 | H111 | 49.3° | 60.0° |
| C72 | C73 | C74 | H112 | 69.2° | 60.1° |
| C73 | C72 | C86 | H135 | 54.6° | 60.0° |
| C73 | C72 | C86 | H136 | 64.1° | 60.0° |
| C73 | C74 | C75 | H111 | 120.7° | 120.0° |
| C73 | C74 | C75 | H112 | 120.7° | 120.0° |
| C73 | C74 | C75 | C76 | 59.2° | 180.0° |
| C74 | C73 | C72 | H107 | 178.9° | 60.0° |
| C74 | C73 | C72 | H108 | 60.4° | 60.0° |
| C74 | C73 | H109 | H110 | 117.8° | 120.0° |
| C73 | C74 | H111 | H112 | 117.7° | 120.1° |
| C73 | C74 | C75 | H113 | 61.6° | 60.0° |
| C73 | C74 | C75 | H114 | 180.0° | 60.0° |
| C74 | C75 | C76 | H113 | 120.8° | 120.0° |
| C74 | C75 | C76 | H114 | 120.8° | 120.0° |
| C74 | C75 | C76 | C77 | 179.5° | 180.0° |
| C75 | C74 | C73 | H109 | 69.3° | 60.0° |
| C75 | C74 | C73 | H110 | 49.3° | 60.0° |
| C75 | C74 | H111 | H112 | 117.8° | 120.0° |
| C74 | C75 | H113 | H114 | 117.7° | 120.0° |
| C74 | C75 | C76 | H115 | 59.9° | 60.0° |
| C74 | C75 | C76 | H116 | 58.9° | 60.0° |
| C75 | C76 | C77 | H115 | 120.6° | 119.9° |
| C75 | C76 | C77 | H116 | 120.6° | 120.0° |
| C75 | C76 | C77 | C78 | 179.9° | 180.0° |
| C76 | C75 | C74 | H111 | 179.9° | 60.0° |
| C76 | C75 | C74 | H112 | 61.5° | 60.0° |
| C76 | C75 | H113 | H114 | 117.7° | 120.0° |
| C75 | C76 | H115 | H116 | 118.2° | 120.0° |
| C75 | C76 | C77 | H117 | 59.3° | 60.0° |
| C75 | C76 | C77 | H118 | 59.5° | 60.0° |
| C76 | C77 | C78 | H117 | 120.6° | 120.0° |
| C76 | C77 | C78 | H118 | 120.6° | 120.0° |
| C76 | C77 | C78 | N21 | 179.7° | 180.0° |
| C77 | C76 | C75 | H113 | 58.7° | 60.0° |
| C77 | C76 | C75 | H114 | 59.8° | 60.0° |
| C77 | C76 | H115 | H116 | 118.2° | 120.1° |
| C76 | C77 | H117 | H118 | 118.3° | 120.0° |
| C76 | C77 | C78 | H119 | 59.9° | 60.0° |
| C76 | C77 | C78 | H120 | 59.4° | 60.0° |
| C77 | C78 | N21 | H119 | 120.4° | 120.0° |
| C77 | C78 | N21 | H120 | 120.3° | 120.0° |
| C77 | C78 | N21 | H103 | 89.6° | 0.0° |
| C78 | C77 | C76 | H115 | 59.5° | 60.1° |
| C78 | C77 | C76 | H116 | 59.3° | 60.0° |
| C78 | C77 | H117 | H118 | 118.3° | 120.0° |
| C77 | C78 | H119 | H120 | 119.0° | 120.0° |
| C77 | C78 | N21 | C68 | 90.4° | 180.0° |
| C78 | N21 | H103 | C68 | 180.0° | 180.0° |
| N21 | C78 | C77 | H117 | 59.1° | 60.0° |
| N21 | C78 | C77 | H118 | 59.7° | 60.0° |
| N21 | C78 | H119 | H120 | 118.9° | 120.0° |
| H103 | N21 | C78 | H119 | 30.8° | 120.0° |
| H103 | N21 | C78 | H120 | 150.1° | 120.0° |
| H104 | C71 | H105 | H106 | 120.0° | 120.0° |
| H104 | C71 | C79 | H121 | 59.3° | 60.0° |
| H104 | C71 | C79 | H122 | 59.3° | 60.1° |
| H105 | C71 | C79 | H121 | 60.7° | 60.0° |
| H105 | C71 | C79 | H122 | 179.3° | 179.9° |
| H106 | C71 | C79 | H121 | 179.4° | 180.0° |
| H106 | C71 | C79 | H122 | 60.7° | 60.0° |
| H107 | C72 | C73 | H109 | 60.4° | 60.0° |
| H107 | C72 | C73 | H110 | 58.2° | 180.0° |
| H107 | C72 | C86 | H135 | 175.3° | 179.9° |
| H107 | C72 | C86 | H136 | 56.7° | 60.0° |
| H108 | C72 | C73 | H109 | 178.9° | 180.0° |
| H108 | C72 | C73 | H110 | 60.3° | 60.0° |
| H108 | C72 | C86 | H135 | 66.2° | 60.0° |
| H108 | C72 | C86 | H136 | 175.1° | 180.0° |
| H109 | C73 | C74 | H111 | 170.0° | 179.9° |
| H109 | C73 | C74 | H112 | 51.4° | 60.0° |
| H110 | C73 | C74 | H111 | 71.4° | 59.9° |
| H110 | C73 | C74 | H112 | 170.1° | NaN° |
| H111 | C74 | C75 | H113 | 59.1° | 180.0° |
| H111 | C74 | C75 | H114 | 59.3° | 59.9° |
| H112 | C74 | C75 | H113 | 177.7° | 60.0° |
| H112 | C74 | C75 | H114 | 59.3° | 180.0° |
| H113 | C75 | C76 | H115 | 179.3° | 180.0° |
| H113 | C75 | C76 | H116 | 61.9° | 60.0° |
| H114 | C75 | C76 | H115 | 60.8° | 60.0° |
| H114 | C75 | C76 | H116 | 179.7° | 179.9° |
| H115 | C76 | C77 | H117 | 179.9° | 179.9° |
| H115 | C76 | C77 | H118 | 61.1° | 60.0° |
| H116 | C76 | C77 | H117 | 61.3° | 60.0° |
| H116 | C76 | C77 | H118 | 179.9° | 180.0° |
| H117 | C77 | C78 | H119 | 179.5° | 60.0° |
| H117 | C77 | C78 | H120 | 61.2° | 180.0° |
| H118 | C77 | C78 | H119 | 60.7° | 179.9° |
| H118 | C77 | C78 | H120 | 180.0° | 60.0° |
| H119 | C78 | N21 | C68 | 149.3° | 60.0° |
| H120 | C78 | N21 | C68 | 29.9° | 60.0° |
| H121 | C79 | C80 | H123 | 178.2° | 180.0° |
| H121 | C79 | C80 | H124 | 63.2° | 59.9° |
| H122 | C79 | C80 | H123 | 59.4° | 60.0° |
| H122 | C79 | C80 | H124 | 178.0° | 180.0° |
| H123 | C80 | C81 | H125 | 177.3° | 180.0° |
| H123 | C80 | C81 | H126 | 58.7° | 60.0° |
| H124 | C80 | C81 | H125 | 64.1° | 60.0° |
| H124 | C80 | C81 | H126 | 177.3° | 179.9° |
| H125 | C81 | C82 | H127 | 64.6° | 180.0° |
| H125 | C81 | C82 | H128 | 53.9° | 60.0° |
| H126 | C81 | C82 | H127 | 176.8° | 60.0° |
| H126 | C81 | C82 | H128 | 64.7° | 180.0° |
| H127 | C82 | C83 | H129 | 176.5° | 180.0° |
| H127 | C82 | C83 | H130 | 64.8° | 60.0° |
| H128 | C82 | C83 | H129 | 58.0° | 60.0° |
| H128 | C82 | C83 | H130 | 176.6° | 179.9° |
| H129 | C83 | C84 | H131 | 177.2° | 180.0° |
| H129 | C83 | C84 | H132 | 64.3° | 60.0° |
| H130 | C83 | C84 | H131 | 58.6° | 60.0° |
| H130 | C83 | C84 | H132 | 177.1° | 180.0° |
| H131 | C84 | C85 | H133 | 176.4° | 179.9° |
| H131 | C84 | C85 | H134 | 65.1° | 60.0° |
| H132 | C84 | C85 | H133 | 57.8° | 60.0° |
| H132 | C84 | C85 | H134 | 176.4° | 179.9° |
| H133 | C85 | C86 | H135 | 178.5° | 60.0° |
| H133 | C85 | C86 | H136 | 62.9° | 180.0° |
| H134 | C85 | C86 | H135 | 59.9° | 180.0° |
| H134 | C85 | C86 | H136 | 178.6° | 60.0° |
