PRD_001131
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| H1 | N1 | sing | 0.97Å | 1.00Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| H3 | C3 | sing | 1.09Å | 1.10Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| H6 | C4 | sing | 1.09Å | 1.10Å | |
| H5 | C4 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| H8 | C5 | sing | 1.09Å | 1.10Å | |
| H9 | C5 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| H10 | C6 | sing | 1.08Å | 1.08Å | |
| N2 | C7 | sing | 1.47Å | 1.47Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N4 | C12 | sing | 1.47Å | 1.46Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C17 | sing | 1.51Å | 1.54Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.23Å | |
| N5 | C18 | sing | 1.46Å | 1.47Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| N6 | C21 | sing | 1.46Å | 1.47Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C25 | sing | 1.51Å | 1.54Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.23Å | |
| N7 | C26 | sing | 1.47Å | 1.47Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| N8 | C31 | sing | 1.46Å | 1.47Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | C35 | sing | 1.51Å | 1.54Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C34 | sing | 1.53Å | 1.54Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | O9 | doub | 1.21Å | 1.23Å | |
| N9 | C36 | sing | 1.47Å | 1.47Å | |
| N9 | H62 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.55Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | O10 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | doub | 1.34Å | 1.35Å | Aromatic |
| C39 | C41 | sing | 1.47Å | 1.46Å | Aromatic |
| C40 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C40 | H66 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.41Å | 1.43Å | Aromatic |
| C41 | C43 | sing | 1.40Å | 1.42Å | Aromatic |
| N10 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| N10 | H67 | sing | 0.97Å | 1.00Å | |
| C42 | C44 | sing | 1.39Å | 1.41Å | Aromatic |
| C43 | C45 | doub | 1.37Å | 1.41Å | Aromatic |
| C43 | H68 | sing | 1.08Å | 1.08Å | |
| C44 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C44 | H69 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.39Å | 1.41Å | Aromatic |
| C45 | H70 | sing | 1.08Å | 1.08Å | |
| C46 | H71 | sing | 1.08Å | 1.08Å | |
| N11 | C47 | sing | 1.46Å | 1.47Å | |
| N11 | H72 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.53Å | 1.55Å | |
| C47 | C52 | sing | 1.51Å | 1.54Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | C51 | sing | 1.53Å | 1.54Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| C50 | H77 | sing | 1.09Å | 1.10Å | |
| C50 | H78 | sing | 1.09Å | 1.10Å | |
| C50 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C51 | H82 | sing | 1.09Å | 1.10Å | |
| C52 | O11 | doub | 1.21Å | 1.23Å | |
| N12 | C53 | sing | 1.47Å | 1.47Å | |
| N12 | H83 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.54Å | |
| C53 | C55 | sing | 1.53Å | 1.54Å | |
| C53 | H84 | sing | 1.09Å | 1.10Å | |
| C54 | O12 | doub | 1.21Å | 1.23Å | |
| C55 | C56 | sing | 1.51Å | 1.51Å | |
| C55 | H85 | sing | 1.09Å | 1.10Å | |
| C55 | H86 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | doub | 1.34Å | 1.35Å | Aromatic |
| C56 | C58 | sing | 1.47Å | 1.46Å | Aromatic |
| C57 | N13 | sing | 1.37Å | 1.38Å | Aromatic |
| C57 | H87 | sing | 1.08Å | 1.08Å | |
| C58 | C59 | doub | 1.41Å | 1.43Å | Aromatic |
| C58 | C60 | sing | 1.40Å | 1.42Å | Aromatic |
| N13 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | H88 | sing | 0.97Å | 1.00Å | |
| C59 | C61 | sing | 1.39Å | 1.41Å | Aromatic |
| C60 | C62 | doub | 1.37Å | 1.41Å | Aromatic |
| C60 | H89 | sing | 1.08Å | 1.08Å | |
| C61 | C63 | doub | 1.38Å | 1.41Å | Aromatic |
| C61 | H90 | sing | 1.08Å | 1.08Å | |
| C62 | C63 | sing | 1.39Å | 1.41Å | Aromatic |
| C62 | H91 | sing | 1.08Å | 1.08Å | |
| C63 | H92 | sing | 1.08Å | 1.08Å | |
| N14 | C64 | sing | 1.46Å | 1.46Å | |
| N14 | H93 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.53Å | 1.54Å | |
| C64 | C69 | sing | 1.51Å | 1.54Å | |
| C64 | H94 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.55Å | |
| C65 | H95 | sing | 1.09Å | 1.10Å | |
| C65 | H96 | sing | 1.09Å | 1.10Å | |
| C66 | C67 | sing | 1.53Å | 1.54Å | |
| C66 | C68 | sing | 1.53Å | 1.54Å | |
| C66 | H97 | sing | 1.09Å | 1.10Å | |
| C67 | H98 | sing | 1.09Å | 1.10Å | |
| C67 | H99 | sing | 1.09Å | 1.10Å | |
| C67 | H100 | sing | 1.09Å | 1.10Å | |
| C68 | H101 | sing | 1.09Å | 1.10Å | |
| C68 | H102 | sing | 1.09Å | 1.10Å | |
| C68 | H103 | sing | 1.09Å | 1.10Å | |
| C69 | O13 | doub | 1.21Å | 1.23Å | |
| N15 | C70 | sing | 1.46Å | 1.47Å | |
| N15 | H104 | sing | 0.97Å | 1.00Å | |
| C70 | C71 | sing | 1.51Å | 1.54Å | |
| C70 | C72 | sing | 1.53Å | 1.54Å | |
| C70 | H105 | sing | 1.09Å | 1.10Å | |
| C71 | O14 | doub | 1.21Å | 1.23Å | |
| C72 | C73 | sing | 1.51Å | 1.50Å | |
| C72 | H106 | sing | 1.09Å | 1.10Å | |
| C72 | H107 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | doub | 1.34Å | 1.35Å | Aromatic |
| C73 | C75 | sing | 1.46Å | 1.46Å | Aromatic |
| C74 | N16 | sing | 1.37Å | 1.38Å | Aromatic |
| C74 | H108 | sing | 1.08Å | 1.08Å | |
| C75 | C76 | doub | 1.41Å | 1.43Å | Aromatic |
| C75 | C77 | sing | 1.40Å | 1.42Å | Aromatic |
| N16 | C76 | sing | 1.38Å | 1.38Å | Aromatic |
| N16 | H109 | sing | 0.97Å | 1.00Å | |
| C76 | C78 | sing | 1.39Å | 1.41Å | Aromatic |
| C77 | C79 | doub | 1.37Å | 1.41Å | Aromatic |
| C77 | H110 | sing | 1.08Å | 1.08Å | |
| C78 | C80 | doub | 1.38Å | 1.41Å | Aromatic |
| C78 | H111 | sing | 1.08Å | 1.08Å | |
| C79 | C80 | sing | 1.39Å | 1.41Å | Aromatic |
| C79 | H112 | sing | 1.08Å | 1.08Å | |
| C80 | H113 | sing | 1.08Å | 1.08Å | |
| N17 | C81 | sing | 1.46Å | 1.47Å | |
| N17 | H114 | sing | 0.97Å | 1.00Å | |
| C81 | C82 | sing | 1.53Å | 1.55Å | |
| C81 | C86 | sing | 1.51Å | 1.54Å | |
| C81 | H115 | sing | 1.09Å | 1.10Å | |
| C82 | C83 | sing | 1.53Å | 1.54Å | |
| C82 | H116 | sing | 1.09Å | 1.10Å | |
| C82 | H117 | sing | 1.09Å | 1.10Å | |
| C83 | C84 | sing | 1.53Å | 1.54Å | |
| C83 | C85 | sing | 1.53Å | 1.54Å | |
| C83 | H118 | sing | 1.09Å | 1.10Å | |
| C84 | H119 | sing | 1.09Å | 1.10Å | |
| C84 | H120 | sing | 1.09Å | 1.10Å | |
| C84 | H121 | sing | 1.09Å | 1.10Å | |
| C85 | H122 | sing | 1.09Å | 1.10Å | |
| C85 | H123 | sing | 1.09Å | 1.10Å | |
| C85 | H124 | sing | 1.09Å | 1.10Å | |
| C86 | O15 | doub | 1.21Å | 1.23Å | |
| N18 | C87 | sing | 1.46Å | 1.47Å | |
| N18 | H125 | sing | 0.97Å | 1.00Å | |
| C87 | C88 | sing | 1.51Å | 1.54Å | |
| C87 | H126 | sing | 1.09Å | 1.10Å | |
| C87 | H127 | sing | 1.09Å | 1.10Å | |
| C88 | O16 | doub | 1.21Å | 1.23Å | |
| C89 | N19 | sing | 1.47Å | 1.46Å | |
| C89 | C90 | sing | 1.53Å | 1.53Å | |
| C89 | H128 | sing | 1.09Å | 1.10Å | |
| C89 | H129 | sing | 1.09Å | 1.10Å | |
| N19 | H130 | sing | 0.97Å | 1.00Å | |
| C90 | O17 | sing | 1.43Å | 1.42Å | |
| C90 | H131 | sing | 1.09Å | 1.10Å | |
| C90 | H132 | sing | 1.09Å | 1.10Å | |
| O17 | H133 | sing | 0.97Å | 0.95Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| C8 | N3 | sing | 1.35Å | 1.34Å | |
| C10 | N4 | sing | 1.35Å | 1.34Å | |
| C17 | N5 | sing | 1.35Å | 1.34Å | |
| C19 | N6 | sing | 1.35Å | 1.34Å | |
| C25 | N7 | sing | 1.35Å | 1.34Å | |
| C27 | N8 | sing | 1.35Å | 1.34Å | |
| C35 | N9 | sing | 1.35Å | 1.34Å | |
| C37 | N11 | sing | 1.35Å | 1.34Å | |
| C52 | N12 | sing | 1.35Å | 1.34Å | |
| C54 | N14 | sing | 1.35Å | 1.34Å | |
| C69 | N15 | sing | 1.35Å | 1.34Å | |
| C71 | N17 | sing | 1.35Å | 1.34Å | |
| C86 | N18 | sing | 1.35Å | 1.34Å | |
| C88 | N19 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.9° | 120.0° |
| O1 | C1 | N2 | 122.2° | 120.0° |
| C1 | C2 | N1 | 112.0° | 109.5° |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | H2 | 106.8° | 109.5° |
| C2 | C1 | N2 | 117.8° | 120.0° |
| H1 | N1 | C6 | 117.8° | 120.0° |
| H1 | N1 | C2 | 117.8° | 120.0° |
| C6 | N1 | C2 | 124.4° | 120.0° |
| N1 | C6 | O2 | 122.1° | 120.0° |
| N1 | C6 | H10 | 118.9° | 120.0° |
| N1 | C2 | C3 | 112.0° | 109.5° |
| N1 | C2 | H2 | 107.6° | 109.4° |
| C3 | C2 | H2 | 106.7° | 109.5° |
| C2 | C3 | H3 | 106.8° | 109.5° |
| C2 | C3 | C5 | 113.8° | 109.5° |
| C2 | C3 | C4 | 113.2° | 109.5° |
| H3 | C3 | C5 | 107.0° | 109.5° |
| H3 | C3 | C4 | 107.0° | 109.4° |
| C5 | C3 | C4 | 108.7° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.4° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.4° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C4 | H5 | 109.5° | 109.5° |
| H6 | C4 | H4 | 109.5° | 109.4° |
| H5 | C4 | H4 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H8 | C5 | H7 | 109.5° | 109.4° |
| H9 | C5 | H7 | 109.5° | 109.5° |
| O2 | C6 | H10 | 118.9° | 120.0° |
| C7 | N2 | H11 | 117.4° | 119.9° |
| N2 | C7 | C8 | 113.6° | 109.5° |
| N2 | C7 | H12 | 108.4° | 109.4° |
| N2 | C7 | H13 | 108.4° | 109.5° |
| C7 | N2 | C1 | 125.2° | 120.0° |
| H11 | N2 | C1 | 117.4° | 120.0° |
| C8 | C7 | H12 | 108.5° | 109.5° |
| C8 | C7 | H13 | 108.5° | 109.5° |
| C7 | C8 | O3 | 120.1° | 120.0° |
| C7 | C8 | N3 | 117.8° | 120.0° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| O3 | C8 | N3 | 122.1° | 120.0° |
| C9 | N3 | H14 | 117.9° | 120.0° |
| N3 | C9 | C10 | 112.4° | 109.5° |
| N3 | C9 | C11 | 110.2° | 109.5° |
| N3 | C9 | H15 | 108.0° | 109.4° |
| C9 | N3 | C8 | 124.3° | 120.0° |
| H14 | N3 | C8 | 117.8° | 120.1° |
| C10 | C9 | C11 | 111.6° | 109.5° |
| C10 | C9 | H15 | 107.2° | 109.5° |
| C9 | C10 | O4 | 121.5° | 120.0° |
| C9 | C10 | N4 | 116.0° | 120.0° |
| C11 | C9 | H15 | 107.2° | 109.5° |
| C9 | C11 | H16 | 109.5° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.5° | 109.5° |
| O4 | C10 | N4 | 122.5° | 120.0° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.4° | 109.4° |
| C12 | N4 | H19 | 117.3° | 120.0° |
| N4 | C12 | C13 | 108.2° | 109.5° |
| N4 | C12 | C17 | 108.7° | 109.5° |
| N4 | C12 | H20 | 109.7° | 109.4° |
| C12 | N4 | C10 | 125.5° | 120.0° |
| H19 | N4 | C10 | 117.3° | 120.0° |
| C13 | C12 | C17 | 113.0° | 109.5° |
| C13 | C12 | H20 | 108.6° | 109.5° |
| C12 | C13 | C14 | 117.0° | 109.5° |
| C12 | C13 | H21 | 107.6° | 109.5° |
| C12 | C13 | H22 | 107.6° | 109.5° |
| C17 | C12 | H20 | 108.6° | 109.4° |
| C12 | C17 | O5 | 119.8° | 120.0° |
| C12 | C17 | N5 | 118.1° | 120.0° |
| C14 | C13 | H21 | 107.5° | 109.5° |
| C14 | C13 | H22 | 107.6° | 109.5° |
| C13 | C14 | C15 | 113.0° | 109.5° |
| C13 | C14 | C16 | 113.5° | 109.5° |
| C13 | C14 | H23 | 106.6° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| C15 | C14 | C16 | 109.8° | 109.5° |
| C15 | C14 | H23 | 106.7° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C16 | C14 | H23 | 106.7° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.4° |
| C14 | C16 | H28 | 109.4° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.4° |
| H24 | C15 | H25 | 109.4° | 109.4° |
| H24 | C15 | H26 | 109.4° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H29 | 109.4° | 109.4° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| O5 | C17 | N5 | 122.1° | 120.0° |
| C18 | N5 | H30 | 117.5° | 120.0° |
| N5 | C18 | C19 | 112.5° | 109.5° |
| N5 | C18 | C20 | 109.6° | 109.4° |
| N5 | C18 | H31 | 108.6° | 109.5° |
| C18 | N5 | C17 | 125.0° | 120.0° |
| H30 | N5 | C17 | 117.5° | 120.0° |
| C19 | C18 | C20 | 110.4° | 109.4° |
| C19 | C18 | H31 | 107.8° | 109.5° |
| C18 | C19 | O6 | 120.0° | 120.0° |
| C18 | C19 | N6 | 117.0° | 120.0° |
| C20 | C18 | H31 | 107.8° | 109.5° |
| C18 | C20 | H32 | 109.5° | 109.5° |
| C18 | C20 | H33 | 109.5° | 109.4° |
| C18 | C20 | H34 | 109.5° | 109.5° |
| O6 | C19 | N6 | 122.8° | 120.0° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.4° | 109.5° |
| C21 | N6 | H35 | 117.4° | 120.0° |
| N6 | C21 | C22 | 109.7° | 109.5° |
| N6 | C21 | C25 | 110.2° | 109.5° |
| N6 | C21 | H36 | 109.0° | 109.5° |
| C21 | N6 | C19 | 125.3° | 120.0° |
| H35 | N6 | C19 | 117.3° | 120.0° |
| C22 | C21 | C25 | 112.0° | 109.5° |
| C22 | C21 | H36 | 107.9° | 109.4° |
| C21 | C22 | C23 | 111.8° | 109.5° |
| C21 | C22 | C24 | 111.9° | 109.5° |
| C21 | C22 | H37 | 108.2° | 109.5° |
| C25 | C21 | H36 | 108.0° | 109.5° |
| C21 | C25 | O7 | 120.1° | 120.0° |
| C21 | C25 | N7 | 117.7° | 120.0° |
| C23 | C22 | C24 | 108.3° | 109.5° |
| C23 | C22 | H37 | 108.3° | 109.5° |
| C22 | C23 | H38 | 109.5° | 109.4° |
| C22 | C23 | H39 | 109.5° | 109.5° |
| C22 | C23 | H40 | 109.5° | 109.5° |
| C24 | C22 | H37 | 108.3° | 109.5° |
| C22 | C24 | H41 | 109.5° | 109.5° |
| C22 | C24 | H42 | 109.5° | 109.5° |
| C22 | C24 | H43 | 109.4° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.4° |
| H38 | C23 | H40 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H41 | C24 | H42 | 109.5° | 109.5° |
| H41 | C24 | H43 | 109.4° | 109.5° |
| H42 | C24 | H43 | 109.5° | 109.4° |
| O7 | C25 | N7 | 122.2° | 120.0° |
| C26 | N7 | H44 | 117.8° | 120.1° |
| N7 | C26 | C27 | 109.0° | 109.4° |
| N7 | C26 | C28 | 111.0° | 109.5° |
| N7 | C26 | H45 | 109.2° | 109.4° |
| C26 | N7 | C25 | 124.4° | 120.0° |
| H44 | N7 | C25 | 117.8° | 120.0° |
| C27 | C26 | C28 | 111.1° | 109.5° |
| C27 | C26 | H45 | 108.3° | 109.5° |
| C26 | C27 | O8 | 119.9° | 119.9° |
| C26 | C27 | N8 | 118.6° | 120.0° |
| C28 | C26 | H45 | 108.2° | 109.5° |
| C26 | C28 | C29 | 110.7° | 109.5° |
| C26 | C28 | C30 | 112.2° | 109.4° |
| C26 | C28 | H46 | 108.3° | 109.5° |
| O8 | C27 | N8 | 121.5° | 120.0° |
| C29 | C28 | C30 | 108.8° | 109.5° |
| C29 | C28 | H46 | 108.3° | 109.5° |
| C28 | C29 | H47 | 109.5° | 109.5° |
| C28 | C29 | H48 | 109.5° | 109.5° |
| C28 | C29 | H49 | 109.5° | 109.5° |
| C30 | C28 | H46 | 108.4° | 109.5° |
| C28 | C30 | H50 | 109.5° | 109.5° |
| C28 | C30 | H51 | 109.5° | 109.5° |
| C28 | C30 | H52 | 109.5° | 109.4° |
| H47 | C29 | H48 | 109.5° | 109.5° |
| H47 | C29 | H49 | 109.5° | 109.5° |
| H48 | C29 | H49 | 109.5° | 109.4° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| H50 | C30 | H52 | 109.4° | 109.5° |
| H51 | C30 | H52 | 109.5° | 109.5° |
| C31 | N8 | H53 | 117.8° | 120.0° |
| N8 | C31 | C32 | 112.2° | 109.5° |
| N8 | C31 | C35 | 111.3° | 109.5° |
| N8 | C31 | H54 | 108.2° | 109.5° |
| C31 | N8 | C27 | 124.4° | 120.0° |
| H53 | N8 | C27 | 117.8° | 120.0° |
| C32 | C31 | C35 | 110.5° | 109.4° |
| C32 | C31 | H54 | 107.2° | 109.5° |
| C31 | C32 | C33 | 112.5° | 109.5° |
| C31 | C32 | C34 | 113.6° | 109.5° |
| C31 | C32 | H55 | 106.9° | 109.5° |
| C35 | C31 | H54 | 107.3° | 109.5° |
| C31 | C35 | O9 | 120.7° | 120.0° |
| C31 | C35 | N9 | 117.2° | 120.0° |
| C33 | C32 | C34 | 109.4° | 109.4° |
| C33 | C32 | H55 | 107.0° | 109.5° |
| C32 | C33 | H56 | 109.5° | 109.4° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C33 | H58 | 109.5° | 109.4° |
| C34 | C32 | H55 | 107.0° | 109.4° |
| C32 | C34 | H59 | 109.5° | 109.5° |
| C32 | C34 | H60 | 109.5° | 109.5° |
| C32 | C34 | H61 | 109.5° | 109.5° |
| H56 | C33 | H57 | 109.4° | 109.5° |
| H56 | C33 | H58 | 109.4° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.4° |
| H59 | C34 | H61 | 109.5° | 109.5° |
| H60 | C34 | H61 | 109.4° | 109.4° |
| O9 | C35 | N9 | 122.1° | 120.1° |
| C36 | N9 | H62 | 117.9° | 119.9° |
| N9 | C36 | C37 | 113.4° | 109.5° |
| N9 | C36 | C38 | 109.0° | 109.5° |
| N9 | C36 | H63 | 108.2° | 109.5° |
| C36 | N9 | C35 | 124.1° | 120.0° |
| H62 | N9 | C35 | 118.0° | 120.1° |
| C37 | C36 | C38 | 111.6° | 109.4° |
| C37 | C36 | H63 | 107.2° | 109.5° |
| C36 | C37 | O10 | 120.0° | 120.0° |
| C36 | C37 | N11 | 117.4° | 120.0° |
| C38 | C36 | H63 | 107.3° | 109.4° |
| C36 | C38 | C39 | 114.0° | 109.5° |
| C36 | C38 | H64 | 108.3° | 109.5° |
| C36 | C38 | H65 | 108.3° | 109.5° |
| O10 | C37 | N11 | 122.4° | 120.0° |
| C39 | C38 | H64 | 108.3° | 109.5° |
| C39 | C38 | H65 | 108.3° | 109.4° |
| C38 | C39 | C40 | 125.4° | 126.5° |
| C38 | C39 | C41 | 128.6° | 126.5° |
| H64 | C38 | H65 | 109.5° | 109.5° |
| C40 | C39 | C41 | 105.8° | 107.0° |
| C39 | C40 | N10 | 110.1° | 109.9° |
| C39 | C40 | H66 | 124.9° | 125.0° |
| C39 | C41 | C42 | 108.2° | 106.0° |
| C39 | C41 | C43 | 134.5° | 134.1° |
| N10 | C40 | H66 | 125.0° | 125.1° |
| C40 | N10 | C42 | 111.2° | 109.9° |
| C40 | N10 | H67 | 124.4° | 125.0° |
| C42 | C41 | C43 | 117.2° | 119.9° |
| C41 | C42 | N10 | 104.7° | 107.2° |
| C41 | C42 | C44 | 122.2° | 119.4° |
| C41 | C43 | C45 | 121.0° | 119.8° |
| C41 | C43 | H68 | 119.5° | 120.1° |
| C42 | N10 | H67 | 124.4° | 125.1° |
| N10 | C42 | C44 | 133.1° | 133.4° |
| C42 | C44 | C46 | 119.1° | 119.7° |
| C42 | C44 | H69 | 120.4° | 120.1° |
| C45 | C43 | H68 | 119.5° | 120.1° |
| C43 | C45 | C46 | 120.4° | 120.5° |
| C43 | C45 | H70 | 119.8° | 119.7° |
| C46 | C44 | H69 | 120.4° | 120.2° |
| C44 | C46 | C45 | 120.0° | 120.7° |
| C44 | C46 | H71 | 120.0° | 119.6° |
| C46 | C45 | H70 | 119.8° | 119.8° |
| C45 | C46 | H71 | 120.0° | 119.7° |
| C47 | N11 | H72 | 117.5° | 120.0° |
| N11 | C47 | C48 | 108.0° | 109.5° |
| N11 | C47 | C52 | 110.4° | 109.5° |
| N11 | C47 | H73 | 109.0° | 109.5° |
| C47 | N11 | C37 | 124.9° | 120.0° |
| H72 | N11 | C37 | 117.5° | 120.0° |
| C48 | C47 | C52 | 113.1° | 109.5° |
| C48 | C47 | H73 | 108.0° | 109.4° |
| C47 | C48 | C49 | 116.9° | 109.5° |
| C47 | C48 | H74 | 107.6° | 109.5° |
| C47 | C48 | H75 | 107.6° | 109.4° |
| C52 | C47 | H73 | 108.1° | 109.4° |
| C47 | C52 | O11 | 120.9° | 120.0° |
| C47 | C52 | N12 | 117.0° | 120.0° |
| C49 | C48 | H74 | 107.6° | 109.5° |
| C49 | C48 | H75 | 107.6° | 109.4° |
| C48 | C49 | C50 | 111.8° | 109.4° |
| C48 | C49 | C51 | 113.4° | 109.5° |
| C48 | C49 | H76 | 106.8° | 109.5° |
| H74 | C48 | H75 | 109.5° | 109.4° |
| C50 | C49 | C51 | 110.6° | 109.5° |
| C50 | C49 | H76 | 106.9° | 109.5° |
| C49 | C50 | H77 | 109.5° | 109.4° |
| C49 | C50 | H78 | 109.5° | 109.5° |
| C49 | C50 | H79 | 109.5° | 109.5° |
| C51 | C49 | H76 | 106.9° | 109.5° |
| C49 | C51 | H80 | 109.5° | 109.5° |
| C49 | C51 | H81 | 109.5° | 109.4° |
| C49 | C51 | H82 | 109.5° | 109.5° |
| H77 | C50 | H78 | 109.5° | 109.4° |
| H77 | C50 | H79 | 109.5° | 109.5° |
| H78 | C50 | H79 | 109.4° | 109.5° |
| H80 | C51 | H81 | 109.4° | 109.5° |
| H80 | C51 | H82 | 109.5° | 109.5° |
| H81 | C51 | H82 | 109.4° | 109.4° |
| O11 | C52 | N12 | 122.1° | 120.0° |
| C53 | N12 | H83 | 117.0° | 120.0° |
| N12 | C53 | C54 | 112.6° | 109.5° |
| N12 | C53 | C55 | 109.6° | 109.5° |
| N12 | C53 | H84 | 108.6° | 109.4° |
| C53 | N12 | C52 | 125.9° | 120.0° |
| H83 | N12 | C52 | 117.1° | 120.0° |
| C54 | C53 | C55 | 110.6° | 109.5° |
| C54 | C53 | H84 | 107.7° | 109.4° |
| C53 | C54 | O12 | 121.8° | 120.0° |
| C53 | C54 | N14 | 115.7° | 120.0° |
| C55 | C53 | H84 | 107.6° | 109.5° |
| C53 | C55 | C56 | 117.6° | 109.5° |
| C53 | C55 | H85 | 107.4° | 109.5° |
| C53 | C55 | H86 | 107.4° | 109.5° |
| O12 | C54 | N14 | 122.5° | 120.0° |
| C56 | C55 | H85 | 107.4° | 109.4° |
| C56 | C55 | H86 | 107.4° | 109.5° |
| C55 | C56 | C57 | 126.3° | 126.5° |
| C55 | C56 | C58 | 128.2° | 126.5° |
| H85 | C55 | H86 | 109.5° | 109.5° |
| C57 | C56 | C58 | 105.5° | 107.0° |
| C56 | C57 | N13 | 110.3° | 109.9° |
| C56 | C57 | H87 | 124.8° | 125.0° |
| C56 | C58 | C59 | 108.3° | 106.0° |
| C56 | C58 | C60 | 134.7° | 134.0° |
| N13 | C57 | H87 | 124.8° | 125.1° |
| C57 | N13 | C59 | 111.1° | 109.9° |
| C57 | N13 | H88 | 124.4° | 125.1° |
| C59 | C58 | C60 | 117.0° | 120.0° |
| C58 | C59 | N13 | 104.8° | 107.2° |
| C58 | C59 | C61 | 122.4° | 119.3° |
| C58 | C60 | C62 | 121.2° | 119.7° |
| C58 | C60 | H89 | 119.4° | 120.1° |
| C59 | N13 | H88 | 124.5° | 125.1° |
| N13 | C59 | C61 | 132.9° | 133.5° |
| C59 | C61 | C63 | 119.1° | 119.8° |
| C59 | C61 | H90 | 120.5° | 120.1° |
| C62 | C60 | H89 | 119.4° | 120.1° |
| C60 | C62 | C63 | 120.4° | 120.5° |
| C60 | C62 | H91 | 119.8° | 119.7° |
| C63 | C61 | H90 | 120.4° | 120.1° |
| C61 | C63 | C62 | 119.9° | 120.7° |
| C61 | C63 | H92 | 120.0° | 119.7° |
| C63 | C62 | H91 | 119.8° | 119.8° |
| C62 | C63 | H92 | 120.1° | 119.6° |
| C64 | N14 | H93 | 117.3° | 120.0° |
| N14 | C64 | C65 | 108.7° | 109.5° |
| N14 | C64 | C69 | 110.7° | 109.5° |
| N14 | C64 | H94 | 108.9° | 109.5° |
| C64 | N14 | C54 | 125.3° | 120.0° |
| H93 | N14 | C54 | 117.3° | 120.0° |
| C65 | C64 | C69 | 112.5° | 109.5° |
| C65 | C64 | H94 | 107.9° | 109.5° |
| C64 | C65 | C66 | 114.5° | 109.5° |
| C64 | C65 | H95 | 108.2° | 109.5° |
| C64 | C65 | H96 | 108.2° | 109.4° |
| C69 | C64 | H94 | 107.9° | 109.4° |
| C64 | C69 | O13 | 120.4° | 120.0° |
| C64 | C69 | N15 | 117.2° | 120.0° |
| C66 | C65 | H95 | 108.2° | 109.5° |
| C66 | C65 | H96 | 108.2° | 109.5° |
| C65 | C66 | C67 | 113.0° | 109.5° |
| C65 | C66 | C68 | 109.3° | 109.5° |
| C65 | C66 | H97 | 108.3° | 109.4° |
| H95 | C65 | H96 | 109.4° | 109.5° |
| C67 | C66 | C68 | 109.5° | 109.5° |
| C67 | C66 | H97 | 108.3° | 109.5° |
| C66 | C67 | H98 | 109.5° | 109.5° |
| C66 | C67 | H99 | 109.5° | 109.5° |
| C66 | C67 | H100 | 109.5° | 109.6° |
| C68 | C66 | H97 | 108.3° | 109.5° |
| C66 | C68 | H101 | 109.5° | 109.5° |
| C66 | C68 | H102 | 109.5° | 109.5° |
| C66 | C68 | H103 | 109.5° | 109.5° |
| H98 | C67 | H99 | 109.5° | 109.4° |
| H98 | C67 | H100 | 109.5° | 109.5° |
| H99 | C67 | H100 | 109.4° | 109.4° |
| H101 | C68 | H102 | 109.4° | 109.5° |
| H101 | C68 | H103 | 109.4° | 109.4° |
| H102 | C68 | H103 | 109.5° | 109.5° |
| O13 | C69 | N15 | 122.4° | 120.0° |
| C70 | N15 | H104 | 117.6° | 120.0° |
| N15 | C70 | C71 | 111.8° | 109.5° |
| N15 | C70 | C72 | 109.2° | 109.5° |
| N15 | C70 | H105 | 108.9° | 109.5° |
| C70 | N15 | C69 | 124.7° | 120.0° |
| H104 | N15 | C69 | 117.7° | 120.0° |
| C71 | C70 | C72 | 110.7° | 109.5° |
| C71 | C70 | H105 | 108.0° | 109.4° |
| C70 | C71 | O14 | 120.5° | 120.0° |
| C70 | C71 | N17 | 117.3° | 120.1° |
| C72 | C70 | H105 | 108.0° | 109.5° |
| C70 | C72 | C73 | 115.7° | 109.5° |
| C70 | C72 | H106 | 107.9° | 109.5° |
| C70 | C72 | H107 | 107.9° | 109.5° |
| O14 | C71 | N17 | 122.2° | 119.9° |
| C73 | C72 | H106 | 107.9° | 109.5° |
| C73 | C72 | H107 | 107.9° | 109.5° |
| C72 | C73 | C74 | 125.5° | 126.5° |
| C72 | C73 | C75 | 128.7° | 126.5° |
| H106 | C72 | H107 | 109.5° | 109.4° |
| C74 | C73 | C75 | 105.7° | 107.0° |
| C73 | C74 | N16 | 110.2° | 109.9° |
| C73 | C74 | H108 | 124.9° | 125.1° |
| C73 | C75 | C76 | 108.2° | 106.0° |
| C73 | C75 | C77 | 134.7° | 134.1° |
| N16 | C74 | H108 | 125.0° | 125.0° |
| C74 | N16 | C76 | 111.1° | 109.9° |
| C74 | N16 | H109 | 124.5° | 125.0° |
| C76 | C75 | C77 | 117.0° | 119.9° |
| C75 | C76 | N16 | 104.8° | 107.1° |
| C75 | C76 | C78 | 122.4° | 119.3° |
| C75 | C77 | C79 | 121.1° | 119.7° |
| C75 | C77 | H110 | 119.5° | 120.1° |
| C76 | N16 | H109 | 124.4° | 125.1° |
| N16 | C76 | C78 | 132.9° | 133.6° |
| C76 | C78 | C80 | 119.1° | 119.8° |
| C76 | C78 | H111 | 120.5° | 120.1° |
| C79 | C77 | H110 | 119.4° | 120.1° |
| C77 | C79 | C80 | 120.4° | 120.5° |
| C77 | C79 | H112 | 119.8° | 119.7° |
| C80 | C78 | H111 | 120.4° | 120.1° |
| C78 | C80 | C79 | 120.0° | 120.6° |
| C78 | C80 | H113 | 120.0° | 119.7° |
| C80 | C79 | H112 | 119.8° | 119.7° |
| C79 | C80 | H113 | 120.0° | 119.7° |
| C81 | N17 | H114 | 117.3° | 120.0° |
| N17 | C81 | C82 | 110.1° | 109.5° |
| N17 | C81 | C86 | 111.6° | 109.5° |
| N17 | C81 | H115 | 108.8° | 109.4° |
| C81 | N17 | C71 | 125.4° | 120.1° |
| H114 | N17 | C71 | 117.3° | 120.0° |
| C82 | C81 | C86 | 110.6° | 109.5° |
| C82 | C81 | H115 | 107.9° | 109.5° |
| C81 | C82 | C83 | 115.1° | 109.4° |
| C81 | C82 | H116 | 108.1° | 109.5° |
| C81 | C82 | H117 | 108.1° | 109.4° |
| C86 | C81 | H115 | 107.9° | 109.4° |
| C81 | C86 | O15 | 120.2° | 120.0° |
| C81 | C86 | N18 | 117.5° | 120.0° |
| C83 | C82 | H116 | 108.0° | 109.5° |
| C83 | C82 | H117 | 108.0° | 109.4° |
| C82 | C83 | C84 | 109.3° | 109.5° |
| C82 | C83 | C85 | 113.4° | 109.4° |
| C82 | C83 | H118 | 108.2° | 109.5° |
| H116 | C82 | H117 | 109.4° | 109.5° |
| C84 | C83 | C85 | 109.2° | 109.5° |
| C84 | C83 | H118 | 108.3° | 109.5° |
| C83 | C84 | H119 | 109.5° | 109.5° |
| C83 | C84 | H120 | 109.5° | 109.4° |
| C83 | C84 | H121 | 109.5° | 109.5° |
| C85 | C83 | H118 | 108.3° | 109.5° |
| C83 | C85 | H122 | 109.5° | 109.5° |
| C83 | C85 | H123 | 109.4° | 109.4° |
| C83 | C85 | H124 | 109.5° | 109.4° |
| H119 | C84 | H120 | 109.5° | 109.4° |
| H119 | C84 | H121 | 109.5° | 109.5° |
| H120 | C84 | H121 | 109.5° | 109.5° |
| H122 | C85 | H123 | 109.5° | 109.5° |
| H122 | C85 | H124 | 109.5° | 109.5° |
| H123 | C85 | H124 | 109.5° | 109.5° |
| O15 | C86 | N18 | 122.2° | 120.0° |
| C87 | N18 | H125 | 117.4° | 120.0° |
| N18 | C87 | C88 | 114.9° | 109.5° |
| N18 | C87 | H126 | 108.1° | 109.5° |
| N18 | C87 | H127 | 108.1° | 109.4° |
| C87 | N18 | C86 | 125.2° | 120.1° |
| H125 | N18 | C86 | 117.4° | 120.0° |
| C88 | C87 | H126 | 108.1° | 109.5° |
| C88 | C87 | H127 | 108.1° | 109.5° |
| C87 | C88 | O16 | 121.6° | 119.9° |
| C87 | C88 | N19 | 116.1° | 120.0° |
| H126 | C87 | H127 | 109.5° | 109.4° |
| O16 | C88 | N19 | 122.3° | 120.1° |
| N19 | C89 | C90 | 110.8° | 109.5° |
| N19 | C89 | H128 | 109.1° | 109.4° |
| N19 | C89 | H129 | 109.2° | 109.5° |
| C89 | N19 | H130 | 117.7° | 120.0° |
| C89 | N19 | C88 | 124.5° | 120.0° |
| C90 | C89 | H128 | 109.1° | 109.4° |
| C90 | C89 | H129 | 109.1° | 109.4° |
| C89 | C90 | O17 | 110.9° | 109.5° |
| C89 | C90 | H131 | 109.1° | 109.5° |
| C89 | C90 | H132 | 109.1° | 109.5° |
| H128 | C89 | H129 | 109.5° | 109.5° |
| H130 | N19 | C88 | 117.7° | 120.0° |
| O17 | C90 | H131 | 109.1° | 109.5° |
| O17 | C90 | H132 | 109.1° | 109.4° |
| C90 | O17 | H133 | 109.5° | 114.0° |
| H131 | C90 | H132 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N2 | 177.2° | 179.7° |
| O1 | C1 | C2 | N1 | 30.3° | 0.3° |
| O1 | C1 | C2 | C3 | 96.1° | 119.7° |
| O1 | C1 | C2 | H2 | 147.9° | 120.3° |
| O1 | C1 | N2 | C7 | 6.8° | 0.3° |
| O1 | C1 | N2 | H11 | 173.2° | 179.7° |
| C1 | C2 | N1 | H1 | 39.9° | 25.0° |
| C1 | C2 | N1 | C6 | 140.1° | 155.0° |
| C1 | C2 | N1 | C3 | 126.0° | 120.0° |
| C1 | C2 | N1 | H2 | 117.1° | 120.0° |
| C1 | C2 | C3 | H2 | 116.2° | 120.1° |
| C1 | C2 | C3 | H3 | 69.5° | 60.0° |
| C1 | C2 | C3 | C5 | 48.3° | 60.0° |
| C1 | C2 | C3 | C4 | 173.0° | 180.0° |
| C2 | C1 | N2 | C7 | 170.3° | 180.0° |
| C2 | C1 | N2 | H11 | 9.7° | 0.0° |
| H1 | N1 | C6 | C2 | 180.0° | 180.0° |
| H1 | N1 | C2 | C3 | 86.0° | 95.0° |
| H1 | N1 | C2 | H2 | 157.0° | 145.0° |
| H1 | N1 | C6 | O2 | 176.3° | 180.0° |
| H1 | N1 | C6 | H10 | 3.6° | 0.0° |
| C6 | N1 | C2 | C3 | 94.0° | 85.0° |
| C6 | N1 | C2 | H2 | 23.0° | 35.0° |
| N1 | C6 | O2 | H10 | 180.0° | 179.9° |
| N1 | C2 | C3 | H2 | 117.5° | 120.0° |
| N1 | C2 | C3 | H3 | 164.2° | 180.0° |
| N1 | C2 | C3 | C5 | 78.0° | 60.0° |
| N1 | C2 | C3 | C4 | 46.7° | 60.0° |
| C2 | N1 | C6 | O2 | 3.6° | 0.0° |
| C2 | N1 | C6 | H10 | 176.4° | 180.0° |
| N1 | C2 | C1 | N2 | 152.5° | 180.0° |
| C2 | C3 | H3 | C5 | 122.2° | 120.0° |
| C2 | C3 | H3 | C4 | 121.5° | 120.0° |
| C2 | C3 | C5 | C4 | 127.1° | 120.0° |
| C2 | C3 | C4 | H6 | 180.0° | 60.1° |
| C2 | C3 | C4 | H5 | 60.0° | 59.9° |
| C2 | C3 | C4 | H4 | 60.0° | 180.0° |
| C2 | C3 | C5 | H8 | 180.0° | 180.0° |
| C2 | C3 | C5 | H9 | 60.0° | 60.0° |
| C2 | C3 | C5 | H7 | 60.0° | 60.0° |
| C3 | C2 | C1 | N2 | 81.1° | 60.0° |
| H2 | C2 | C3 | H3 | 46.7° | 60.0° |
| H2 | C2 | C3 | C5 | 164.5° | 180.0° |
| H2 | C2 | C3 | C4 | 70.8° | 59.9° |
| H2 | C2 | C1 | N2 | 35.0° | 60.1° |
| H3 | C3 | C5 | C4 | 115.2° | 120.0° |
| H3 | C3 | C4 | H6 | 62.7° | 180.0° |
| H3 | C3 | C4 | H5 | 57.4° | 60.0° |
| H3 | C3 | C4 | H4 | 177.3° | 60.0° |
| H3 | C3 | C5 | H8 | 62.3° | 60.0° |
| H3 | C3 | C5 | H9 | 177.8° | NaN° |
| H3 | C3 | C5 | H7 | 57.7° | 60.0° |
| C5 | C3 | C4 | H6 | 52.5° | 60.0° |
| C5 | C3 | C4 | H5 | 172.5° | 180.0° |
| C5 | C3 | C4 | H4 | 67.5° | 60.0° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| C3 | C5 | H8 | H7 | 120.0° | 120.0° |
| C3 | C5 | H9 | H7 | 120.0° | 120.1° |
| C3 | C4 | H6 | H5 | 120.0° | 120.1° |
| C3 | C4 | H6 | H4 | 120.0° | 120.0° |
| C3 | C4 | H5 | H4 | 120.0° | 120.0° |
| C4 | C3 | C5 | H8 | 52.9° | 60.0° |
| C4 | C3 | C5 | H9 | 67.1° | 60.0° |
| C4 | C3 | C5 | H7 | 172.9° | 179.9° |
| H6 | C4 | H5 | H4 | 120.0° | 119.9° |
| H8 | C5 | H9 | H7 | 120.0° | 119.9° |
| C7 | N2 | H11 | C1 | 180.0° | 179.9° |
| N2 | C7 | C8 | H12 | 120.6° | 120.0° |
| N2 | C7 | C8 | H13 | 120.6° | 120.0° |
| N2 | C7 | H12 | H13 | 118.1° | 119.9° |
| N2 | C7 | C8 | O3 | 99.0° | 0.0° |
| N2 | C7 | C8 | N3 | 82.0° | 180.0° |
| H11 | N2 | C7 | C8 | 58.3° | 0.0° |
| H11 | N2 | C7 | H12 | 62.3° | 120.1° |
| H11 | N2 | C7 | H13 | 178.9° | 120.1° |
| C8 | C7 | H12 | H13 | 118.2° | 120.1° |
| C7 | C8 | O3 | N3 | 178.9° | 180.0° |
| C7 | C8 | N3 | C9 | 178.7° | 180.0° |
| C7 | C8 | N3 | H14 | 1.3° | 0.0° |
| C8 | C7 | N2 | C1 | 121.8° | 180.0° |
| H12 | C7 | C8 | O3 | 21.6° | 120.0° |
| H12 | C7 | N2 | C1 | 117.6° | 60.0° |
| H12 | C7 | C8 | N3 | 157.4° | 60.0° |
| H13 | C7 | C8 | O3 | 140.4° | 120.0° |
| H13 | C7 | N2 | C1 | 1.2° | 59.9° |
| H13 | C7 | C8 | N3 | 38.6° | 60.0° |
| O3 | C8 | N3 | C9 | 2.3° | 0.0° |
| O3 | C8 | N3 | H14 | 177.7° | 180.0° |
| C9 | N3 | H14 | C8 | 180.0° | 180.0° |
| N3 | C9 | C10 | C11 | 124.4° | 120.0° |
| N3 | C9 | C10 | H15 | 118.5° | 119.9° |
| N3 | C9 | C11 | H15 | 117.3° | 120.0° |
| N3 | C9 | C10 | O4 | 28.5° | 0.0° |
| N3 | C9 | C11 | H16 | 180.0° | 60.0° |
| N3 | C9 | C11 | H17 | 60.0° | 180.0° |
| N3 | C9 | C11 | H18 | 60.0° | 60.0° |
| N3 | C9 | C10 | N4 | 150.4° | 180.0° |
| H14 | N3 | C9 | C10 | 30.6° | 25.0° |
| H14 | N3 | C9 | C11 | 94.6° | 95.0° |
| H14 | N3 | C9 | H15 | 148.6° | 145.0° |
| C10 | C9 | C11 | H15 | 117.1° | 120.0° |
| C9 | C10 | O4 | N4 | 178.9° | 180.0° |
| C10 | C9 | C11 | H16 | 54.4° | 60.0° |
| C10 | C9 | C11 | H17 | 174.4° | 60.0° |
| C10 | C9 | C11 | H18 | 65.6° | 180.0° |
| C9 | C10 | N4 | C12 | 165.1° | 174.9° |
| C9 | C10 | N4 | H19 | 14.8° | 5.1° |
| C10 | C9 | N3 | C8 | 149.4° | 155.0° |
| C11 | C9 | C10 | O4 | 95.9° | 120.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C11 | C9 | N3 | C8 | 85.4° | 85.0° |
| C11 | C9 | C10 | N4 | 85.2° | 60.0° |
| H15 | C9 | C10 | O4 | 147.0° | 120.0° |
| H15 | C9 | C11 | H16 | 62.7° | 180.0° |
| H15 | C9 | C11 | H17 | 57.3° | 60.0° |
| H15 | C9 | C11 | H18 | 177.3° | 60.0° |
| H15 | C9 | N3 | C8 | 31.4° | 35.0° |
| H15 | C9 | C10 | N4 | 31.9° | 60.1° |
| O4 | C10 | N4 | C12 | 13.8° | 5.0° |
| O4 | C10 | N4 | H19 | 166.2° | 175.0° |
| H16 | C11 | H17 | H18 | 120.0° | 120.0° |
| C12 | N4 | H19 | C10 | 180.0° | 180.0° |
| N4 | C12 | C13 | C17 | 120.4° | 120.0° |
| N4 | C12 | C13 | H20 | 119.0° | 120.0° |
| N4 | C12 | C17 | H20 | 119.3° | 119.9° |
| N4 | C12 | C13 | C14 | 175.6° | 53.7° |
| N4 | C12 | C13 | H21 | 54.5° | 66.3° |
| N4 | C12 | C13 | H22 | 63.3° | 173.7° |
| N4 | C12 | C17 | O5 | 55.6° | 2.3° |
| N4 | C12 | C17 | N5 | 124.6° | 177.7° |
| H19 | N4 | C12 | C13 | 36.2° | 98.6° |
| H19 | N4 | C12 | C17 | 86.9° | 21.4° |
| H19 | N4 | C12 | H20 | 154.5° | 141.3° |
| C13 | C12 | C17 | H20 | 120.6° | 120.1° |
| C12 | C13 | C14 | H21 | 121.1° | 120.0° |
| C12 | C13 | C14 | H22 | 121.1° | 120.0° |
| C12 | C13 | H21 | H22 | 116.6° | 120.0° |
| C12 | C13 | C14 | C15 | 48.0° | 171.2° |
| C12 | C13 | C14 | C16 | 77.9° | 68.8° |
| C12 | C13 | C14 | H23 | 164.9° | 51.2° |
| C13 | C12 | C17 | O5 | 64.5° | 122.3° |
| C13 | C12 | N4 | C10 | 143.8° | 81.4° |
| C13 | C12 | C17 | N5 | 115.3° | 57.7° |
| C17 | C12 | C13 | C14 | 55.2° | 66.3° |
| C17 | C12 | C13 | H21 | 65.9° | 173.7° |
| C17 | C12 | C13 | H22 | 176.3° | 53.7° |
| C12 | C17 | O5 | N5 | 179.7° | 180.0° |
| C12 | C17 | N5 | C18 | 178.3° | 180.0° |
| C12 | C17 | N5 | H30 | 1.7° | 0.1° |
| C17 | C12 | N4 | C10 | 93.1° | 158.6° |
| H20 | C12 | C13 | C14 | 65.4° | 173.7° |
| H20 | C12 | C13 | H21 | 173.5° | 53.6° |
| H20 | C12 | C13 | H22 | 55.7° | 66.3° |
| H20 | C12 | C17 | O5 | 174.9° | 117.6° |
| H20 | C12 | N4 | C10 | 25.5° | 38.7° |
| H20 | C12 | C17 | N5 | 5.3° | 62.4° |
| C14 | C13 | H21 | H22 | 116.6° | 120.0° |
| C13 | C14 | C15 | C16 | 127.8° | 120.0° |
| C13 | C14 | C15 | H23 | 116.9° | 120.0° |
| C13 | C14 | C16 | H23 | 117.1° | 120.0° |
| C13 | C14 | C15 | H24 | 180.0° | 60.0° |
| C13 | C14 | C15 | H25 | 60.0° | 180.0° |
| C13 | C14 | C15 | H26 | 60.0° | 60.0° |
| C13 | C14 | C16 | H27 | 180.0° | 72.2° |
| C13 | C14 | C16 | H28 | 60.0° | 167.8° |
| C13 | C14 | C16 | H29 | 60.0° | 47.7° |
| H21 | C13 | C14 | C15 | 169.0° | 51.2° |
| H21 | C13 | C14 | C16 | 43.1° | 171.2° |
| H21 | C13 | C14 | H23 | 74.1° | 68.8° |
| H22 | C13 | C14 | C15 | 73.1° | 68.8° |
| H22 | C13 | C14 | C16 | 161.0° | 51.2° |
| H22 | C13 | C14 | H23 | 43.8° | 171.2° |
| C15 | C14 | C16 | H23 | 115.3° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H26 | 120.0° | 120.1° |
| C14 | C15 | H25 | H26 | 120.0° | 120.0° |
| C15 | C14 | C16 | H27 | 52.4° | 167.8° |
| C15 | C14 | C16 | H28 | 67.6° | 47.8° |
| C15 | C14 | C16 | H29 | 172.4° | 72.3° |
| C16 | C14 | C15 | H24 | 52.2° | 60.0° |
| C16 | C14 | C15 | H25 | 172.2° | 60.0° |
| C16 | C14 | C15 | H26 | 67.8° | 180.0° |
| C14 | C16 | H27 | H28 | 120.0° | 120.0° |
| C14 | C16 | H27 | H29 | 120.0° | 119.9° |
| C14 | C16 | H28 | H29 | 120.0° | 120.0° |
| H23 | C14 | C15 | H24 | 63.1° | 179.9° |
| H23 | C14 | C15 | H25 | 56.9° | 60.0° |
| H23 | C14 | C15 | H26 | 176.9° | 60.0° |
| H23 | C14 | C16 | H27 | 62.9° | 47.8° |
| H23 | C14 | C16 | H28 | 177.1° | 72.2° |
| H23 | C14 | C16 | H29 | 57.1° | 167.8° |
| H24 | C15 | H25 | H26 | 119.9° | 120.0° |
| H27 | C16 | H28 | H29 | 120.0° | 120.0° |
| O5 | C17 | N5 | C18 | 1.5° | 0.0° |
| O5 | C17 | N5 | H30 | 178.5° | 179.9° |
| C18 | N5 | H30 | C17 | 180.0° | 179.9° |
| N5 | C18 | C19 | C20 | 122.8° | 120.0° |
| N5 | C18 | C19 | H31 | 119.7° | 120.1° |
| N5 | C18 | C20 | H31 | 118.1° | 120.0° |
| N5 | C18 | C19 | O6 | 46.5° | 0.1° |
| N5 | C18 | C20 | H32 | 180.0° | 60.0° |
| N5 | C18 | C20 | H33 | 60.0° | 180.0° |
| N5 | C18 | C20 | H34 | 60.0° | 60.1° |
| N5 | C18 | C19 | N6 | 136.5° | 180.0° |
| H30 | N5 | C18 | C19 | 74.8° | 24.9° |
| H30 | N5 | C18 | C20 | 48.4° | 95.0° |
| H30 | N5 | C18 | H31 | 166.0° | 145.0° |
| C19 | C18 | C20 | H31 | 117.5° | 120.0° |
| C18 | C19 | O6 | N6 | 176.8° | 179.9° |
| C19 | C18 | C20 | H32 | 55.6° | 60.0° |
| C19 | C18 | C20 | H33 | 175.6° | 60.0° |
| C19 | C18 | C20 | H34 | 64.4° | 180.0° |
| C18 | C19 | N6 | C21 | 175.7° | 180.0° |
| C18 | C19 | N6 | H35 | 4.3° | 0.1° |
| C19 | C18 | N5 | C17 | 105.2° | 155.0° |
| C20 | C18 | C19 | O6 | 76.2° | 120.0° |
| C18 | C20 | H32 | H33 | 120.0° | 120.0° |
| C18 | C20 | H32 | H34 | 120.0° | 120.0° |
| C18 | C20 | H33 | H34 | 120.0° | 120.0° |
| C20 | C18 | N5 | C17 | 131.6° | 85.0° |
| C20 | C18 | C19 | N6 | 100.7° | 60.1° |
| H31 | C18 | C19 | O6 | 166.3° | 120.0° |
| H31 | C18 | C20 | H32 | 61.9° | 180.0° |
| H31 | C18 | C20 | H33 | 58.1° | 60.0° |
| H31 | C18 | C20 | H34 | 178.1° | 59.9° |
| H31 | C18 | N5 | C17 | 14.1° | 35.0° |
| H31 | C18 | C19 | N6 | 16.8° | 59.9° |
| O6 | C19 | N6 | C21 | 1.2° | 0.1° |
| O6 | C19 | N6 | H35 | 178.9° | 180.0° |
| H32 | C20 | H33 | H34 | 120.0° | 120.0° |
| C21 | N6 | H35 | C19 | 180.0° | 179.9° |
| N6 | C21 | C22 | C25 | 122.7° | 120.0° |
| N6 | C21 | C22 | H36 | 118.6° | 120.0° |
| N6 | C21 | C25 | H36 | 118.9° | 120.0° |
| N6 | C21 | C22 | C23 | 56.7° | 57.0° |
| N6 | C21 | C22 | C24 | 178.3° | 63.0° |
| N6 | C21 | C22 | H37 | 62.4° | 177.0° |
| N6 | C21 | C25 | O7 | 44.3° | 8.3° |
| N6 | C21 | C25 | N7 | 135.3° | 171.6° |
| H35 | N6 | C21 | C22 | 78.4° | 95.0° |
| H35 | N6 | C21 | C25 | 45.3° | 25.0° |
| H35 | N6 | C21 | H36 | 163.6° | 145.0° |
| C22 | C21 | C25 | H36 | 118.7° | 119.9° |
| C21 | C22 | C23 | C24 | 123.7° | 120.0° |
| C21 | C22 | C23 | H37 | 119.1° | 120.0° |
| C21 | C22 | C24 | H37 | 119.2° | 120.0° |
| C21 | C22 | C23 | H38 | 180.0° | 60.0° |
| C21 | C22 | C23 | H39 | 60.0° | 179.9° |
| C21 | C22 | C23 | H40 | 60.0° | 60.0° |
| C21 | C22 | C24 | H41 | 180.0° | 61.9° |
| C21 | C22 | C24 | H42 | 60.0° | 178.0° |
| C21 | C22 | C24 | H43 | 60.0° | 58.1° |
| C22 | C21 | C25 | O7 | 78.1° | 111.7° |
| C22 | C21 | N6 | C19 | 101.5° | 84.9° |
| C22 | C21 | C25 | N7 | 102.4° | 68.4° |
| C25 | C21 | C22 | C23 | 179.3° | 63.0° |
| C25 | C21 | C22 | C24 | 59.0° | 177.0° |
| C25 | C21 | C22 | H37 | 60.2° | 57.0° |
| C21 | C25 | O7 | N7 | 179.5° | 179.9° |
| C21 | C25 | N7 | C26 | 172.3° | 175.0° |
| C21 | C25 | N7 | H44 | 7.6° | 4.9° |
| C25 | C21 | N6 | C19 | 134.7° | 155.1° |
| H36 | C21 | C22 | C23 | 61.9° | 177.0° |
| H36 | C21 | C22 | C24 | 59.7° | 57.0° |
| H36 | C21 | C22 | H37 | 179.0° | 63.0° |
| H36 | C21 | C25 | O7 | 163.2° | 128.3° |
| H36 | C21 | N6 | C19 | 16.4° | 35.1° |
| H36 | C21 | C25 | N7 | 16.4° | 51.6° |
| C23 | C22 | C24 | H37 | 117.2° | 120.0° |
| C22 | C23 | H38 | H39 | 120.0° | 120.0° |
| C22 | C23 | H38 | H40 | 120.0° | 120.0° |
| C22 | C23 | H39 | H40 | 120.0° | 120.0° |
| C23 | C22 | C24 | H41 | 56.3° | 178.1° |
| C23 | C22 | C24 | H42 | 63.7° | 58.0° |
| C23 | C22 | C24 | H43 | 176.3° | 61.9° |
| C24 | C22 | C23 | H38 | 56.3° | 60.0° |
| C24 | C22 | C23 | H39 | 176.3° | 60.0° |
| C24 | C22 | C23 | H40 | 63.7° | 180.0° |
| C22 | C24 | H41 | H42 | 120.0° | 120.0° |
| C22 | C24 | H41 | H43 | 120.0° | 120.0° |
| C22 | C24 | H42 | H43 | 120.0° | 120.0° |
| H37 | C22 | C23 | H38 | 60.9° | 180.0° |
| H37 | C22 | C23 | H39 | 59.1° | 60.0° |
| H37 | C22 | C23 | H40 | 179.1° | 60.0° |
| H37 | C22 | C24 | H41 | 60.8° | 58.1° |
| H37 | C22 | C24 | H42 | 179.2° | 61.9° |
| H37 | C22 | C24 | H43 | 59.1° | 178.1° |
| H38 | C23 | H39 | H40 | 120.0° | 120.1° |
| H41 | C24 | H42 | H43 | 120.0° | 120.0° |
| O7 | C25 | N7 | C26 | 7.2° | 5.1° |
| O7 | C25 | N7 | H44 | 172.8° | 175.0° |
| C26 | N7 | H44 | C25 | 180.0° | 179.9° |
| N7 | C26 | C27 | C28 | 122.6° | 120.0° |
| N7 | C26 | C27 | H45 | 118.7° | 119.9° |
| N7 | C26 | C28 | H45 | 119.8° | 120.0° |
| N7 | C26 | C27 | O8 | 71.5° | 156.3° |
| N7 | C26 | C28 | C29 | 174.0° | 61.2° |
| N7 | C26 | C28 | C30 | 52.2° | 178.8° |
| N7 | C26 | C28 | H46 | 67.4° | 58.8° |
| N7 | C26 | C27 | N8 | 107.3° | 23.7° |
| H44 | N7 | C26 | C27 | 81.0° | 25.0° |
| H44 | N7 | C26 | C28 | 41.7° | 95.0° |
| H44 | N7 | C26 | H45 | 160.9° | 145.0° |
| C27 | C26 | C28 | H45 | 118.7° | 120.1° |
| C26 | C27 | O8 | N8 | 178.8° | 180.0° |
| C27 | C26 | C28 | C29 | 64.6° | 58.8° |
| C27 | C26 | C28 | C30 | 173.7° | 61.2° |
| C27 | C26 | C28 | H46 | 54.1° | 178.8° |
| C26 | C27 | N8 | C31 | 169.6° | 175.2° |
| C26 | C27 | N8 | H53 | 10.4° | 4.8° |
| C27 | C26 | N7 | C25 | 99.0° | 155.1° |
| C28 | C26 | C27 | O8 | 51.1° | 83.7° |
| C26 | C28 | C29 | C30 | 123.7° | 119.9° |
| C26 | C28 | C29 | H46 | 118.6° | 120.0° |
| C26 | C28 | C30 | H46 | 119.6° | 120.0° |
| C26 | C28 | C29 | H47 | 180.0° | 55.3° |
| C26 | C28 | C29 | H48 | 60.0° | 175.4° |
| C26 | C28 | C29 | H49 | 60.0° | 64.7° |
| C26 | C28 | C30 | H50 | 180.0° | 65.6° |
| C26 | C28 | C30 | H51 | 60.0° | 54.5° |
| C26 | C28 | C30 | H52 | 60.0° | 174.5° |
| C28 | C26 | N7 | C25 | 138.3° | 84.9° |
| C28 | C26 | C27 | N8 | 130.0° | 96.3° |
| H45 | C26 | C27 | O8 | 169.8° | 36.4° |
| H45 | C26 | C28 | C29 | 54.2° | 178.8° |
| H45 | C26 | C28 | C30 | 67.6° | 58.8° |
| H45 | C26 | C28 | H46 | 172.8° | 61.2° |
| H45 | C26 | N7 | C25 | 19.1° | 35.1° |
| H45 | C26 | C27 | N8 | 11.3° | 143.6° |
| O8 | C27 | N8 | C31 | 9.3° | 4.8° |
| O8 | C27 | N8 | H53 | 170.7° | 175.2° |
| C29 | C28 | C30 | H46 | 117.6° | 120.0° |
| C28 | C29 | H47 | H48 | 120.0° | 120.0° |
| C28 | C29 | H47 | H49 | 120.0° | 120.0° |
| C28 | C29 | H48 | H49 | 120.0° | 120.0° |
| C29 | C28 | C30 | H50 | 57.2° | 54.4° |
| C29 | C28 | C30 | H51 | 62.8° | 174.5° |
| C29 | C28 | C30 | H52 | 177.1° | 65.6° |
| C30 | C28 | C29 | H47 | 56.3° | 64.6° |
| C30 | C28 | C29 | H48 | 176.3° | 55.4° |
| C30 | C28 | C29 | H49 | 63.8° | 175.3° |
| C28 | C30 | H50 | H51 | 120.0° | 120.0° |
| C28 | C30 | H50 | H52 | 120.0° | 119.9° |
| C28 | C30 | H51 | H52 | 120.0° | 119.9° |
| H46 | C28 | C29 | H47 | 61.4° | 175.4° |
| H46 | C28 | C29 | H48 | 58.6° | 64.6° |
| H46 | C28 | C29 | H49 | 178.6° | 55.3° |
| H46 | C28 | C30 | H50 | 60.4° | 174.4° |
| H46 | C28 | C30 | H51 | 179.6° | 65.5° |
| H46 | C28 | C30 | H52 | 59.5° | 54.5° |
| H47 | C29 | H48 | H49 | 120.0° | 120.0° |
| H50 | C30 | H51 | H52 | 120.0° | 120.0° |
| C31 | N8 | H53 | C27 | 180.0° | 180.0° |
| N8 | C31 | C32 | C35 | 124.8° | 120.0° |
| N8 | C31 | C32 | H54 | 118.6° | 120.1° |
| N8 | C31 | C35 | H54 | 118.2° | 120.0° |
| N8 | C31 | C32 | C33 | 57.0° | 57.2° |
| N8 | C31 | C32 | C34 | 68.0° | 62.8° |
| N8 | C31 | C32 | H55 | 174.2° | 177.2° |
| N8 | C31 | C35 | O9 | 32.7° | 9.5° |
| N8 | C31 | C35 | N9 | 150.2° | 170.4° |
| H53 | N8 | C31 | C32 | 93.3° | 85.5° |
| H53 | N8 | C31 | C35 | 31.1° | 34.4° |
| H53 | N8 | C31 | H54 | 148.7° | 154.5° |
| C32 | C31 | C35 | H54 | 116.5° | 120.0° |
| C31 | C32 | C33 | C34 | 127.2° | 120.0° |
| C31 | C32 | C33 | H55 | 117.1° | 120.1° |
| C31 | C32 | C34 | H55 | 117.7° | 120.0° |
| C31 | C32 | C33 | H56 | 180.0° | 55.1° |
| C31 | C32 | C33 | H57 | 60.0° | 175.1° |
| C31 | C32 | C33 | H58 | 60.0° | 64.9° |
| C31 | C32 | C34 | H59 | 180.0° | 56.5° |
| C31 | C32 | C34 | H60 | 60.0° | 63.4° |
| C31 | C32 | C34 | H61 | 60.0° | 176.6° |
| C32 | C31 | C35 | O9 | 92.7° | 110.4° |
| C32 | C31 | N8 | C27 | 86.7° | 94.5° |
| C32 | C31 | C35 | N9 | 84.5° | 69.6° |
| C35 | C31 | C32 | C33 | 67.8° | 62.8° |
| C35 | C31 | C32 | C34 | 167.2° | 177.3° |
| C35 | C31 | C32 | H55 | 49.4° | 57.3° |
| C31 | C35 | O9 | N9 | 177.0° | 179.9° |
| C31 | C35 | N9 | C36 | 170.1° | 175.0° |
| C31 | C35 | N9 | H62 | 9.9° | 5.0° |
| C35 | C31 | N8 | C27 | 148.9° | 145.5° |
| H54 | C31 | C32 | C33 | 175.6° | 177.3° |
| H54 | C31 | C32 | C34 | 50.6° | 57.3° |
| H54 | C31 | C32 | H55 | 67.2° | 62.7° |
| H54 | C31 | C35 | O9 | 150.8° | 129.6° |
| H54 | C31 | N8 | C27 | 31.3° | 25.5° |
| H54 | C31 | C35 | N9 | 32.0° | 50.4° |
| C33 | C32 | C34 | H55 | 115.6° | 119.9° |
| C32 | C33 | H56 | H57 | 120.0° | 120.0° |
| C32 | C33 | H56 | H58 | 120.0° | 119.9° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C33 | C32 | C34 | H59 | 53.4° | 63.5° |
| C33 | C32 | C34 | H60 | 66.7° | 176.5° |
| C33 | C32 | C34 | H61 | 173.4° | 56.6° |
| C34 | C32 | C33 | H56 | 52.8° | 64.9° |
| C34 | C32 | C33 | H57 | 172.8° | 55.1° |
| C34 | C32 | C33 | H58 | 67.2° | 175.1° |
| C32 | C34 | H59 | H60 | 120.0° | 120.0° |
| C32 | C34 | H59 | H61 | 120.0° | 120.1° |
| C32 | C34 | H60 | H61 | 119.9° | 120.0° |
| H55 | C32 | C33 | H56 | 62.9° | 175.2° |
| H55 | C32 | C33 | H57 | 57.1° | 64.8° |
| H55 | C32 | C33 | H58 | 177.1° | 55.2° |
| H55 | C32 | C34 | H59 | 62.3° | 176.6° |
| H55 | C32 | C34 | H60 | 177.7° | 56.6° |
| H55 | C32 | C34 | H61 | 57.8° | 63.4° |
| H56 | C33 | H57 | H58 | 119.9° | 120.0° |
| H59 | C34 | H60 | H61 | 120.0° | 120.0° |
| O9 | C35 | N9 | C36 | 7.0° | 5.0° |
| O9 | C35 | N9 | H62 | 173.0° | 175.0° |
| C36 | N9 | H62 | C35 | 180.0° | 180.0° |
| N9 | C36 | C37 | C38 | 123.5° | 120.0° |
| N9 | C36 | C37 | H63 | 119.3° | 120.0° |
| N9 | C36 | C38 | H63 | 116.9° | 120.0° |
| N9 | C36 | C37 | O10 | 75.3° | 0.0° |
| N9 | C36 | C38 | C39 | 177.2° | 64.1° |
| N9 | C36 | C38 | H64 | 56.5° | 55.9° |
| N9 | C36 | C38 | H65 | 62.1° | 175.9° |
| N9 | C36 | C37 | N11 | 109.1° | 180.0° |
| H62 | N9 | C36 | C37 | 83.0° | 92.0° |
| H62 | N9 | C36 | C38 | 41.9° | 27.9° |
| H62 | N9 | C36 | H63 | 158.2° | 147.9° |
| C37 | C36 | C38 | H63 | 117.1° | 120.0° |
| C36 | C37 | O10 | N11 | 175.4° | 179.9° |
| C37 | C36 | C38 | C39 | 56.8° | 175.9° |
| C37 | C36 | C38 | H64 | 177.5° | 64.1° |
| C37 | C36 | C38 | H65 | 63.8° | 55.9° |
| C36 | C37 | N11 | C47 | 164.7° | 180.0° |
| C36 | C37 | N11 | H72 | 15.3° | 0.1° |
| C37 | C36 | N9 | C35 | 97.0° | 87.9° |
| C38 | C36 | C37 | O10 | 48.2° | 120.0° |
| C36 | C38 | C39 | H64 | 120.7° | 120.0° |
| C36 | C38 | C39 | H65 | 120.7° | 120.0° |
| C36 | C38 | H64 | H65 | 118.0° | 120.0° |
| C36 | C38 | C39 | C40 | 76.1° | 91.3° |
| C36 | C38 | C39 | C41 | 98.7° | 88.3° |
| C38 | C36 | N9 | C35 | 138.1° | 152.1° |
| C38 | C36 | C37 | N11 | 127.4° | 60.0° |
| H63 | C36 | C37 | O10 | 165.4° | 120.0° |
| H63 | C36 | C38 | C39 | 60.3° | 55.9° |
| H63 | C36 | C38 | H64 | 60.4° | 175.9° |
| H63 | C36 | C38 | H65 | 179.0° | 64.1° |
| H63 | C36 | N9 | C35 | 21.8° | 32.1° |
| H63 | C36 | C37 | N11 | 10.2° | 59.9° |
| O10 | C37 | N11 | C47 | 10.8° | 0.0° |
| O10 | C37 | N11 | H72 | 169.2° | 180.0° |
| C39 | C38 | H64 | H65 | 117.9° | 120.0° |
| C38 | C39 | C40 | C41 | 175.8° | 179.7° |
| C38 | C39 | C40 | N10 | 175.1° | 180.0° |
| C38 | C39 | C40 | H66 | 4.9° | 0.0° |
| C38 | C39 | C41 | C42 | 174.9° | 180.0° |
| C38 | C39 | C41 | C43 | 4.1° | 0.1° |
| H64 | C38 | C39 | C40 | 44.5° | 148.6° |
| H64 | C38 | C39 | C41 | 140.7° | 31.7° |
| H65 | C38 | C39 | C40 | 163.2° | 28.7° |
| H65 | C38 | C39 | C41 | 22.0° | 151.7° |
| C39 | C40 | N10 | H66 | 180.0° | 180.0° |
| C40 | C39 | C41 | C42 | 0.7° | 0.3° |
| C40 | C39 | C41 | C43 | 179.7° | 179.8° |
| C39 | C40 | N10 | C42 | 0.5° | 0.2° |
| C39 | C40 | N10 | H67 | 179.5° | 180.0° |
| C41 | C39 | C40 | N10 | 0.7° | 0.3° |
| C41 | C39 | C40 | H66 | 179.3° | 179.7° |
| C39 | C41 | C42 | C43 | 179.1° | 179.9° |
| C39 | C41 | C42 | N10 | 0.4° | 0.2° |
| C39 | C41 | C42 | C44 | 179.0° | 180.0° |
| C39 | C41 | C43 | C45 | 179.4° | 179.9° |
| C39 | C41 | C43 | H68 | 0.6° | 0.1° |
| C40 | N10 | C42 | C41 | 0.0° | 0.0° |
| C40 | N10 | C42 | H67 | 180.0° | 179.8° |
| C40 | N10 | C42 | C44 | 179.3° | 179.8° |
| H66 | C40 | N10 | C42 | 179.5° | 179.8° |
| H66 | C40 | N10 | H67 | 0.5° | 0.0° |
| C41 | C42 | N10 | C44 | 179.3° | 179.8° |
| C41 | C42 | N10 | H67 | 180.0° | 179.8° |
| C42 | C41 | C43 | C45 | 0.6° | 0.0° |
| C42 | C41 | C43 | H68 | 179.5° | 180.0° |
| C41 | C42 | C44 | C46 | 0.6° | 0.0° |
| C41 | C42 | C44 | H69 | 179.5° | 180.0° |
| C43 | C41 | C42 | N10 | 179.6° | 179.9° |
| C43 | C41 | C42 | C44 | 0.2° | 0.0° |
| C41 | C43 | C45 | H68 | 180.0° | 180.0° |
| C41 | C43 | C45 | C46 | 0.9° | 0.1° |
| C41 | C43 | C45 | H70 | 179.1° | 179.9° |
| N10 | C42 | C44 | C46 | 179.8° | 179.8° |
| N10 | C42 | C44 | H69 | 0.3° | 0.1° |
| H67 | N10 | C42 | C44 | 0.7° | 0.0° |
| C42 | C44 | C46 | H69 | 180.0° | 179.9° |
| C42 | C44 | C46 | C45 | 0.2° | 0.1° |
| C42 | C44 | C46 | H71 | 179.8° | 180.0° |
| C43 | C45 | C46 | C44 | 0.5° | 0.1° |
| C43 | C45 | C46 | H70 | 180.0° | 179.9° |
| C43 | C45 | C46 | H71 | 179.5° | 180.0° |
| H68 | C43 | C45 | C46 | 179.1° | 179.9° |
| H68 | C43 | C45 | H70 | 0.9° | 0.0° |
| C44 | C46 | C45 | H71 | 180.0° | 179.9° |
| C44 | C46 | C45 | H70 | 179.5° | 180.0° |
| H69 | C44 | C46 | C45 | 179.8° | 180.0° |
| H69 | C44 | C46 | H71 | 0.2° | 0.1° |
| H70 | C45 | C46 | H71 | 0.5° | 0.1° |
| C47 | N11 | H72 | C37 | 180.0° | 180.0° |
| N11 | C47 | C48 | C52 | 122.6° | 120.0° |
| N11 | C47 | C48 | H73 | 117.8° | 120.0° |
| N11 | C47 | C52 | H73 | 119.2° | 120.0° |
| N11 | C47 | C48 | C49 | 157.5° | 66.6° |
| N11 | C47 | C48 | H74 | 81.5° | 173.3° |
| N11 | C47 | C48 | H75 | 36.4° | 53.4° |
| N11 | C47 | C52 | O11 | 91.0° | 8.8° |
| N11 | C47 | C52 | N12 | 89.1° | 171.2° |
| H72 | N11 | C47 | C48 | 87.5° | 95.0° |
| H72 | N11 | C47 | C52 | 36.7° | 25.0° |
| H72 | N11 | C47 | H73 | 155.3° | 145.0° |
| C48 | C47 | C52 | H73 | 119.6° | 119.9° |
| C47 | C48 | C49 | H74 | 121.1° | 120.1° |
| C47 | C48 | C49 | H75 | 121.1° | 120.0° |
| C47 | C48 | H74 | H75 | 116.6° | 120.0° |
| C47 | C48 | C49 | C50 | 65.1° | 65.0° |
| C47 | C48 | C49 | C51 | 60.6° | 175.0° |
| C47 | C48 | C49 | H76 | 178.2° | 54.9° |
| C48 | C47 | C52 | O11 | 30.2° | 111.2° |
| C48 | C47 | N11 | C37 | 92.5° | 85.0° |
| C48 | C47 | C52 | N12 | 149.7° | 68.7° |
| C52 | C47 | C48 | C49 | 80.0° | 173.4° |
| C52 | C47 | C48 | H74 | 41.1° | 53.3° |
| C52 | C47 | C48 | H75 | 159.0° | 66.6° |
| C47 | C52 | O11 | N12 | 179.9° | 180.0° |
| C47 | C52 | N12 | C53 | 176.6° | 174.9° |
| C47 | C52 | N12 | H83 | 3.4° | 5.0° |
| C52 | C47 | N11 | C37 | 143.3° | 155.0° |
| H73 | C47 | C48 | C49 | 39.6° | 53.5° |
| H73 | C47 | C48 | H74 | 160.7° | 66.6° |
| H73 | C47 | C48 | H75 | 81.4° | 173.4° |
| H73 | C47 | C52 | O11 | 149.8° | 128.8° |
| H73 | C47 | N11 | C37 | 24.7° | 35.0° |
| H73 | C47 | C52 | N12 | 30.1° | 51.2° |
| C49 | C48 | H74 | H75 | 116.6° | 119.9° |
| C48 | C49 | C50 | C51 | 127.3° | 120.0° |
| C48 | C49 | C50 | H76 | 116.6° | 120.0° |
| C48 | C49 | C51 | H76 | 117.5° | 120.0° |
| C48 | C49 | C50 | H77 | 180.0° | 60.0° |
| C48 | C49 | C50 | H78 | 60.0° | 180.0° |
| C48 | C49 | C50 | H79 | 60.0° | 60.0° |
| C48 | C49 | C51 | H80 | 180.0° | 60.0° |
| C48 | C49 | C51 | H81 | 60.0° | 179.9° |
| C48 | C49 | C51 | H82 | 60.0° | 60.0° |
| H74 | C48 | C49 | C50 | 173.8° | 55.1° |
| H74 | C48 | C49 | C51 | 60.4° | 64.9° |
| H74 | C48 | C49 | H76 | 57.1° | 175.0° |
| H75 | C48 | C49 | C50 | 55.9° | 175.0° |
| H75 | C48 | C49 | C51 | 178.3° | 55.0° |
| H75 | C48 | C49 | H76 | 60.7° | 65.0° |
| C50 | C49 | C51 | H76 | 116.1° | 120.0° |
| C49 | C50 | H77 | H78 | 120.0° | 120.0° |
| C49 | C50 | H77 | H79 | 120.0° | 120.0° |
| C49 | C50 | H78 | H79 | 120.0° | 120.0° |
| C50 | C49 | C51 | H80 | 53.6° | 180.0° |
| C50 | C49 | C51 | H81 | 66.4° | 60.0° |
| C50 | C49 | C51 | H82 | 173.6° | 60.0° |
| C51 | C49 | C50 | H77 | 52.7° | 59.9° |
| C51 | C49 | C50 | H78 | 172.7° | 60.0° |
| C51 | C49 | C50 | H79 | 67.3° | 179.9° |
| C49 | C51 | H80 | H81 | 120.0° | 120.0° |
| C49 | C51 | H80 | H82 | 120.0° | 120.1° |
| C49 | C51 | H81 | H82 | 120.0° | 120.0° |
| H76 | C49 | C50 | H77 | 63.4° | 180.0° |
| H76 | C49 | C50 | H78 | 56.6° | 60.0° |
| H76 | C49 | C50 | H79 | 176.6° | 60.0° |
| H76 | C49 | C51 | H80 | 62.5° | 60.0° |
| H76 | C49 | C51 | H81 | 177.5° | 60.1° |
| H76 | C49 | C51 | H82 | 57.5° | 180.0° |
| H77 | C50 | H78 | H79 | 120.0° | 120.0° |
| H80 | C51 | H81 | H82 | 120.0° | 120.0° |
| O11 | C52 | N12 | C53 | 3.4° | 5.1° |
| O11 | C52 | N12 | H83 | 176.5° | 174.9° |
| C53 | N12 | H83 | C52 | 180.0° | 179.9° |
| N12 | C53 | C54 | C55 | 123.0° | 120.0° |
| N12 | C53 | C54 | H84 | 119.7° | 120.0° |
| N12 | C53 | C55 | H84 | 117.9° | 120.0° |
| N12 | C53 | C54 | O12 | 32.2° | 0.0° |
| N12 | C53 | C55 | C56 | 72.2° | 63.8° |
| N12 | C53 | C55 | H85 | 49.0° | 56.2° |
| N12 | C53 | C55 | H86 | 166.7° | 176.2° |
| N12 | C53 | C54 | N14 | 150.6° | 180.0° |
| H83 | N12 | C53 | C54 | 73.0° | 91.3° |
| H83 | N12 | C53 | C55 | 50.6° | 28.7° |
| H83 | N12 | C53 | H84 | 167.9° | 148.7° |
| C54 | C53 | C55 | H84 | 117.4° | 120.0° |
| C53 | C54 | O12 | N14 | 176.9° | 179.9° |
| C54 | C53 | C55 | C56 | 163.1° | 176.2° |
| C54 | C53 | C55 | H85 | 75.7° | 63.9° |
| C54 | C53 | C55 | H86 | 41.9° | 56.2° |
| C53 | C54 | N14 | C64 | 169.6° | 175.0° |
| C53 | C54 | N14 | H93 | 10.4° | 4.9° |
| C54 | C53 | N12 | C52 | 107.1° | 88.6° |
| C55 | C53 | C54 | O12 | 90.7° | 120.0° |
| C53 | C55 | C56 | H85 | 121.2° | 120.0° |
| C53 | C55 | C56 | H86 | 121.2° | 120.0° |
| C53 | C55 | H85 | H86 | 116.3° | 120.0° |
| C53 | C55 | C56 | C57 | 20.1° | 92.5° |
| C53 | C55 | C56 | C58 | 160.7° | 87.2° |
| C55 | C53 | N12 | C52 | 129.4° | 151.3° |
| C55 | C53 | C54 | N14 | 86.4° | 59.9° |
| H84 | C53 | C54 | O12 | 151.9° | 120.0° |
| H84 | C53 | C55 | C56 | 45.7° | 56.2° |
| H84 | C53 | C55 | H85 | 166.9° | 176.1° |
| H84 | C53 | C55 | H86 | 75.4° | 63.8° |
| H84 | C53 | N12 | C52 | 12.1° | 31.3° |
| H84 | C53 | C54 | N14 | 30.9° | 60.1° |
| O12 | C54 | N14 | C64 | 7.5° | 5.0° |
| O12 | C54 | N14 | H93 | 172.5° | 175.0° |
| C56 | C55 | H85 | H86 | 116.3° | 120.0° |
| C55 | C56 | C57 | C58 | 179.4° | 179.8° |
| C55 | C56 | C57 | N13 | 179.7° | 180.0° |
| C55 | C56 | C57 | H87 | 0.3° | 0.0° |
| C55 | C56 | C58 | C59 | 179.7° | 180.0° |
| C55 | C56 | C58 | C60 | 0.5° | 0.1° |
| H85 | C55 | C56 | C57 | 141.2° | 147.4° |
| H85 | C55 | C56 | C58 | 39.5° | 32.8° |
| H86 | C55 | C56 | C57 | 101.1° | 27.5° |
| H86 | C55 | C56 | C58 | 78.2° | 152.8° |
| C56 | C57 | N13 | H87 | 180.0° | 180.0° |
| C57 | C56 | C58 | C59 | 1.0° | 0.3° |
| C57 | C56 | C58 | C60 | 179.8° | 179.8° |
| C56 | C57 | N13 | C59 | 0.6° | 0.2° |
| C56 | C57 | N13 | H88 | 179.5° | 179.9° |
| C58 | C56 | C57 | N13 | 0.9° | 0.3° |
| C58 | C56 | C57 | H87 | 179.1° | 179.8° |
| C56 | C58 | C59 | C60 | 179.4° | 179.9° |
| C56 | C58 | C59 | N13 | 0.6° | 0.2° |
| C56 | C58 | C59 | C61 | 179.4° | 180.0° |
| C56 | C58 | C60 | C62 | 179.0° | 180.0° |
| C56 | C58 | C60 | H89 | 1.0° | 0.1° |
| C57 | N13 | C59 | C58 | 0.1° | 0.0° |
| C57 | N13 | C59 | H88 | 180.0° | 179.8° |
| C57 | N13 | C59 | C61 | 179.9° | 179.8° |
| H87 | C57 | N13 | C59 | 179.4° | 179.9° |
| H87 | C57 | N13 | H88 | 0.5° | 0.1° |
| C58 | C59 | N13 | C61 | 180.0° | 179.8° |
| C58 | C59 | N13 | H88 | 179.9° | 179.8° |
| C59 | C58 | C60 | C62 | 0.1° | 0.1° |
| C59 | C58 | C60 | H89 | 179.9° | 180.0° |
| C58 | C59 | C61 | C63 | 0.1° | 0.0° |
| C58 | C59 | C61 | H90 | 179.9° | 180.0° |
| C60 | C58 | C59 | N13 | 180.0° | 179.9° |
| C60 | C58 | C59 | C61 | 0.0° | 0.1° |
| C58 | C60 | C62 | H89 | 180.0° | 180.0° |
| C58 | C60 | C62 | C63 | 0.1° | 0.0° |
| C58 | C60 | C62 | H91 | 179.9° | 180.0° |
| N13 | C59 | C61 | C63 | 179.9° | 179.8° |
| N13 | C59 | C61 | H90 | 0.1° | 0.2° |
| H88 | N13 | C59 | C61 | 0.1° | 0.0° |
| C59 | C61 | C63 | H90 | 180.0° | 180.0° |
| C59 | C61 | C63 | C62 | 0.1° | 0.1° |
| C59 | C61 | C63 | H92 | 179.9° | 180.0° |
| C60 | C62 | C63 | C61 | 0.0° | 0.1° |
| C60 | C62 | C63 | H91 | 180.0° | 179.9° |
| C60 | C62 | C63 | H92 | 180.0° | 180.0° |
| H89 | C60 | C62 | C63 | 179.9° | 179.9° |
| H89 | C60 | C62 | H91 | 0.1° | 0.0° |
| C61 | C63 | C62 | H92 | 180.0° | 179.9° |
| C61 | C63 | C62 | H91 | 180.0° | 180.0° |
| H90 | C61 | C63 | C62 | 179.9° | 179.9° |
| H90 | C61 | C63 | H92 | 0.1° | 0.0° |
| H91 | C62 | C63 | H92 | 0.0° | 0.1° |
| C64 | N14 | H93 | C54 | 180.0° | 179.9° |
| N14 | C64 | C65 | C69 | 123.0° | 120.0° |
| N14 | C64 | C65 | H94 | 118.0° | 120.1° |
| N14 | C64 | C69 | H94 | 119.1° | 120.0° |
| N14 | C64 | C65 | C66 | 51.8° | 171.2° |
| N14 | C64 | C65 | H95 | 172.6° | 68.7° |
| N14 | C64 | C65 | H96 | 68.9° | 51.3° |
| N14 | C64 | C69 | O13 | 91.2° | 13.9° |
| N14 | C64 | C69 | N15 | 89.1° | 166.1° |
| H93 | N14 | C64 | C65 | 46.7° | 91.1° |
| H93 | N14 | C64 | C69 | 77.4° | 28.9° |
| H93 | N14 | C64 | H94 | 164.1° | 148.9° |
| C65 | C64 | C69 | H94 | 118.9° | 120.0° |
| C64 | C65 | C66 | H95 | 120.7° | 120.0° |
| C64 | C65 | C66 | H96 | 120.8° | 119.9° |
| C64 | C65 | H95 | H96 | 117.7° | 119.9° |
| C64 | C65 | C66 | C67 | 52.2° | 176.9° |
| C64 | C65 | C66 | C68 | 174.4° | 63.0° |
| C64 | C65 | C66 | H97 | 67.8° | 56.9° |
| C65 | C64 | C69 | O13 | 30.7° | 106.1° |
| C65 | C64 | N14 | C54 | 133.2° | 89.0° |
| C65 | C64 | C69 | N15 | 149.0° | 73.8° |
| C69 | C64 | C65 | C66 | 174.8° | 68.8° |
| C69 | C64 | C65 | H95 | 64.4° | 51.3° |
| C69 | C64 | C65 | H96 | 54.1° | 171.3° |
| C64 | C69 | O13 | N15 | 179.7° | 180.0° |
| C64 | C69 | N15 | C70 | 175.4° | 175.7° |
| C64 | C69 | N15 | H104 | 4.5° | 4.3° |
| C69 | C64 | N14 | C54 | 102.7° | 151.0° |
| H94 | C64 | C65 | C66 | 66.2° | 51.2° |
| H94 | C64 | C65 | H95 | 54.6° | 171.2° |
| H94 | C64 | C65 | H96 | 173.1° | 68.8° |
| H94 | C64 | C69 | O13 | 149.6° | 133.9° |
| H94 | C64 | N14 | C54 | 15.9° | 31.1° |
| H94 | C64 | C69 | N15 | 30.1° | 46.1° |
| C66 | C65 | H95 | H96 | 117.7° | 120.0° |
| C65 | C66 | C67 | C68 | 122.1° | 120.1° |
| C65 | C66 | C67 | H97 | 120.0° | 119.9° |
| C65 | C66 | C68 | H97 | 117.8° | 119.9° |
| C65 | C66 | C67 | H98 | 180.0° | 60.1° |
| C65 | C66 | C67 | H99 | 60.0° | 180.0° |
| C65 | C66 | C67 | H100 | 60.0° | 60.0° |
| C65 | C66 | C68 | H101 | 180.0° | 65.2° |
| C65 | C66 | C68 | H102 | 60.0° | 174.8° |
| C65 | C66 | C68 | H103 | 60.0° | 54.8° |
| H95 | C65 | C66 | C67 | 68.5° | 56.9° |
| H95 | C65 | C66 | C68 | 53.7° | 176.9° |
| H95 | C65 | C66 | H97 | 171.5° | 63.1° |
| H96 | C65 | C66 | C67 | 173.0° | 63.2° |
| H96 | C65 | C66 | C68 | 64.8° | 56.9° |
| H96 | C65 | C66 | H97 | 53.0° | 176.9° |
| C67 | C66 | C68 | H97 | 117.9° | 120.0° |
| C66 | C67 | H98 | H99 | 120.0° | 119.9° |
| C66 | C67 | H98 | H100 | 120.0° | 120.1° |
| C66 | C67 | H99 | H100 | 120.0° | 120.1° |
| C67 | C66 | C68 | H101 | 55.7° | 174.8° |
| C67 | C66 | C68 | H102 | 64.3° | 54.8° |
| C67 | C66 | C68 | H103 | 175.7° | 65.3° |
| C68 | C66 | C67 | H98 | 57.9° | 60.0° |
| C68 | C66 | C67 | H99 | 177.9° | 60.0° |
| C68 | C66 | C67 | H100 | 62.1° | 180.0° |
| C66 | C68 | H101 | H102 | 120.0° | 120.0° |
| C66 | C68 | H101 | H103 | 120.0° | 120.0° |
| C66 | C68 | H102 | H103 | 120.0° | 120.0° |
| H97 | C66 | C67 | H98 | 60.0° | 180.0° |
| H97 | C66 | C67 | H99 | 60.0° | 60.1° |
| H97 | C66 | C67 | H100 | 180.0° | 59.9° |
| H97 | C66 | C68 | H101 | 62.2° | 54.8° |
| H97 | C66 | C68 | H102 | 177.8° | 65.3° |
| H97 | C66 | C68 | H103 | 57.8° | 174.7° |
| H98 | C67 | H99 | H100 | 120.0° | 120.0° |
| H101 | C68 | H102 | H103 | 120.0° | 120.0° |
| O13 | C69 | N15 | C70 | 4.3° | 4.3° |
| O13 | C69 | N15 | H104 | 175.7° | 175.7° |
| C70 | N15 | H104 | C69 | 180.0° | 180.0° |
| N15 | C70 | C71 | C72 | 122.1° | 120.1° |
| N15 | C70 | C71 | H105 | 119.8° | 120.0° |
| N15 | C70 | C72 | H105 | 118.4° | 120.0° |
| N15 | C70 | C71 | O14 | 42.1° | 0.1° |
| N15 | C70 | C72 | C73 | 60.7° | 66.0° |
| N15 | C70 | C72 | H106 | 60.2° | 54.1° |
| N15 | C70 | C72 | H107 | 178.4° | 174.0° |
| N15 | C70 | C71 | N17 | 140.4° | 180.0° |
| H104 | N15 | C70 | C71 | 33.7° | 27.4° |
| H104 | N15 | C70 | C72 | 89.2° | 92.7° |
| H104 | N15 | C70 | H105 | 153.0° | 147.3° |
| C71 | C70 | C72 | H105 | 118.1° | 119.9° |
| C70 | C71 | O14 | N17 | 177.4° | 179.9° |
| C71 | C70 | C72 | C73 | 175.8° | 174.0° |
| C71 | C70 | C72 | H106 | 63.3° | 66.0° |
| C71 | C70 | C72 | H107 | 54.9° | 53.9° |
| C70 | C71 | N17 | C81 | 175.0° | 180.0° |
| C70 | C71 | N17 | H114 | 5.0° | 0.1° |
| C71 | C70 | N15 | C69 | 146.3° | 152.7° |
| C72 | C70 | C71 | O14 | 80.0° | 120.0° |
| C70 | C72 | C73 | H106 | 120.9° | 120.0° |
| C70 | C72 | C73 | H107 | 120.9° | 120.0° |
| C70 | C72 | H106 | H107 | 117.1° | 120.0° |
| C70 | C72 | C73 | C74 | 87.4° | 79.6° |
| C70 | C72 | C73 | C75 | 88.6° | 100.0° |
| C72 | C70 | N15 | C69 | 90.8° | 87.3° |
| C72 | C70 | C71 | N17 | 97.5° | 59.9° |
| H105 | C70 | C71 | O14 | 161.9° | 120.1° |
| H105 | C70 | C72 | C73 | 57.7° | 54.0° |
| H105 | C70 | C72 | H106 | 178.6° | 174.1° |
| H105 | C70 | C72 | H107 | 63.2° | 66.0° |
| H105 | C70 | N15 | C69 | 27.0° | 32.7° |
| H105 | C70 | C71 | N17 | 20.6° | 60.0° |
| O14 | C71 | N17 | C81 | 2.5° | 0.1° |
| O14 | C71 | N17 | H114 | 177.5° | 180.0° |
| C73 | C72 | H106 | H107 | 117.2° | 120.0° |
| C72 | C73 | C74 | C75 | 176.7° | 179.7° |
| C72 | C73 | C74 | N16 | 177.2° | 180.0° |
| C72 | C73 | C74 | H108 | 2.8° | 0.1° |
| C72 | C73 | C75 | C76 | 176.5° | 180.0° |
| C72 | C73 | C75 | C77 | 2.2° | 0.2° |
| H106 | C72 | C73 | C74 | 151.8° | 160.4° |
| H106 | C72 | C73 | C75 | 32.2° | 20.0° |
| H107 | C72 | C73 | C74 | 33.5° | 40.4° |
| H107 | C72 | C73 | C75 | 150.5° | 140.0° |
| C73 | C74 | N16 | H108 | 180.0° | 179.9° |
| C74 | C73 | C75 | C76 | 0.1° | 0.3° |
| C74 | C73 | C75 | C77 | 178.8° | 179.8° |
| C73 | C74 | N16 | C76 | 0.9° | 0.2° |
| C73 | C74 | N16 | H109 | 179.0° | 179.9° |
| C75 | C73 | C74 | N16 | 0.5° | 0.3° |
| C75 | C73 | C74 | H108 | 179.5° | 179.8° |
| C73 | C75 | C76 | C77 | 179.0° | 179.9° |
| C73 | C75 | C76 | N16 | 0.6° | 0.2° |
| C73 | C75 | C76 | C78 | 179.1° | 179.9° |
| C73 | C75 | C77 | C79 | 178.1° | 179.9° |
| C73 | C75 | C77 | H110 | 1.9° | 0.2° |
| C74 | N16 | C76 | C75 | 0.9° | 0.0° |
| C74 | N16 | C76 | H109 | 180.0° | 179.8° |
| C74 | N16 | C76 | C78 | 178.7° | 179.9° |
| H108 | C74 | N16 | C76 | 179.1° | 179.9° |
| H108 | C74 | N16 | H109 | 1.0° | 0.1° |
| C75 | C76 | N16 | C78 | 179.7° | 179.9° |
| C75 | C76 | N16 | H109 | 179.0° | 179.7° |
| C76 | C75 | C77 | C79 | 0.6° | 0.1° |
| C76 | C75 | C77 | H110 | 179.4° | 180.0° |
| C75 | C76 | C78 | C80 | 0.5° | 0.0° |
| C75 | C76 | C78 | H111 | 179.5° | 180.0° |
| C77 | C75 | C76 | N16 | 179.6° | 179.9° |
| C77 | C75 | C76 | C78 | 0.1° | 0.1° |
| C75 | C77 | C79 | H110 | 180.0° | 179.9° |
| C75 | C77 | C79 | C80 | 0.9° | 0.0° |
| C75 | C77 | C79 | H112 | 179.1° | 179.9° |
| N16 | C76 | C78 | C80 | 179.1° | 179.8° |
| N16 | C76 | C78 | H111 | 0.9° | 0.1° |
| H109 | N16 | C76 | C78 | 1.3° | 0.1° |
| C76 | C78 | C80 | H111 | 180.0° | 179.9° |
| C76 | C78 | C80 | C79 | 0.2° | 0.1° |
| C76 | C78 | C80 | H113 | 179.8° | 179.9° |
| C77 | C79 | C80 | C78 | 0.5° | 0.1° |
| C77 | C79 | C80 | H112 | 180.0° | 179.9° |
| C77 | C79 | C80 | H113 | 179.5° | 179.9° |
| H110 | C77 | C79 | C80 | 179.1° | 179.9° |
| H110 | C77 | C79 | H112 | 0.9° | 0.0° |
| C78 | C80 | C79 | H113 | 180.0° | 180.0° |
| C78 | C80 | C79 | H112 | 179.5° | 180.0° |
| H111 | C78 | C80 | C79 | 179.8° | 180.0° |
| H111 | C78 | C80 | H113 | 0.2° | 0.0° |
| H112 | C79 | C80 | H113 | 0.5° | 0.0° |
| C81 | N17 | H114 | C71 | 180.0° | 179.9° |
| N17 | C81 | C82 | C86 | 123.7° | 120.1° |
| N17 | C81 | C82 | H115 | 118.6° | 120.0° |
| N17 | C81 | C86 | H115 | 119.5° | 119.9° |
| N17 | C81 | C82 | C83 | 82.2° | 64.9° |
| N17 | C81 | C82 | H116 | 156.9° | 175.0° |
| N17 | C81 | C82 | H117 | 38.6° | 55.0° |
| N17 | C81 | C86 | O15 | 75.6° | 0.0° |
| N17 | C81 | C86 | N18 | 107.7° | 180.0° |
| H114 | N17 | C81 | C82 | 52.2° | 95.0° |
| H114 | N17 | C81 | C86 | 70.9° | 25.0° |
| H114 | N17 | C81 | H115 | 170.2° | 145.0° |
| C82 | C81 | C86 | H115 | 117.7° | 120.0° |
| C81 | C82 | C83 | H116 | 120.8° | 120.0° |
| C81 | C82 | C83 | H117 | 120.8° | 119.9° |
| C81 | C82 | H116 | H117 | 117.4° | 120.0° |
| C81 | C82 | C83 | C84 | 174.4° | 65.1° |
| C81 | C82 | C83 | C85 | 63.6° | 174.9° |
| C81 | C82 | C83 | H118 | 56.6° | 54.9° |
| C82 | C81 | C86 | O15 | 47.2° | 120.1° |
| C82 | C81 | N17 | C71 | 127.8° | 85.0° |
| C82 | C81 | C86 | N18 | 129.5° | 59.9° |
| C86 | C81 | C82 | C83 | 154.1° | 175.0° |
| C86 | C81 | C82 | H116 | 33.2° | 55.0° |
| C86 | C81 | C82 | H117 | 85.1° | 65.1° |
| C81 | C86 | O15 | N18 | 176.5° | 179.9° |
| C81 | C86 | N18 | C87 | 167.1° | 180.0° |
| C81 | C86 | N18 | H125 | 12.9° | 0.1° |
| C86 | C81 | N17 | C71 | 109.0° | 154.9° |
| H115 | C81 | C82 | C83 | 36.4° | 55.0° |
| H115 | C81 | C82 | H116 | 84.5° | 65.0° |
| H115 | C81 | C82 | H117 | 157.2° | 174.9° |
| H115 | C81 | C86 | O15 | 164.9° | 120.0° |
| H115 | C81 | N17 | C71 | 9.8° | 35.0° |
| H115 | C81 | C86 | N18 | 11.7° | 60.1° |
| C83 | C82 | H116 | H117 | 117.4° | 120.0° |
| C82 | C83 | C84 | C85 | 124.5° | 120.0° |
| C82 | C83 | C84 | H118 | 117.7° | 120.0° |
| C82 | C83 | C85 | H118 | 120.1° | 120.0° |
| C82 | C83 | C84 | H119 | 180.0° | 180.0° |
| C82 | C83 | C84 | H120 | 60.0° | 60.1° |
| C82 | C83 | C84 | H121 | 60.0° | 59.9° |
| C82 | C83 | C85 | H122 | 180.0° | 60.0° |
| C82 | C83 | C85 | H123 | 60.0° | 179.9° |
| C82 | C83 | C85 | H124 | 60.0° | 60.0° |
| H116 | C82 | C83 | C84 | 53.5° | 54.9° |
| H116 | C82 | C83 | C85 | 175.5° | 65.0° |
| H116 | C82 | C83 | H118 | 64.3° | 174.9° |
| H117 | C82 | C83 | C84 | 64.8° | 175.0° |
| H117 | C82 | C83 | C85 | 57.2° | 55.0° |
| H117 | C82 | C83 | H118 | 177.4° | 65.0° |
| C84 | C83 | C85 | H118 | 117.8° | 120.0° |
| C83 | C84 | H119 | H120 | 120.0° | 119.9° |
| C83 | C84 | H119 | H121 | 120.0° | 120.0° |
| C83 | C84 | H120 | H121 | 120.0° | 120.0° |
| C84 | C83 | C85 | H122 | 57.9° | 180.0° |
| C84 | C83 | C85 | H123 | 62.1° | 60.0° |
| C84 | C83 | C85 | H124 | 177.9° | 60.0° |
| C85 | C83 | C84 | H119 | 55.5° | 60.0° |
| C85 | C83 | C84 | H120 | 175.5° | 180.0° |
| C85 | C83 | C84 | H121 | 64.5° | 60.0° |
| C83 | C85 | H122 | H123 | 120.0° | 120.0° |
| C83 | C85 | H122 | H124 | 120.0° | 120.0° |
| C83 | C85 | H123 | H124 | 120.0° | 119.9° |
| H118 | C83 | C84 | H119 | 62.2° | 60.0° |
| H118 | C83 | C84 | H120 | 57.8° | 60.0° |
| H118 | C83 | C84 | H121 | 177.7° | 179.9° |
| H118 | C83 | C85 | H122 | 59.9° | 60.0° |
| H118 | C83 | C85 | H123 | 179.9° | 60.0° |
| H118 | C83 | C85 | H124 | 60.1° | 180.0° |
| H119 | C84 | H120 | H121 | 120.0° | 120.1° |
| H122 | C85 | H123 | H124 | 120.0° | 120.1° |
| O15 | C86 | N18 | C87 | 9.5° | 0.0° |
| O15 | C86 | N18 | H125 | 170.5° | 179.9° |
| C87 | N18 | H125 | C86 | 180.0° | 179.9° |
| N18 | C87 | C88 | H126 | 120.8° | 120.0° |
| N18 | C87 | C88 | H127 | 120.8° | 120.0° |
| N18 | C87 | H126 | H127 | 117.5° | 119.9° |
| N18 | C87 | C88 | O16 | 16.1° | 0.0° |
| N18 | C87 | C88 | N19 | 166.0° | 180.0° |
| H125 | N18 | C87 | C88 | 77.8° | 0.1° |
| H125 | N18 | C87 | H126 | 161.5° | 120.0° |
| H125 | N18 | C87 | H127 | 43.0° | 120.1° |
| C88 | C87 | H126 | H127 | 117.5° | 120.0° |
| C87 | C88 | O16 | N19 | 177.8° | 180.0° |
| C87 | C88 | N19 | C89 | 175.9° | 180.0° |
| C87 | C88 | N19 | H130 | 4.2° | 0.1° |
| C88 | C87 | N18 | C86 | 102.2° | 180.0° |
| H126 | C87 | C88 | O16 | 136.9° | 120.0° |
| H126 | C87 | N18 | C86 | 18.5° | 59.9° |
| H126 | C87 | C88 | N19 | 45.2° | 60.0° |
| H127 | C87 | C88 | O16 | 104.7° | 120.0° |
| H127 | C87 | N18 | C86 | 137.0° | 60.0° |
| H127 | C87 | C88 | N19 | 73.2° | 60.0° |
| O16 | C88 | N19 | C89 | 2.1° | 0.0° |
| O16 | C88 | N19 | H130 | 177.9° | 179.9° |
| N19 | C89 | C90 | H128 | 120.2° | 119.9° |
| N19 | C89 | C90 | H129 | 120.2° | 120.0° |
| N19 | C89 | H128 | H129 | 119.4° | 120.1° |
| C89 | N19 | H130 | C88 | 180.0° | 179.9° |
| N19 | C89 | C90 | O17 | 61.0° | 65.0° |
| N19 | C89 | C90 | H131 | 178.8° | 175.0° |
| N19 | C89 | C90 | H132 | 59.2° | 55.0° |
| C90 | C89 | H128 | H129 | 119.4° | 120.0° |
| C90 | C89 | N19 | H130 | 6.2° | 0.1° |
| C89 | C90 | O17 | H131 | 120.2° | 120.1° |
| C89 | C90 | O17 | H132 | 120.2° | 120.0° |
| C89 | C90 | H131 | H132 | 119.4° | 120.0° |
| C89 | C90 | O17 | H133 | 180.0° | 180.0° |
| C90 | C89 | N19 | C88 | 173.8° | 180.0° |
| H128 | C89 | N19 | H130 | 114.0° | 120.0° |
| H128 | C89 | C90 | O17 | 59.2° | 55.0° |
| H128 | C89 | C90 | H131 | 61.0° | 65.1° |
| H128 | C89 | C90 | H132 | 179.4° | 174.9° |
| H128 | C89 | N19 | C88 | 66.1° | 60.1° |
| H129 | C89 | N19 | H130 | 126.4° | 119.9° |
| H129 | C89 | C90 | O17 | 178.8° | 175.0° |
| H129 | C89 | C90 | H131 | 58.6° | 55.0° |
| H129 | C89 | C90 | H132 | 61.0° | 65.0° |
| H129 | C89 | N19 | C88 | 53.6° | 60.0° |
| O17 | C90 | H131 | H132 | 119.3° | 119.9° |
| H131 | C90 | O17 | H133 | 59.8° | 60.0° |
| H132 | C90 | O17 | H133 | 59.8° | 60.0° |
