PRD_002441
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C6 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | doub | 1.33Å | 1.40Å | |
| N1 | C7 | sing | 1.40Å | 1.42Å | |
| C7 | C5 | sing | 1.48Å | 1.40Å | |
| C5 | O2 | doub | 1.22Å | 1.24Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C10 | sing | 1.46Å | 1.45Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| N3 | C14 | sing | 1.46Å | 1.47Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.51Å | 1.53Å | |
| 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 | O4 | doub | 1.21Å | 1.23Å | |
| N4 | C17 | sing | 1.46Å | 1.45Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C21 | sing | 1.51Å | 1.52Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.23Å | |
| N5 | C22 | sing | 1.46Å | 1.45Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C26 | sing | 1.51Å | 1.53Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | O6 | doub | 1.21Å | 1.23Å | |
| C29 | C27 | sing | 1.51Å | 1.51Å | |
| C29 | O8 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N6 | C28 | sing | 1.47Å | 1.46Å | |
| C28 | C30 | sing | 1.51Å | 1.52Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | O7 | sing | 1.36Å | 1.36Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.08Å | 1.08Å | |
| C32 | H48 | sing | 1.08Å | 1.08Å | |
| C34 | H49 | sing | 1.08Å | 1.08Å | |
| C35 | H50 | sing | 1.08Å | 1.08Å | |
| N6 | H51 | sing | 0.97Å | 1.00Å | |
| O7 | H52 | sing | 0.97Å | 0.95Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| N7 | C36 | sing | 1.47Å | 1.45Å | |
| N7 | H54 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C40 | sing | 1.51Å | 1.52Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | doub | 1.21Å | 1.23Å | |
| C42 | C44 | sing | 1.51Å | 1.50Å | |
| C44 | C45 | sing | 1.51Å | 1.50Å | |
| C44 | C43 | doub | 1.33Å | 1.40Å | |
| N8 | C43 | sing | 1.40Å | 1.41Å | |
| C43 | C41 | sing | 1.48Å | 1.40Å | |
| C41 | O10 | doub | 1.22Å | 1.24Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| N8 | H66 | sing | 0.97Å | 1.00Å | |
| C45 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| N9 | C46 | sing | 1.47Å | 1.46Å | |
| N9 | H70 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C51 | sing | 1.51Å | 1.53Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | N10 | sing | 1.46Å | 1.45Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| C49 | H77 | sing | 1.09Å | 1.10Å | |
| N10 | C50 | sing | 1.37Å | 1.33Å | |
| N10 | H78 | sing | 0.97Å | 1.00Å | |
| C50 | N11 | sing | 1.33Å | 1.32Å | |
| C50 | N12 | doub | 1.33Å | 1.32Å | |
| N11 | H79 | sing | 0.97Å | 1.00Å | |
| N11 | H80 | sing | 0.97Å | 1.00Å | |
| N12 | H81 | sing | 0.97Å | 1.00Å | |
| N12 | H82 | sing | 0.97Å | 1.00Å | |
| C51 | O11 | doub | 1.21Å | 1.23Å | |
| N13 | C52 | sing | 1.46Å | 1.45Å | |
| N13 | H83 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C52 | C54 | sing | 1.53Å | 1.54Å | |
| C52 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | O12 | doub | 1.21Å | 1.23Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C54 | C56 | sing | 1.53Å | 1.52Å | |
| C54 | H85 | sing | 1.09Å | 1.10Å | |
| C55 | H86 | sing | 1.09Å | 1.10Å | |
| C55 | H87 | sing | 1.09Å | 1.10Å | |
| C55 | H88 | sing | 1.09Å | 1.10Å | |
| C56 | H89 | sing | 1.09Å | 1.10Å | |
| C56 | H90 | sing | 1.09Å | 1.10Å | |
| C56 | H91 | sing | 1.09Å | 1.10Å | |
| N14 | C57 | sing | 1.46Å | 1.45Å | |
| N14 | H92 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | C61 | sing | 1.51Å | 1.53Å | |
| C57 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | C60 | sing | 1.53Å | 1.52Å | |
| C58 | H94 | sing | 1.09Å | 1.10Å | |
| C59 | H95 | sing | 1.09Å | 1.10Å | |
| C59 | H96 | sing | 1.09Å | 1.10Å | |
| C59 | H97 | sing | 1.09Å | 1.10Å | |
| C60 | H98 | sing | 1.09Å | 1.10Å | |
| C60 | H99 | sing | 1.09Å | 1.10Å | |
| C60 | H100 | sing | 1.09Å | 1.10Å | |
| C61 | O13 | doub | 1.21Å | 1.23Å | |
| O14 | C63 | doub | 1.22Å | 1.24Å | |
| C63 | C62 | sing | 1.48Å | 1.41Å | |
| C67 | C65 | sing | 1.53Å | 1.49Å | |
| C65 | C64 | sing | 1.51Å | 1.51Å | |
| C62 | C64 | doub | 1.34Å | 1.38Å | |
| C62 | N15 | sing | 1.40Å | 1.42Å | |
| C64 | C66 | sing | 1.51Å | 1.50Å | |
| N15 | H101 | sing | 0.97Å | 1.00Å | |
| C65 | H102 | sing | 1.09Å | 1.10Å | |
| C65 | H103 | sing | 1.09Å | 1.10Å | |
| C66 | H104 | sing | 1.09Å | 1.10Å | |
| C66 | H105 | sing | 1.09Å | 1.10Å | |
| C66 | H106 | sing | 1.09Å | 1.10Å | |
| C67 | H107 | sing | 1.09Å | 1.10Å | |
| C67 | H108 | sing | 1.09Å | 1.10Å | |
| C67 | H109 | sing | 1.09Å | 1.10Å | |
| N16 | C68 | sing | 1.47Å | 1.46Å | |
| N16 | H110 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C68 | C70 | sing | 1.51Å | 1.53Å | |
| C68 | H111 | sing | 1.09Å | 1.10Å | |
| C69 | H112 | sing | 1.09Å | 1.10Å | |
| C69 | H113 | sing | 1.09Å | 1.10Å | |
| C69 | H114 | sing | 1.09Å | 1.10Å | |
| C70 | O15 | doub | 1.21Å | 1.23Å | |
| N17 | C71 | sing | 1.46Å | 1.45Å | |
| C71 | C72 | sing | 1.53Å | 1.52Å | |
| C71 | C75 | sing | 1.51Å | 1.53Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | C74 | sing | 1.53Å | 1.52Å | |
| C72 | O16 | sing | 1.43Å | 1.43Å | |
| C75 | O17 | doub | 1.21Å | 1.23Å | |
| N17 | H115 | sing | 0.97Å | 1.00Å | |
| C71 | H116 | sing | 1.09Å | 1.10Å | |
| C73 | H117 | sing | 1.09Å | 1.10Å | |
| C73 | H118 | sing | 1.09Å | 1.10Å | |
| C73 | H119 | sing | 1.09Å | 1.10Å | |
| C74 | H120 | sing | 1.09Å | 1.10Å | |
| C74 | H121 | sing | 1.09Å | 1.10Å | |
| C74 | H122 | sing | 1.09Å | 1.10Å | |
| O16 | H123 | sing | 0.97Å | 0.95Å | |
| N18 | C76 | sing | 1.46Å | 1.46Å | |
| N18 | H124 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.53Å | 1.52Å | |
| C76 | H125 | sing | 1.09Å | 1.10Å | |
| C76 | H126 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | H127 | sing | 1.09Å | 1.10Å | |
| C77 | H128 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.52Å | |
| C78 | H129 | sing | 1.09Å | 1.10Å | |
| C78 | H130 | sing | 1.09Å | 1.10Å | |
| C79 | N19 | sing | 1.47Å | 1.46Å | |
| C79 | H131 | sing | 1.09Å | 1.10Å | |
| C79 | H132 | sing | 1.09Å | 1.10Å | |
| N19 | C80 | sing | 1.38Å | 1.33Å | |
| N19 | H133 | sing | 0.97Å | 1.00Å | |
| C80 | N20 | doub | 1.30Å | 1.32Å | |
| C80 | N21 | sing | 1.37Å | 1.32Å | |
| N20 | H134 | sing | 0.97Å | 1.00Å | |
| N21 | H135 | sing | 0.97Å | 1.00Å | |
| N21 | H136 | sing | 0.97Å | 1.00Å | |
| C4 | N1 | sing | 1.35Å | 1.35Å | |
| C5 | N2 | sing | 1.35Å | 1.34Å | |
| C11 | N3 | sing | 1.35Å | 1.35Å | |
| C16 | N4 | sing | 1.35Å | 1.34Å | |
| C21 | N5 | sing | 1.35Å | 1.34Å | |
| C26 | N6 | sing | 1.35Å | 1.34Å | |
| C29 | N7 | sing | 1.35Å | 1.33Å | |
| C40 | N8 | sing | 1.35Å | 1.35Å | |
| C41 | N9 | sing | 1.35Å | 1.34Å | |
| C51 | N13 | sing | 1.35Å | 1.33Å | |
| C53 | N14 | sing | 1.35Å | 1.34Å | |
| C61 | N15 | sing | 1.35Å | 1.35Å | |
| C63 | N16 | sing | 1.35Å | 1.34Å | |
| C70 | N17 | sing | 1.35Å | 1.34Å | |
| C75 | N18 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C1 | C2 | C4 | 109.6° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | C4 | 110.0° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C4 | C2 | H4 | 108.5° | 109.5° |
| C2 | C4 | O1 | 121.7° | 120.0° |
| C2 | C4 | N1 | 115.8° | 120.0° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H7 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| O1 | C4 | N1 | 122.5° | 120.0° |
| C6 | C8 | C9 | 114.2° | 120.0° |
| C6 | C8 | C7 | 123.1° | 120.0° |
| C8 | C6 | H8 | 109.5° | 109.5° |
| C8 | C6 | H9 | 109.5° | 109.4° |
| C8 | C6 | H10 | 109.5° | 109.5° |
| C9 | C8 | C7 | 122.7° | 120.0° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C7 | N1 | 118.8° | 120.0° |
| C8 | C7 | C5 | 124.9° | 120.0° |
| N1 | C7 | C5 | 116.3° | 120.0° |
| C7 | N1 | H11 | 118.5° | 120.0° |
| C7 | N1 | C4 | 123.0° | 120.0° |
| C7 | C5 | O2 | 120.8° | 120.0° |
| C7 | C5 | N2 | 116.5° | 120.0° |
| O2 | C5 | N2 | 122.7° | 120.0° |
| H8 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | N1 | C4 | 118.5° | 120.0° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H14 | 109.5° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| C10 | N2 | H15 | 119.0° | 120.0° |
| N2 | C10 | C11 | 113.9° | 109.5° |
| N2 | C10 | C12 | 109.6° | 109.5° |
| N2 | C10 | H16 | 108.4° | 109.5° |
| C10 | N2 | C5 | 122.1° | 120.0° |
| H15 | N2 | C5 | 119.0° | 120.0° |
| C11 | C10 | C12 | 109.8° | 109.5° |
| C11 | C10 | H16 | 107.4° | 109.4° |
| C10 | C11 | O3 | 118.3° | 120.0° |
| C10 | C11 | N3 | 120.2° | 120.1° |
| C12 | C10 | H16 | 107.5° | 109.5° |
| C10 | C12 | H17 | 109.5° | 109.5° |
| C10 | C12 | H18 | 109.5° | 109.4° |
| C10 | C12 | H19 | 109.5° | 109.5° |
| O3 | C11 | N3 | 121.5° | 120.0° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| C13 | N3 | C14 | 117.7° | 120.0° |
| N3 | C13 | H20 | 109.5° | 109.5° |
| N3 | C13 | H21 | 109.5° | 109.5° |
| N3 | C13 | H22 | 109.5° | 109.4° |
| C13 | N3 | C11 | 121.5° | 120.0° |
| N3 | C14 | C15 | 110.8° | 109.4° |
| N3 | C14 | C16 | 110.9° | 109.5° |
| N3 | C14 | H23 | 108.8° | 109.5° |
| C14 | N3 | C11 | 120.8° | 120.0° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| C15 | C14 | C16 | 110.1° | 109.4° |
| C15 | C14 | H23 | 108.1° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.4° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C16 | C14 | H23 | 108.0° | 109.5° |
| C14 | C16 | O4 | 120.3° | 119.9° |
| C14 | C16 | N4 | 116.6° | 120.1° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.4° | 109.5° |
| O4 | C16 | N4 | 123.0° | 120.0° |
| C17 | N4 | H27 | 119.0° | 120.0° |
| N4 | C17 | C18 | 111.7° | 109.5° |
| N4 | C17 | C21 | 110.5° | 109.5° |
| N4 | C17 | H28 | 108.3° | 109.5° |
| C17 | N4 | C16 | 122.0° | 120.0° |
| H27 | N4 | C16 | 119.0° | 120.0° |
| C18 | C17 | C21 | 111.4° | 109.4° |
| C18 | C17 | H28 | 107.3° | 109.5° |
| C17 | C18 | C19 | 111.6° | 109.5° |
| C17 | C18 | C20 | 111.6° | 109.5° |
| C17 | C18 | H29 | 107.2° | 109.5° |
| C21 | C17 | H28 | 107.5° | 109.5° |
| C17 | C21 | O5 | 120.4° | 120.0° |
| C17 | C21 | N5 | 116.4° | 120.0° |
| C19 | C18 | C20 | 111.1° | 109.4° |
| C19 | C18 | H29 | 107.5° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.4° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C18 | C19 | H32 | 109.4° | 109.5° |
| C20 | C18 | H29 | 107.5° | 109.5° |
| C18 | C20 | H33 | 109.5° | 109.4° |
| C18 | C20 | H34 | 109.5° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H32 | 109.5° | 109.4° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H35 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.4° | 109.5° |
| O5 | C21 | N5 | 123.3° | 120.0° |
| C22 | N5 | H36 | 119.1° | 120.0° |
| N5 | C22 | C23 | 110.9° | 109.5° |
| N5 | C22 | C26 | 110.1° | 109.5° |
| N5 | C22 | H37 | 108.8° | 109.5° |
| C22 | N5 | C21 | 121.7° | 120.0° |
| H36 | N5 | C21 | 119.1° | 119.9° |
| C23 | C22 | C26 | 111.3° | 109.5° |
| C23 | C22 | H37 | 107.7° | 109.5° |
| C22 | C23 | C24 | 111.4° | 109.4° |
| C22 | C23 | C25 | 111.3° | 109.5° |
| C22 | C23 | H38 | 107.5° | 109.4° |
| C26 | C22 | H37 | 107.9° | 109.4° |
| C22 | C26 | O6 | 120.7° | 119.9° |
| C22 | C26 | N6 | 116.0° | 120.0° |
| C24 | C23 | C25 | 110.7° | 109.5° |
| C24 | C23 | H38 | 107.8° | 109.5° |
| C23 | C24 | H39 | 109.5° | 109.5° |
| C23 | C24 | H40 | 109.5° | 109.4° |
| C23 | C24 | H41 | 109.5° | 109.5° |
| C25 | C23 | H38 | 107.8° | 109.5° |
| C23 | C25 | H42 | 109.5° | 109.4° |
| C23 | C25 | H43 | 109.5° | 109.5° |
| C23 | C25 | H44 | 109.4° | 109.5° |
| H39 | C24 | H40 | 109.5° | 109.4° |
| H39 | C24 | H41 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.4° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H44 | 109.5° | 109.5° |
| H43 | C25 | H44 | 109.5° | 109.5° |
| O6 | C26 | N6 | 123.3° | 120.0° |
| C27 | C29 | O8 | 120.4° | 120.0° |
| C29 | C27 | C28 | 114.0° | 109.5° |
| C29 | C27 | H45 | 108.3° | 109.5° |
| C29 | C27 | H53 | 108.3° | 109.5° |
| C27 | C29 | N7 | 117.4° | 120.0° |
| O8 | C29 | N7 | 122.2° | 120.0° |
| C27 | C28 | N6 | 108.4° | 109.4° |
| C27 | C28 | C30 | 108.8° | 109.5° |
| C28 | C27 | H45 | 108.3° | 109.5° |
| C27 | C28 | H46 | 108.7° | 109.5° |
| C28 | C27 | H53 | 108.3° | 109.4° |
| N6 | C28 | C30 | 112.3° | 109.4° |
| N6 | C28 | H46 | 109.7° | 109.5° |
| C28 | N6 | H51 | 118.3° | 120.1° |
| C28 | N6 | C26 | 123.3° | 120.0° |
| C28 | C30 | C31 | 120.7° | 119.9° |
| C28 | C30 | C35 | 121.3° | 120.0° |
| C30 | C28 | H46 | 108.9° | 109.5° |
| C30 | C31 | C32 | 121.4° | 120.0° |
| C31 | C30 | C35 | 118.0° | 120.1° |
| C30 | C31 | H47 | 119.3° | 120.0° |
| C31 | C32 | C33 | 119.7° | 119.9° |
| C32 | C31 | H47 | 119.3° | 120.0° |
| C31 | C32 | H48 | 120.2° | 120.0° |
| C30 | C35 | C34 | 121.3° | 120.1° |
| C30 | C35 | H50 | 119.4° | 119.9° |
| C32 | C33 | C34 | 119.8° | 119.9° |
| C32 | C33 | O7 | 120.1° | 120.1° |
| C33 | C32 | H48 | 120.1° | 120.0° |
| C35 | C34 | C33 | 119.8° | 119.9° |
| C35 | C34 | H49 | 120.1° | 120.0° |
| C34 | C35 | H50 | 119.3° | 120.0° |
| C34 | C33 | O7 | 120.1° | 120.0° |
| C33 | C34 | H49 | 120.1° | 120.1° |
| C33 | O7 | H52 | 109.5° | 114.0° |
| H45 | C27 | H53 | 109.4° | 109.4° |
| H51 | N6 | C26 | 118.4° | 119.9° |
| C36 | N7 | H54 | 119.4° | 120.0° |
| N7 | C36 | C37 | 111.2° | 109.4° |
| N7 | C36 | C40 | 111.7° | 109.5° |
| N7 | C36 | H55 | 108.1° | 109.5° |
| C36 | N7 | C29 | 121.1° | 120.0° |
| H54 | N7 | C29 | 119.5° | 120.0° |
| C37 | C36 | C40 | 111.1° | 109.5° |
| C37 | C36 | H55 | 107.1° | 109.5° |
| C36 | C37 | C38 | 111.3° | 109.5° |
| C36 | C37 | C39 | 111.5° | 109.5° |
| C36 | C37 | H56 | 107.6° | 109.4° |
| C40 | C36 | H55 | 107.3° | 109.5° |
| C36 | C40 | O9 | 120.5° | 120.0° |
| C36 | C40 | N8 | 116.7° | 120.0° |
| C38 | C37 | C39 | 110.7° | 109.5° |
| C38 | C37 | H56 | 107.8° | 109.5° |
| C37 | C38 | H57 | 109.5° | 109.5° |
| C37 | C38 | H58 | 109.5° | 109.5° |
| C37 | C38 | H59 | 109.5° | 109.5° |
| C39 | C37 | H56 | 107.8° | 109.5° |
| C37 | C39 | H60 | 109.5° | 109.5° |
| C37 | C39 | H61 | 109.5° | 109.5° |
| C37 | C39 | H62 | 109.5° | 109.5° |
| H57 | C38 | H58 | 109.5° | 109.5° |
| H57 | C38 | H59 | 109.4° | 109.5° |
| H58 | C38 | H59 | 109.5° | 109.4° |
| H60 | C39 | H61 | 109.4° | 109.4° |
| H60 | C39 | H62 | 109.5° | 109.4° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| O9 | C40 | N8 | 122.8° | 120.0° |
| C42 | C44 | C45 | 114.1° | 120.0° |
| C42 | C44 | C43 | 124.0° | 120.0° |
| C44 | C42 | H63 | 109.5° | 109.5° |
| C44 | C42 | H64 | 109.4° | 109.4° |
| C44 | C42 | H65 | 109.5° | 109.5° |
| C45 | C44 | C43 | 122.0° | 120.0° |
| C44 | C45 | H67 | 109.5° | 109.5° |
| C44 | C45 | H68 | 109.5° | 109.4° |
| C44 | C45 | H69 | 109.5° | 109.5° |
| C44 | C43 | N8 | 117.9° | 120.0° |
| C44 | C43 | C41 | 126.0° | 120.0° |
| N8 | C43 | C41 | 116.1° | 120.0° |
| C43 | N8 | H66 | 118.2° | 120.0° |
| C43 | N8 | C40 | 123.6° | 120.0° |
| C43 | C41 | O10 | 120.8° | 120.0° |
| C43 | C41 | N9 | 116.2° | 120.0° |
| O10 | C41 | N9 | 123.0° | 120.0° |
| H63 | C42 | H64 | 109.5° | 109.5° |
| H63 | C42 | H65 | 109.5° | 109.5° |
| H64 | C42 | H65 | 109.5° | 109.5° |
| H66 | N8 | C40 | 118.2° | 120.0° |
| H67 | C45 | H68 | 109.5° | 109.4° |
| H67 | C45 | H69 | 109.5° | 109.5° |
| H68 | C45 | H69 | 109.5° | 109.5° |
| C46 | N9 | H70 | 119.2° | 120.1° |
| N9 | C46 | C47 | 112.9° | 109.4° |
| N9 | C46 | C51 | 112.5° | 109.5° |
| N9 | C46 | H71 | 106.2° | 109.5° |
| C46 | N9 | C41 | 121.5° | 120.0° |
| H70 | N9 | C41 | 119.3° | 120.0° |
| C47 | C46 | C51 | 113.8° | 109.4° |
| C47 | C46 | H71 | 105.4° | 109.5° |
| C46 | C47 | C48 | 114.4° | 109.4° |
| C46 | C47 | H72 | 108.2° | 109.4° |
| C46 | C47 | H73 | 108.2° | 109.5° |
| C51 | C46 | H71 | 105.3° | 109.5° |
| C46 | C51 | O11 | 120.5° | 120.0° |
| C46 | C51 | N13 | 116.3° | 120.0° |
| C48 | C47 | H72 | 108.2° | 109.5° |
| C48 | C47 | H73 | 108.2° | 109.5° |
| C47 | C48 | C49 | 110.2° | 109.5° |
| C47 | C48 | H74 | 109.3° | 109.5° |
| C47 | C48 | H75 | 109.3° | 109.5° |
| H72 | C47 | H73 | 109.5° | 109.5° |
| C49 | C48 | H74 | 109.3° | 109.5° |
| C49 | C48 | H75 | 109.3° | 109.4° |
| C48 | C49 | N10 | 114.1° | 109.5° |
| C48 | C49 | H76 | 108.3° | 109.5° |
| C48 | C49 | H77 | 108.3° | 109.4° |
| H74 | C48 | H75 | 109.5° | 109.5° |
| N10 | C49 | H76 | 108.3° | 109.5° |
| N10 | C49 | H77 | 108.3° | 109.5° |
| C49 | N10 | C50 | 124.4° | 120.0° |
| C49 | N10 | H78 | 117.8° | 120.0° |
| H76 | C49 | H77 | 109.5° | 109.5° |
| C50 | N10 | H78 | 117.8° | 120.0° |
| N10 | C50 | N11 | 120.1° | 120.0° |
| N10 | C50 | N12 | 120.0° | 120.0° |
| N11 | C50 | N12 | 119.9° | 120.0° |
| C50 | N11 | H79 | 120.0° | 120.0° |
| C50 | N11 | H80 | 120.0° | 120.0° |
| C50 | N12 | H81 | 120.0° | 120.1° |
| C50 | N12 | H82 | 120.0° | 120.0° |
| H79 | N11 | H80 | 120.0° | 120.0° |
| H81 | N12 | H82 | 120.0° | 119.9° |
| O11 | C51 | N13 | 123.2° | 120.0° |
| C52 | N13 | H83 | 118.5° | 120.0° |
| N13 | C52 | C53 | 114.1° | 109.5° |
| N13 | C52 | C54 | 110.8° | 109.5° |
| N13 | C52 | H84 | 107.2° | 109.5° |
| C52 | N13 | C51 | 122.9° | 120.0° |
| H83 | N13 | C51 | 118.5° | 119.9° |
| C53 | C52 | C54 | 111.6° | 109.5° |
| C53 | C52 | H84 | 106.3° | 109.5° |
| C52 | C53 | O12 | 119.9° | 120.0° |
| C52 | C53 | N14 | 117.7° | 120.0° |
| C54 | C52 | H84 | 106.2° | 109.4° |
| C52 | C54 | C55 | 111.1° | 109.5° |
| C52 | C54 | C56 | 111.3° | 109.5° |
| C52 | C54 | H85 | 107.7° | 109.5° |
| O12 | C53 | N14 | 122.4° | 120.0° |
| C55 | C54 | C56 | 110.7° | 109.4° |
| C55 | C54 | H85 | 107.9° | 109.5° |
| C54 | C55 | H86 | 109.5° | 109.5° |
| C54 | C55 | H87 | 109.5° | 109.5° |
| C54 | C55 | H88 | 109.5° | 109.4° |
| C56 | C54 | H85 | 107.9° | 109.4° |
| C54 | C56 | H89 | 109.5° | 109.5° |
| C54 | C56 | H90 | 109.5° | 109.5° |
| C54 | C56 | H91 | 109.5° | 109.5° |
| H86 | C55 | H87 | 109.5° | 109.5° |
| H86 | C55 | H88 | 109.5° | 109.4° |
| H87 | C55 | H88 | 109.4° | 109.5° |
| H89 | C56 | H90 | 109.5° | 109.5° |
| H89 | C56 | H91 | 109.4° | 109.4° |
| H90 | C56 | H91 | 109.5° | 109.4° |
| C57 | N14 | H92 | 119.8° | 120.0° |
| N14 | C57 | C58 | 111.4° | 109.5° |
| N14 | C57 | C61 | 112.5° | 109.5° |
| N14 | C57 | H93 | 107.5° | 109.5° |
| C57 | N14 | C53 | 120.4° | 120.0° |
| H92 | N14 | C53 | 119.8° | 120.0° |
| C58 | C57 | C61 | 111.7° | 109.4° |
| C58 | C57 | H93 | 106.6° | 109.5° |
| C57 | C58 | C59 | 111.2° | 109.4° |
| C57 | C58 | C60 | 111.1° | 109.5° |
| C57 | C58 | H94 | 107.8° | 109.5° |
| C61 | C57 | H93 | 106.7° | 109.4° |
| C57 | C61 | O13 | 120.7° | 120.0° |
| C57 | C61 | N15 | 116.8° | 120.0° |
| C59 | C58 | C60 | 110.6° | 109.4° |
| C59 | C58 | H94 | 108.0° | 109.5° |
| C58 | C59 | H95 | 109.5° | 109.5° |
| C58 | C59 | H96 | 109.5° | 109.5° |
| C58 | C59 | H97 | 109.4° | 109.4° |
| C60 | C58 | H94 | 108.0° | 109.5° |
| C58 | C60 | H98 | 109.5° | 109.5° |
| C58 | C60 | H99 | 109.5° | 109.5° |
| C58 | C60 | H100 | 109.5° | 109.5° |
| H95 | C59 | H96 | 109.4° | 109.5° |
| H95 | C59 | H97 | 109.5° | 109.6° |
| H96 | C59 | H97 | 109.5° | 109.4° |
| H98 | C60 | H99 | 109.5° | 109.5° |
| H98 | C60 | H100 | 109.5° | 109.4° |
| H99 | C60 | H100 | 109.5° | 109.4° |
| O13 | C61 | N15 | 122.4° | 120.0° |
| O14 | C63 | C62 | 120.7° | 120.0° |
| O14 | C63 | N16 | 123.3° | 120.0° |
| C63 | C62 | C64 | 124.5° | 120.0° |
| C63 | C62 | N15 | 116.9° | 120.0° |
| C62 | C63 | N16 | 115.9° | 120.0° |
| C67 | C65 | C64 | 113.7° | 109.5° |
| C67 | C65 | H102 | 108.4° | 109.5° |
| C67 | C65 | H103 | 108.4° | 109.4° |
| C65 | C67 | H107 | 109.5° | 109.5° |
| C65 | C67 | H108 | 109.5° | 109.4° |
| C65 | C67 | H109 | 109.5° | 109.4° |
| C65 | C64 | C62 | 122.2° | 120.0° |
| C65 | C64 | C66 | 114.8° | 120.0° |
| C64 | C65 | H102 | 108.4° | 109.5° |
| C64 | C65 | H103 | 108.4° | 109.5° |
| C64 | C62 | N15 | 118.6° | 120.0° |
| C62 | C64 | C66 | 123.0° | 120.0° |
| C62 | N15 | H101 | 118.3° | 120.0° |
| C62 | N15 | C61 | 123.4° | 120.0° |
| C64 | C66 | H104 | 109.5° | 109.5° |
| C64 | C66 | H105 | 109.5° | 109.5° |
| C64 | C66 | H106 | 109.5° | 109.4° |
| H101 | N15 | C61 | 118.3° | 120.0° |
| H102 | C65 | H103 | 109.4° | 109.4° |
| H104 | C66 | H105 | 109.4° | 109.5° |
| H104 | C66 | H106 | 109.5° | 109.5° |
| H105 | C66 | H106 | 109.5° | 109.5° |
| H107 | C67 | H108 | 109.5° | 109.5° |
| H107 | C67 | H109 | 109.5° | 109.5° |
| H108 | C67 | H109 | 109.5° | 109.5° |
| C68 | N16 | H110 | 118.0° | 120.0° |
| N16 | C68 | C69 | 110.3° | 109.4° |
| N16 | C68 | C70 | 113.0° | 109.5° |
| N16 | C68 | H111 | 108.3° | 109.5° |
| C68 | N16 | C63 | 124.0° | 120.0° |
| H110 | N16 | C63 | 118.0° | 120.0° |
| C69 | C68 | C70 | 110.2° | 109.5° |
| C69 | C68 | H111 | 107.5° | 109.4° |
| C68 | C69 | H112 | 109.5° | 109.4° |
| C68 | C69 | H113 | 109.5° | 109.4° |
| C68 | C69 | H114 | 109.5° | 109.5° |
| C70 | C68 | H111 | 107.4° | 109.5° |
| C68 | C70 | O15 | 120.1° | 120.0° |
| C68 | C70 | N17 | 116.9° | 120.0° |
| H112 | C69 | H113 | 109.5° | 109.5° |
| H112 | C69 | H114 | 109.4° | 109.5° |
| H113 | C69 | H114 | 109.5° | 109.5° |
| O15 | C70 | N17 | 122.9° | 120.0° |
| N17 | C71 | C72 | 111.7° | 109.5° |
| N17 | C71 | C75 | 113.0° | 109.5° |
| C71 | N17 | H115 | 118.7° | 120.0° |
| N17 | C71 | H116 | 107.3° | 109.5° |
| C71 | N17 | C70 | 122.5° | 120.0° |
| C72 | C71 | C75 | 111.5° | 109.5° |
| C71 | C72 | C73 | 110.7° | 109.5° |
| C71 | C72 | C74 | 110.7° | 109.5° |
| C71 | C72 | O16 | 108.9° | 109.5° |
| C72 | C71 | H116 | 106.5° | 109.4° |
| C71 | C75 | O17 | 120.4° | 120.0° |
| C75 | C71 | H116 | 106.4° | 109.5° |
| C71 | C75 | N18 | 116.7° | 120.0° |
| C73 | C72 | C74 | 111.4° | 109.5° |
| C73 | C72 | O16 | 107.5° | 109.4° |
| C72 | C73 | H117 | 109.5° | 109.4° |
| C72 | C73 | H118 | 109.5° | 109.4° |
| C72 | C73 | H119 | 109.5° | 109.5° |
| C74 | C72 | O16 | 107.4° | 109.5° |
| C72 | C74 | H120 | 109.5° | 109.5° |
| C72 | C74 | H121 | 109.4° | 109.4° |
| C72 | C74 | H122 | 109.5° | 109.4° |
| C72 | O16 | H123 | 109.5° | 113.9° |
| O17 | C75 | N18 | 122.8° | 120.0° |
| H115 | N17 | C70 | 118.8° | 120.0° |
| H117 | C73 | H118 | 109.5° | 109.5° |
| H117 | C73 | H119 | 109.4° | 109.5° |
| H118 | C73 | H119 | 109.5° | 109.5° |
| H120 | C74 | H121 | 109.5° | 109.5° |
| H120 | C74 | H122 | 109.4° | 109.5° |
| H121 | C74 | H122 | 109.5° | 109.5° |
| C76 | N18 | H124 | 117.5° | 120.0° |
| N18 | C76 | C77 | 112.7° | 109.5° |
| N18 | C76 | H125 | 108.7° | 109.5° |
| N18 | C76 | H126 | 108.6° | 109.5° |
| C76 | N18 | C75 | 124.9° | 120.0° |
| H124 | N18 | C75 | 117.5° | 120.0° |
| C77 | C76 | H125 | 108.7° | 109.5° |
| C77 | C76 | H126 | 108.7° | 109.4° |
| C76 | C77 | C78 | 112.9° | 109.5° |
| C76 | C77 | H127 | 108.6° | 109.5° |
| C76 | C77 | H128 | 108.6° | 109.4° |
| H125 | C76 | H126 | 109.5° | 109.5° |
| C78 | C77 | H127 | 108.6° | 109.5° |
| C78 | C77 | H128 | 108.6° | 109.5° |
| C77 | C78 | C79 | 113.2° | 109.4° |
| C77 | C78 | H129 | 108.5° | 109.5° |
| C77 | C78 | H130 | 108.5° | 109.5° |
| H127 | C77 | H128 | 109.5° | 109.5° |
| C79 | C78 | H129 | 108.5° | 109.5° |
| C79 | C78 | H130 | 108.5° | 109.5° |
| C78 | C79 | N19 | 114.8° | 109.5° |
| C78 | C79 | H131 | 108.1° | 109.5° |
| C78 | C79 | H132 | 108.1° | 109.5° |
| H129 | C78 | H130 | 109.5° | 109.5° |
| N19 | C79 | H131 | 108.1° | 109.5° |
| N19 | C79 | H132 | 108.1° | 109.5° |
| C79 | N19 | C80 | 124.7° | 120.0° |
| C79 | N19 | H133 | 117.6° | 120.0° |
| H131 | C79 | H132 | 109.4° | 109.4° |
| C80 | N19 | H133 | 117.6° | 120.0° |
| N19 | C80 | N20 | 120.1° | 120.0° |
| N19 | C80 | N21 | 120.3° | 120.0° |
| N20 | C80 | N21 | 119.6° | 120.0° |
| C80 | N20 | H134 | 112.0° | 120.0° |
| C80 | N21 | H135 | 120.0° | 120.0° |
| C80 | N21 | H136 | 120.0° | 120.0° |
| H135 | N21 | H136 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 121.7° | 120.0° |
| C1 | C2 | C3 | H4 | 119.7° | 120.0° |
| C1 | C2 | C4 | H4 | 118.5° | 120.0° |
| C1 | C2 | C3 | H5 | 180.0° | 60.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C3 | H7 | 60.0° | 180.0° |
| C1 | C2 | C4 | O1 | 112.6° | 0.0° |
| C1 | C2 | C4 | N1 | 67.2° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1 | C1 | C2 | C4 | 58.0° | 180.0° |
| H1 | C1 | C2 | H4 | 60.4° | 60.0° |
| H2 | C1 | C2 | C3 | 60.0° | 180.0° |
| H2 | C1 | C2 | C4 | 61.9° | 60.0° |
| H2 | C1 | C2 | H4 | 179.7° | 60.0° |
| H3 | C1 | C2 | C3 | 60.0° | 60.0° |
| H3 | C1 | C2 | C4 | 178.1° | 60.0° |
| H3 | C1 | C2 | H4 | 59.7° | 180.0° |
| C3 | C2 | C4 | H4 | 118.7° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C2 | C4 | O1 | 10.2° | 120.0° |
| C3 | C2 | C4 | N1 | 170.0° | 60.0° |
| C4 | C2 | C3 | H5 | 58.2° | 180.0° |
| C4 | C2 | C3 | H6 | 178.3° | 60.0° |
| C4 | C2 | C3 | H7 | 61.8° | 60.0° |
| C2 | C4 | O1 | N1 | 179.8° | 180.0° |
| C2 | C4 | N1 | C7 | 157.3° | 175.2° |
| C2 | C4 | N1 | H11 | 22.7° | 4.8° |
| H4 | C2 | C3 | H5 | 60.4° | 60.0° |
| H4 | C2 | C3 | H6 | 59.7° | 180.0° |
| H4 | C2 | C3 | H7 | 179.7° | 60.0° |
| H4 | C2 | C4 | O1 | 128.9° | 120.0° |
| H4 | C2 | C4 | N1 | 51.3° | 60.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| O1 | C4 | N1 | C7 | 22.5° | 4.8° |
| O1 | C4 | N1 | H11 | 157.5° | 175.2° |
| C6 | C8 | C9 | C7 | 178.8° | 180.0° |
| C6 | C8 | C7 | N1 | 21.9° | 173.7° |
| C6 | C8 | C7 | C5 | 159.1° | 6.3° |
| C8 | C6 | H8 | H9 | 120.0° | 119.9° |
| C8 | C6 | H8 | H10 | 120.0° | 120.0° |
| C8 | C6 | H9 | H10 | 120.0° | 120.0° |
| C6 | C8 | C9 | H12 | 180.0° | 4.8° |
| C6 | C8 | C9 | H13 | 60.0° | 124.8° |
| C6 | C8 | C9 | H14 | 60.0° | 115.1° |
| C9 | C8 | C7 | N1 | 156.9° | 6.3° |
| C9 | C8 | C7 | C5 | 22.2° | 173.7° |
| C9 | C8 | C6 | H8 | 180.0° | 5.2° |
| C9 | C8 | C6 | H9 | 60.0° | 114.7° |
| C9 | C8 | C6 | H10 | 60.0° | 125.2° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| C8 | C9 | H12 | H14 | 120.0° | 120.0° |
| C8 | C9 | H13 | H14 | 120.0° | 120.0° |
| C8 | C7 | N1 | C5 | 179.1° | 180.0° |
| C8 | C7 | C5 | O2 | 35.7° | 5.8° |
| C7 | C8 | C6 | H8 | 1.1° | 174.9° |
| C7 | C8 | C6 | H9 | 118.8° | 65.2° |
| C7 | C8 | C6 | H10 | 121.2° | 54.8° |
| C8 | C7 | N1 | H11 | 77.1° | 58.5° |
| C7 | C8 | C9 | H12 | 1.2° | 175.2° |
| C7 | C8 | C9 | H13 | 121.1° | 55.2° |
| C7 | C8 | C9 | H14 | 118.9° | 64.8° |
| C8 | C7 | N1 | C4 | 102.9° | 121.4° |
| C8 | C7 | C5 | N2 | 142.7° | 174.1° |
| N1 | C7 | C5 | O2 | 145.3° | 174.3° |
| C7 | N1 | H11 | C4 | 180.0° | 180.0° |
| N1 | C7 | C5 | N2 | 36.3° | 5.9° |
| C7 | C5 | O2 | N2 | 178.3° | 179.9° |
| C5 | C7 | N1 | H11 | 102.0° | 121.5° |
| C7 | C5 | N2 | C10 | 177.1° | 174.9° |
| C7 | C5 | N2 | H15 | 2.9° | 5.0° |
| C5 | C7 | N1 | C4 | 78.0° | 58.6° |
| O2 | C5 | N2 | C10 | 1.3° | 5.2° |
| O2 | C5 | N2 | H15 | 178.8° | 174.9° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H12 | C9 | H13 | H14 | 120.0° | 120.0° |
| C10 | N2 | H15 | C5 | 180.0° | 179.9° |
| N2 | C10 | C11 | C12 | 123.3° | 120.0° |
| N2 | C10 | C11 | H16 | 120.1° | 120.0° |
| N2 | C10 | C12 | H16 | 117.7° | 120.0° |
| N2 | C10 | C11 | O3 | 121.7° | 0.0° |
| N2 | C10 | C12 | H17 | 180.0° | 180.0° |
| N2 | C10 | C12 | H18 | 60.0° | 60.0° |
| N2 | C10 | C12 | H19 | 60.0° | 60.0° |
| N2 | C10 | C11 | N3 | 60.4° | 180.0° |
| H15 | N2 | C10 | C11 | 50.7° | 25.1° |
| H15 | N2 | C10 | C12 | 72.7° | 95.0° |
| H15 | N2 | C10 | H16 | 170.2° | 145.0° |
| C11 | C10 | C12 | H16 | 116.5° | 119.9° |
| C10 | C11 | O3 | N3 | 177.9° | 180.0° |
| C11 | C10 | C12 | H17 | 54.1° | 60.0° |
| C11 | C10 | C12 | H18 | 174.2° | 179.9° |
| C11 | C10 | C12 | H19 | 65.8° | 60.0° |
| C10 | C11 | N3 | C13 | 12.4° | 0.0° |
| C10 | C11 | N3 | C14 | 167.1° | 180.0° |
| C11 | C10 | N2 | C5 | 129.3° | 155.0° |
| C12 | C10 | C11 | O3 | 1.6° | 120.0° |
| C10 | C12 | H17 | H18 | 120.0° | 120.0° |
| C10 | C12 | H17 | H19 | 120.0° | 120.0° |
| C10 | C12 | H18 | H19 | 120.0° | 120.0° |
| C12 | C10 | N2 | C5 | 107.2° | 84.9° |
| C12 | C10 | C11 | N3 | 176.3° | 60.0° |
| H16 | C10 | C11 | O3 | 118.2° | 120.0° |
| H16 | C10 | C12 | H17 | 62.4° | 60.0° |
| H16 | C10 | C12 | H18 | 57.7° | 60.0° |
| H16 | C10 | C12 | H19 | 177.7° | 180.0° |
| H16 | C10 | N2 | C5 | 9.8° | 35.1° |
| H16 | C10 | C11 | N3 | 59.7° | 60.0° |
| O3 | C11 | N3 | C13 | 165.5° | 180.0° |
| O3 | C11 | N3 | C14 | 15.0° | 0.1° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| C13 | N3 | C14 | C11 | 179.5° | 179.9° |
| N3 | C13 | H20 | H21 | 120.0° | 120.0° |
| N3 | C13 | H20 | H22 | 120.0° | 119.9° |
| N3 | C13 | H21 | H22 | 120.0° | 119.9° |
| C13 | N3 | C14 | C15 | 60.2° | 60.0° |
| C13 | N3 | C14 | C16 | 62.4° | 59.9° |
| C13 | N3 | C14 | H23 | 179.0° | 180.0° |
| C14 | N3 | C13 | H20 | 180.0° | 90.0° |
| C14 | N3 | C13 | H21 | 60.0° | 30.1° |
| C14 | N3 | C13 | H22 | 60.0° | 150.1° |
| N3 | C14 | C15 | C16 | 123.1° | 120.0° |
| N3 | C14 | C15 | H23 | 119.2° | 120.0° |
| N3 | C14 | C16 | H23 | 119.2° | 120.1° |
| N3 | C14 | C15 | H24 | 180.0° | 60.0° |
| N3 | C14 | C15 | H25 | 60.0° | 180.0° |
| N3 | C14 | C15 | H26 | 60.0° | 60.0° |
| N3 | C14 | C16 | O4 | 1.3° | 0.0° |
| N3 | C14 | C16 | N4 | 179.1° | 180.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H20 | C13 | N3 | C11 | 0.5° | 89.9° |
| H21 | C13 | N3 | C11 | 120.5° | 150.0° |
| H22 | C13 | N3 | C11 | 119.5° | 30.0° |
| C15 | C14 | C16 | H23 | 117.8° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H26 | 120.0° | 120.0° |
| C14 | C15 | H25 | H26 | 120.0° | 120.0° |
| C15 | C14 | C16 | O4 | 124.3° | 120.0° |
| C15 | C14 | N3 | C11 | 119.3° | 120.1° |
| C15 | C14 | C16 | N4 | 56.1° | 60.0° |
| C16 | C14 | C15 | H24 | 56.9° | 60.0° |
| C16 | C14 | C15 | H25 | 176.9° | 60.0° |
| C16 | C14 | C15 | H26 | 63.1° | 180.0° |
| C14 | C16 | O4 | N4 | 179.5° | 180.0° |
| C14 | C16 | N4 | C17 | 160.2° | 180.0° |
| C14 | C16 | N4 | H27 | 19.8° | 0.0° |
| C16 | C14 | N3 | C11 | 118.1° | 120.0° |
| H23 | C14 | C15 | H24 | 60.8° | NaN° |
| H23 | C14 | C15 | H25 | 59.2° | 60.0° |
| H23 | C14 | C15 | H26 | 179.1° | 60.0° |
| H23 | C14 | C16 | O4 | 117.9° | 120.0° |
| H23 | C14 | N3 | C11 | 0.5° | 0.1° |
| H23 | C14 | C16 | N4 | 61.7° | 60.0° |
| H24 | C15 | H25 | H26 | 120.0° | 120.0° |
| O4 | C16 | N4 | C17 | 19.4° | 0.0° |
| O4 | C16 | N4 | H27 | 160.6° | 180.0° |
| C17 | N4 | H27 | C16 | 180.0° | 180.0° |
| N4 | C17 | C18 | C21 | 124.1° | 120.0° |
| N4 | C17 | C18 | H28 | 118.6° | 120.0° |
| N4 | C17 | C21 | H28 | 118.0° | 120.0° |
| N4 | C17 | C18 | C19 | 66.7° | 55.1° |
| N4 | C17 | C18 | C20 | 58.2° | 64.8° |
| N4 | C17 | C18 | H29 | 175.7° | 175.2° |
| N4 | C17 | C21 | O5 | 149.8° | 12.8° |
| N4 | C17 | C21 | N5 | 30.9° | 167.3° |
| H27 | N4 | C17 | C18 | 8.5° | 95.0° |
| H27 | N4 | C17 | C21 | 116.1° | 25.0° |
| H27 | N4 | C17 | H28 | 126.4° | 145.0° |
| C18 | C17 | C21 | H28 | 117.2° | 120.0° |
| C17 | C18 | C19 | C20 | 125.2° | 119.9° |
| C17 | C18 | C19 | H29 | 117.3° | 120.1° |
| C17 | C18 | C20 | H29 | 117.4° | 120.1° |
| C17 | C18 | C19 | H30 | 180.0° | 55.7° |
| C17 | C18 | C19 | H31 | 60.0° | 64.3° |
| C17 | C18 | C19 | H32 | 60.0° | 175.7° |
| C17 | C18 | C20 | H33 | 180.0° | 60.0° |
| C17 | C18 | C20 | H34 | 60.0° | 180.0° |
| C17 | C18 | C20 | H35 | 60.0° | 59.9° |
| C18 | C17 | C21 | O5 | 85.5° | 107.2° |
| C18 | C17 | N4 | C16 | 171.5° | 85.0° |
| C18 | C17 | C21 | N5 | 93.8° | 72.7° |
| C21 | C17 | C18 | C19 | 57.4° | 64.9° |
| C21 | C17 | C18 | C20 | 177.7° | 175.2° |
| C21 | C17 | C18 | H29 | 60.2° | 55.2° |
| C17 | C21 | O5 | N5 | 179.2° | 180.0° |
| C17 | C21 | N5 | C22 | 169.1° | 175.6° |
| C17 | C21 | N5 | H36 | 10.9° | 4.5° |
| C21 | C17 | N4 | C16 | 63.9° | 155.0° |
| H28 | C17 | C18 | C19 | 174.7° | 175.1° |
| H28 | C17 | C18 | C20 | 60.3° | 55.2° |
| H28 | C17 | C18 | H29 | 57.2° | 64.8° |
| H28 | C17 | C21 | O5 | 31.7° | 132.8° |
| H28 | C17 | N4 | C16 | 53.6° | 35.0° |
| H28 | C17 | C21 | N5 | 149.0° | 47.3° |
| C19 | C18 | C20 | H29 | 117.4° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H32 | 120.0° | 120.0° |
| C18 | C19 | H31 | H32 | 119.9° | 120.1° |
| C19 | C18 | C20 | H33 | 54.8° | 180.0° |
| C19 | C18 | C20 | H34 | 65.2° | 60.0° |
| C19 | C18 | C20 | H35 | 174.8° | 60.0° |
| C20 | C18 | C19 | H30 | 54.8° | 175.7° |
| C20 | C18 | C19 | H31 | 174.8° | 55.7° |
| C20 | C18 | C19 | H32 | 65.2° | 64.4° |
| C18 | C20 | H33 | H34 | 120.0° | 120.0° |
| C18 | C20 | H33 | H35 | 120.0° | 120.0° |
| C18 | C20 | H34 | H35 | 120.0° | 120.0° |
| H29 | C18 | C19 | H30 | 62.7° | 64.4° |
| H29 | C18 | C19 | H31 | 57.4° | 175.6° |
| H29 | C18 | C19 | H32 | 177.3° | 55.6° |
| H29 | C18 | C20 | H33 | 62.6° | 60.0° |
| H29 | C18 | C20 | H34 | 177.3° | 60.0° |
| H29 | C18 | C20 | H35 | 57.4° | NaN° |
| H30 | C19 | H31 | H32 | 120.0° | 119.9° |
| H33 | C20 | H34 | H35 | 120.0° | 120.1° |
| O5 | C21 | N5 | C22 | 10.1° | 4.4° |
| O5 | C21 | N5 | H36 | 169.8° | 175.6° |
| C22 | N5 | H36 | C21 | 180.0° | 179.9° |
| N5 | C22 | C23 | C26 | 122.9° | 120.0° |
| N5 | C22 | C23 | H37 | 119.0° | 120.0° |
| N5 | C22 | C26 | H37 | 118.6° | 120.0° |
| N5 | C22 | C23 | C24 | 74.4° | 52.8° |
| N5 | C22 | C23 | C25 | 161.5° | 67.2° |
| N5 | C22 | C23 | H38 | 43.6° | 172.8° |
| N5 | C22 | C26 | O6 | 56.1° | 12.9° |
| N5 | C22 | C26 | N6 | 123.4° | 167.0° |
| H36 | N5 | C22 | C23 | 60.9° | 95.0° |
| H36 | N5 | C22 | C26 | 62.8° | 25.0° |
| H36 | N5 | C22 | H37 | 179.1° | 145.0° |
| C23 | C22 | C26 | H37 | 117.9° | 119.9° |
| C22 | C23 | C24 | C25 | 124.5° | 120.0° |
| C22 | C23 | C24 | H38 | 117.8° | 120.0° |
| C22 | C23 | C25 | H38 | 117.7° | 120.0° |
| C22 | C23 | C24 | H39 | 180.0° | 60.0° |
| C22 | C23 | C24 | H40 | 60.0° | 180.0° |
| C22 | C23 | C24 | H41 | 60.0° | 60.0° |
| C22 | C23 | C25 | H42 | 180.0° | 52.9° |
| C22 | C23 | C25 | H43 | 60.0° | 172.9° |
| C22 | C23 | C25 | H44 | 60.0° | 67.1° |
| C23 | C22 | C26 | O6 | 67.4° | 107.1° |
| C23 | C22 | N5 | C21 | 119.2° | 85.0° |
| C23 | C22 | C26 | N6 | 113.1° | 73.0° |
| C26 | C22 | C23 | C24 | 162.7° | 67.2° |
| C26 | C22 | C23 | C25 | 38.5° | 172.8° |
| C26 | C22 | C23 | H38 | 79.4° | 52.8° |
| C22 | C26 | O6 | N6 | 179.5° | 179.9° |
| C22 | C26 | N6 | C28 | 166.8° | 175.0° |
| C22 | C26 | N6 | H51 | 13.2° | 5.2° |
| C26 | C22 | N5 | C21 | 117.2° | 155.0° |
| H37 | C22 | C23 | C24 | 44.6° | 172.8° |
| H37 | C22 | C23 | C25 | 79.6° | 52.8° |
| H37 | C22 | C23 | H38 | 162.5° | 67.2° |
| H37 | C22 | C26 | O6 | 174.7° | 132.9° |
| H37 | C22 | N5 | C21 | 0.9° | 35.1° |
| H37 | C22 | C26 | N6 | 4.8° | 47.0° |
| C24 | C23 | C25 | H38 | 117.7° | 120.1° |
| C23 | C24 | H39 | H40 | 120.0° | 120.0° |
| C23 | C24 | H39 | H41 | 120.0° | 120.1° |
| C23 | C24 | H40 | H41 | 120.0° | 120.0° |
| C24 | C23 | C25 | H42 | 55.4° | 172.8° |
| C24 | C23 | C25 | H43 | 64.6° | 67.2° |
| C24 | C23 | C25 | H44 | 175.5° | 52.8° |
| C25 | C23 | C24 | H39 | 55.5° | 59.9° |
| C25 | C23 | C24 | H40 | 175.5° | 60.0° |
| C25 | C23 | C24 | H41 | 64.5° | 180.0° |
| C23 | C25 | H42 | H43 | 120.0° | 120.0° |
| C23 | C25 | H42 | H44 | 120.0° | 120.0° |
| C23 | C25 | H43 | H44 | 120.0° | 120.0° |
| H38 | C23 | C24 | H39 | 62.2° | 180.0° |
| H38 | C23 | C24 | H40 | 57.8° | 60.0° |
| H38 | C23 | C24 | H41 | 177.8° | 59.9° |
| H38 | C23 | C25 | H42 | 62.3° | 67.1° |
| H38 | C23 | C25 | H43 | 177.7° | 52.9° |
| H38 | C23 | C25 | H44 | 57.8° | 172.9° |
| H39 | C24 | H40 | H41 | 120.0° | 120.0° |
| H42 | C25 | H43 | H44 | 120.0° | 120.0° |
| O6 | C26 | N6 | C28 | 12.7° | 4.9° |
| O6 | C26 | N6 | H51 | 167.3° | 175.0° |
| C27 | C29 | O8 | N7 | 178.5° | 179.9° |
| C29 | C27 | C28 | H45 | 120.7° | 120.1° |
| C29 | C27 | C28 | H53 | 120.7° | 120.0° |
| C29 | C27 | C28 | N6 | 72.2° | 65.1° |
| C29 | C27 | C28 | C30 | 165.4° | 175.0° |
| C29 | C27 | H45 | H53 | 117.9° | 120.0° |
| C29 | C27 | C28 | H46 | 47.0° | 54.9° |
| C27 | C29 | N7 | C36 | 173.9° | 179.9° |
| C27 | C29 | N7 | H54 | 6.0° | 0.1° |
| O8 | C29 | C27 | C28 | 39.5° | 0.1° |
| O8 | C29 | C27 | H45 | 81.2° | 119.9° |
| O8 | C29 | C27 | H53 | 160.2° | 120.1° |
| O8 | C29 | N7 | C36 | 4.6° | 0.1° |
| O8 | C29 | N7 | H54 | 175.4° | 180.0° |
| C27 | C28 | N6 | C30 | 120.2° | 120.0° |
| C27 | C28 | N6 | H46 | 118.6° | 120.0° |
| C27 | C28 | C30 | H46 | 118.3° | 120.1° |
| C27 | C28 | C30 | C31 | 83.6° | 80.2° |
| C27 | C28 | C30 | C35 | 96.5° | 100.0° |
| C28 | C27 | H45 | H53 | 117.9° | 119.9° |
| C27 | C28 | N6 | H51 | 4.0° | 24.9° |
| C27 | C28 | N6 | C26 | 175.9° | 155.0° |
| C28 | C27 | C29 | N7 | 141.9° | 180.0° |
| N6 | C28 | C30 | H46 | 121.7° | 120.0° |
| N6 | C28 | C30 | C31 | 156.4° | 39.7° |
| N6 | C28 | C30 | C35 | 23.5° | 140.0° |
| N6 | C28 | C27 | H45 | 167.1° | 55.0° |
| C28 | N6 | H51 | C26 | 180.0° | 179.9° |
| N6 | C28 | C27 | H53 | 48.5° | 174.9° |
| C28 | C30 | C31 | C35 | 179.9° | 179.7° |
| C28 | C30 | C31 | C32 | 179.6° | 180.0° |
| C28 | C30 | C35 | C34 | 179.8° | 179.8° |
| C30 | C28 | C27 | H45 | 44.7° | 65.0° |
| C28 | C30 | C31 | H47 | 0.4° | 0.0° |
| C28 | C30 | C35 | H50 | 0.2° | 0.0° |
| C30 | C28 | N6 | H51 | 116.2° | 95.1° |
| C30 | C28 | C27 | H53 | 73.9° | 55.0° |
| C30 | C28 | N6 | C26 | 63.9° | 85.1° |
| C30 | C31 | C32 | H47 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C31 | C30 | C35 | C34 | 0.3° | 0.5° |
| C31 | C30 | C28 | H46 | 34.8° | 159.7° |
| C30 | C31 | C32 | H48 | 179.7° | 180.0° |
| C31 | C30 | C35 | H50 | 179.8° | 179.7° |
| C32 | C31 | C30 | C35 | 0.5° | 0.3° |
| C31 | C32 | C33 | H48 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C31 | C32 | C33 | O7 | 179.8° | 180.0° |
| C30 | C35 | C34 | H50 | 180.0° | 179.8° |
| C30 | C35 | C34 | C33 | 0.1° | 0.5° |
| C35 | C30 | C28 | H46 | 145.1° | 20.0° |
| C35 | C30 | C31 | H47 | 179.5° | 179.8° |
| C30 | C35 | C34 | H49 | 179.9° | 179.8° |
| C32 | C33 | C34 | C35 | 0.3° | 0.3° |
| C32 | C33 | C34 | O7 | 179.7° | 179.9° |
| C33 | C32 | C31 | H47 | 179.7° | 180.0° |
| C32 | C33 | C34 | H49 | 179.8° | 180.0° |
| C32 | C33 | O7 | H52 | 180.0° | 90.0° |
| C35 | C34 | C33 | H49 | 180.0° | 179.7° |
| C35 | C34 | C33 | O7 | 180.0° | 179.8° |
| C34 | C33 | C32 | H48 | 179.9° | 179.9° |
| C33 | C34 | C35 | H50 | 179.9° | 179.7° |
| C34 | C33 | O7 | H52 | 0.3° | 90.0° |
| O7 | C33 | C32 | H48 | 0.2° | 0.0° |
| O7 | C33 | C34 | H49 | 0.0° | 0.0° |
| H45 | C27 | C28 | H46 | 73.7° | 175.0° |
| H45 | C27 | C29 | N7 | 97.4° | 59.9° |
| H46 | C28 | N6 | H51 | 122.6° | 145.0° |
| H46 | C28 | C27 | H53 | 167.6° | 65.0° |
| H46 | C28 | N6 | C26 | 57.4° | 34.9° |
| H47 | C31 | C32 | H48 | 0.3° | 0.0° |
| H49 | C34 | C35 | H50 | 0.1° | 0.0° |
| H53 | C27 | C29 | N7 | 21.3° | 60.1° |
| C36 | N7 | H54 | C29 | 180.0° | 180.0° |
| N7 | C36 | C37 | C40 | 125.1° | 120.0° |
| N7 | C36 | C37 | H55 | 118.0° | 120.0° |
| N7 | C36 | C40 | H55 | 118.4° | 120.0° |
| N7 | C36 | C37 | C38 | 49.8° | 55.0° |
| N7 | C36 | C37 | C39 | 74.3° | 65.0° |
| N7 | C36 | C37 | H56 | 167.7° | 175.0° |
| N7 | C36 | C40 | O9 | 171.6° | 0.0° |
| N7 | C36 | C40 | N8 | 9.2° | 180.0° |
| H54 | N7 | C36 | C37 | 16.1° | 95.0° |
| H54 | N7 | C36 | C40 | 108.6° | 25.0° |
| H54 | N7 | C36 | H55 | 133.5° | 145.0° |
| C37 | C36 | C40 | H55 | 116.8° | 120.0° |
| C36 | C37 | C38 | C39 | 124.6° | 120.0° |
| C36 | C37 | C38 | H56 | 117.7° | 120.0° |
| C36 | C37 | C39 | H56 | 117.8° | 120.0° |
| C36 | C37 | C38 | H57 | 180.0° | 60.0° |
| C36 | C37 | C38 | H58 | 60.0° | 180.0° |
| C36 | C37 | C38 | H59 | 60.0° | 60.0° |
| C36 | C37 | C39 | H60 | 180.0° | 60.0° |
| C36 | C37 | C39 | H61 | 60.0° | 60.0° |
| C36 | C37 | C39 | H62 | 60.0° | 180.0° |
| C37 | C36 | C40 | O9 | 63.6° | 120.0° |
| C37 | C36 | N7 | C29 | 163.9° | 85.0° |
| C37 | C36 | C40 | N8 | 115.6° | 60.0° |
| C40 | C36 | C37 | C38 | 174.9° | 65.0° |
| C40 | C36 | C37 | C39 | 50.8° | 175.0° |
| C40 | C36 | C37 | H56 | 67.2° | 55.0° |
| C36 | C40 | O9 | N8 | 179.2° | 180.0° |
| C36 | C40 | N8 | C43 | 169.8° | 175.6° |
| C36 | C40 | N8 | H66 | 10.2° | 4.4° |
| C40 | C36 | N7 | C29 | 71.4° | 155.0° |
| H55 | C36 | C37 | C38 | 68.1° | 175.0° |
| H55 | C36 | C37 | C39 | 167.7° | 55.0° |
| H55 | C36 | C37 | H56 | 49.7° | 65.0° |
| H55 | C36 | C40 | O9 | 53.2° | 120.0° |
| H55 | C36 | N7 | C29 | 46.5° | 35.0° |
| H55 | C36 | C40 | N8 | 127.6° | 60.0° |
| C38 | C37 | C39 | H56 | 117.7° | 120.0° |
| C37 | C38 | H57 | H58 | 120.0° | 120.0° |
| C37 | C38 | H57 | H59 | 120.0° | 120.0° |
| C37 | C38 | H58 | H59 | 120.0° | 120.0° |
| C38 | C37 | C39 | H60 | 55.6° | 60.0° |
| C38 | C37 | C39 | H61 | 175.5° | 180.0° |
| C38 | C37 | C39 | H62 | 64.5° | 60.0° |
| C39 | C37 | C38 | H57 | 55.5° | 60.0° |
| C39 | C37 | C38 | H58 | 64.6° | 60.0° |
| C39 | C37 | C38 | H59 | 175.4° | 180.0° |
| C37 | C39 | H60 | H61 | 120.0° | 120.0° |
| C37 | C39 | H60 | H62 | 120.0° | 120.0° |
| C37 | C39 | H61 | H62 | 120.0° | 120.1° |
| H56 | C37 | C38 | H57 | 62.2° | 180.0° |
| H56 | C37 | C38 | H58 | 177.7° | 60.0° |
| H56 | C37 | C38 | H59 | 57.7° | 60.0° |
| H56 | C37 | C39 | H60 | 62.1° | 180.0° |
| H56 | C37 | C39 | H61 | 57.8° | 60.0° |
| H56 | C37 | C39 | H62 | 177.8° | 60.0° |
| H57 | C38 | H58 | H59 | 120.0° | 120.0° |
| H60 | C39 | H61 | H62 | 120.0° | 119.9° |
| O9 | C40 | N8 | C43 | 11.0° | 4.4° |
| O9 | C40 | N8 | H66 | 169.0° | 175.6° |
| C42 | C44 | C45 | C43 | 179.7° | 180.0° |
| C42 | C44 | C43 | N8 | 173.5° | 171.1° |
| C42 | C44 | C43 | C41 | 6.6° | 8.9° |
| C44 | C42 | H63 | H64 | 120.0° | 119.9° |
| C44 | C42 | H63 | H65 | 120.0° | 120.0° |
| C44 | C42 | H64 | H65 | 120.0° | 120.0° |
| C42 | C44 | C45 | H67 | 180.0° | 55.0° |
| C42 | C44 | C45 | H68 | 60.0° | 174.9° |
| C42 | C44 | C45 | H69 | 60.0° | 65.0° |
| C45 | C44 | C43 | N8 | 6.9° | 8.9° |
| C45 | C44 | C43 | C41 | 173.0° | 171.1° |
| C45 | C44 | C42 | H63 | 180.0° | 94.1° |
| C45 | C44 | C42 | H64 | 60.0° | 145.9° |
| C45 | C44 | C42 | H65 | 60.0° | 25.9° |
| C44 | C45 | H67 | H68 | 120.0° | 119.9° |
| C44 | C45 | H67 | H69 | 120.0° | 120.0° |
| C44 | C45 | H68 | H69 | 120.0° | 120.0° |
| C44 | C43 | N8 | C41 | 179.9° | 180.0° |
| C44 | C43 | C41 | O10 | 31.7° | 5.4° |
| C43 | C44 | C42 | H63 | 0.3° | 85.9° |
| C43 | C44 | C42 | H64 | 120.4° | 34.1° |
| C43 | C44 | C42 | H65 | 119.7° | 154.1° |
| C44 | C43 | N8 | H66 | 65.4° | 62.7° |
| C43 | C44 | C45 | H67 | 0.3° | 125.1° |
| C43 | C44 | C45 | H68 | 119.7° | 5.1° |
| C43 | C44 | C45 | H69 | 120.3° | 114.9° |
| C44 | C43 | N8 | C40 | 114.6° | 117.3° |
| C44 | C43 | C41 | N9 | 148.7° | 174.5° |
| N8 | C43 | C41 | O10 | 148.2° | 174.6° |
| C43 | N8 | H66 | C40 | 180.0° | 180.0° |
| N8 | C43 | C41 | N9 | 31.4° | 5.5° |
| C43 | C41 | O10 | N9 | 179.6° | 180.0° |
| C41 | C43 | N8 | H66 | 114.8° | 117.3° |
| C43 | C41 | N9 | C46 | 177.2° | 177.7° |
| C43 | C41 | N9 | H70 | 2.8° | 2.3° |
| C41 | C43 | N8 | C40 | 65.2° | 62.7° |
| O10 | C41 | N9 | C46 | 2.4° | 2.4° |
| O10 | C41 | N9 | H70 | 177.6° | 177.7° |
| H63 | C42 | H64 | H65 | 120.0° | 120.0° |
| H67 | C45 | H68 | H69 | 120.0° | 120.0° |
| C46 | N9 | H70 | C41 | 180.0° | 179.9° |
| N9 | C46 | C47 | C51 | 129.7° | 119.9° |
| N9 | C46 | C47 | H71 | 115.4° | 120.1° |
| N9 | C46 | C51 | H71 | 115.2° | 120.1° |
| N9 | C46 | C47 | C48 | 61.5° | 65.1° |
| N9 | C46 | C47 | H72 | 59.2° | 175.0° |
| N9 | C46 | C47 | H73 | 177.7° | 55.0° |
| N9 | C46 | C51 | O11 | 141.1° | 0.1° |
| N9 | C46 | C51 | N13 | 41.5° | 180.0° |
| H70 | N9 | C46 | C47 | 75.4° | 95.0° |
| H70 | N9 | C46 | C51 | 54.9° | 24.9° |
| H70 | N9 | C46 | H71 | 169.6° | 145.0° |
| C47 | C46 | C51 | H71 | 114.9° | 120.0° |
| C46 | C47 | C48 | H72 | 120.7° | 119.9° |
| C46 | C47 | C48 | H73 | 120.7° | 120.0° |
| C46 | C47 | H72 | H73 | 117.7° | 120.0° |
| C46 | C47 | C48 | C49 | 177.5° | 180.0° |
| C46 | C47 | C48 | H74 | 62.4° | 60.0° |
| C46 | C47 | C48 | H75 | 57.4° | 60.0° |
| C47 | C46 | C51 | O11 | 11.2° | 120.0° |
| C47 | C46 | N9 | C41 | 104.6° | 85.1° |
| C47 | C46 | C51 | N13 | 171.4° | 60.1° |
| C51 | C46 | C47 | C48 | 68.1° | 175.0° |
| C51 | C46 | C47 | H72 | 171.1° | 55.0° |
| C51 | C46 | C47 | H73 | 52.6° | 65.0° |
| C46 | C51 | O11 | N13 | 177.2° | 179.9° |
| C46 | C51 | N13 | C52 | 170.2° | 180.0° |
| C46 | C51 | N13 | H83 | 9.7° | 0.1° |
| C51 | C46 | N9 | C41 | 125.1° | 155.0° |
| H71 | C46 | C47 | C48 | 177.0° | 55.0° |
| H71 | C46 | C47 | H72 | 56.2° | 65.0° |
| H71 | C46 | C47 | H73 | 62.3° | 175.0° |
| H71 | C46 | C51 | O11 | 103.7° | 120.0° |
| H71 | C46 | N9 | C41 | 10.4° | 35.0° |
| H71 | C46 | C51 | N13 | 73.7° | 59.9° |
| C48 | C47 | H72 | H73 | 117.8° | 120.1° |
| C47 | C48 | C49 | H74 | 120.1° | 120.0° |
| C47 | C48 | C49 | H75 | 120.1° | 120.0° |
| C47 | C48 | H74 | H75 | 119.7° | 120.0° |
| C47 | C48 | C49 | N10 | 167.9° | 180.0° |
| C47 | C48 | C49 | H76 | 71.4° | 60.0° |
| C47 | C48 | C49 | H77 | 47.3° | 60.0° |
| H72 | C47 | C48 | C49 | 56.8° | 60.0° |
| H72 | C47 | C48 | H74 | 176.9° | 180.0° |
| H72 | C47 | C48 | H75 | 63.3° | 60.0° |
| H73 | C47 | C48 | C49 | 61.7° | 60.0° |
| H73 | C47 | C48 | H74 | 58.4° | 60.0° |
| H73 | C47 | C48 | H75 | 178.2° | 180.0° |
| C49 | C48 | H74 | H75 | 119.6° | 119.9° |
| C48 | C49 | N10 | H76 | 120.7° | 120.0° |
| C48 | C49 | N10 | H77 | 120.7° | 120.0° |
| C48 | C49 | H76 | H77 | 117.9° | 119.9° |
| C48 | C49 | N10 | C50 | 62.1° | 180.0° |
| C48 | C49 | N10 | H78 | 117.9° | 0.1° |
| H74 | C48 | C49 | N10 | 47.8° | 60.0° |
| H74 | C48 | C49 | H76 | 168.5° | 180.0° |
| H74 | C48 | C49 | H77 | 72.9° | 60.0° |
| H75 | C48 | C49 | N10 | 72.0° | 60.0° |
| H75 | C48 | C49 | H76 | 48.7° | 60.0° |
| H75 | C48 | C49 | H77 | 167.4° | 180.0° |
| N10 | C49 | H76 | H77 | 117.9° | 120.0° |
| C49 | N10 | C50 | H78 | 180.0° | 179.9° |
| C49 | N10 | C50 | N11 | 30.1° | 0.0° |
| C49 | N10 | C50 | N12 | 149.7° | 180.0° |
| H76 | C49 | N10 | C50 | 177.2° | 60.0° |
| H76 | C49 | N10 | H78 | 2.8° | 120.0° |
| H77 | C49 | N10 | C50 | 58.5° | 60.0° |
| H77 | C49 | N10 | H78 | 121.5° | 120.0° |
| N10 | C50 | N11 | N12 | 179.8° | 180.0° |
| N10 | C50 | N11 | H79 | 179.8° | 0.0° |
| N10 | C50 | N11 | H80 | 0.2° | 180.0° |
| N10 | C50 | N12 | H81 | 179.8° | 0.1° |
| N10 | C50 | N12 | H82 | 0.2° | 180.0° |
| H78 | N10 | C50 | N11 | 149.9° | 179.9° |
| H78 | N10 | C50 | N12 | 30.4° | 0.1° |
| C50 | N11 | H79 | H80 | 180.0° | 180.0° |
| N11 | C50 | N12 | H81 | 0.0° | 179.9° |
| N11 | C50 | N12 | H82 | 180.0° | 0.0° |
| N12 | C50 | N11 | H79 | 0.0° | 180.0° |
| N12 | C50 | N11 | H80 | 180.0° | 0.0° |
| C50 | N12 | H81 | H82 | 180.0° | 180.0° |
| O11 | C51 | N13 | C52 | 7.1° | 0.0° |
| O11 | C51 | N13 | H83 | 172.9° | 180.0° |
| C52 | N13 | H83 | C51 | 180.0° | 180.0° |
| N13 | C52 | C53 | C54 | 126.6° | 120.0° |
| N13 | C52 | C53 | H84 | 118.0° | 120.0° |
| N13 | C52 | C54 | H84 | 116.1° | 120.0° |
| N13 | C52 | C53 | O12 | 175.7° | 7.9° |
| N13 | C52 | C54 | C55 | 61.0° | 66.3° |
| N13 | C52 | C54 | C56 | 62.9° | 53.6° |
| N13 | C52 | C54 | H85 | 179.0° | 173.6° |
| N13 | C52 | C53 | N14 | 4.8° | 172.1° |
| H83 | N13 | C52 | C53 | 108.1° | 25.0° |
| H83 | N13 | C52 | C54 | 18.9° | 95.0° |
| H83 | N13 | C52 | H84 | 134.4° | 145.0° |
| C53 | C52 | C54 | H84 | 115.5° | 120.0° |
| C52 | C53 | O12 | N14 | 179.5° | 179.9° |
| C53 | C52 | C54 | C55 | 170.6° | 173.6° |
| C53 | C52 | C54 | C56 | 65.5° | 66.4° |
| C53 | C52 | C54 | H85 | 52.6° | 53.6° |
| C52 | C53 | N14 | C57 | 167.3° | 175.3° |
| C52 | C53 | N14 | H92 | 12.7° | 4.6° |
| C53 | C52 | N13 | C51 | 71.9° | 155.0° |
| C54 | C52 | C53 | O12 | 49.1° | 112.2° |
| C52 | C54 | C55 | C56 | 124.2° | 120.0° |
| C52 | C54 | C55 | H85 | 117.9° | 120.1° |
| C52 | C54 | C56 | H85 | 118.0° | 120.0° |
| C52 | C54 | C55 | H86 | 180.0° | 67.2° |
| C52 | C54 | C55 | H87 | 60.0° | 172.7° |
| C52 | C54 | C55 | H88 | 60.0° | 52.7° |
| C52 | C54 | C56 | H89 | 180.0° | 55.2° |
| C52 | C54 | C56 | H90 | 60.0° | 175.2° |
| C52 | C54 | C56 | H91 | 60.0° | 64.8° |
| C54 | C52 | N13 | C51 | 161.1° | 85.0° |
| C54 | C52 | C53 | N14 | 131.4° | 67.9° |
| H84 | C52 | C53 | O12 | 66.4° | 127.9° |
| H84 | C52 | C54 | C55 | 55.1° | 53.7° |
| H84 | C52 | C54 | C56 | 179.0° | 173.6° |
| H84 | C52 | C54 | H85 | 62.9° | 66.4° |
| H84 | C52 | N13 | C51 | 45.6° | 35.0° |
| H84 | C52 | C53 | N14 | 113.2° | 52.0° |
| O12 | C53 | N14 | C57 | 13.2° | 4.7° |
| O12 | C53 | N14 | H92 | 166.8° | 175.4° |
| C55 | C54 | C56 | H85 | 117.9° | 120.0° |
| C54 | C55 | H86 | H87 | 120.0° | 120.0° |
| C54 | C55 | H86 | H88 | 120.0° | 119.9° |
| C54 | C55 | H87 | H88 | 120.0° | 120.0° |
| C55 | C54 | C56 | H89 | 55.9° | 175.2° |
| C55 | C54 | C56 | H90 | 64.1° | 64.8° |
| C55 | C54 | C56 | H91 | 175.9° | 55.2° |
| C56 | C54 | C55 | H86 | 55.8° | 52.7° |
| C56 | C54 | C55 | H87 | 175.8° | 67.3° |
| C56 | C54 | C55 | H88 | 64.2° | 172.7° |
| C54 | C56 | H89 | H90 | 120.0° | 120.1° |
| C54 | C56 | H89 | H91 | 120.0° | 120.0° |
| C54 | C56 | H90 | H91 | 120.0° | 120.0° |
| H85 | C54 | C55 | H86 | 62.1° | 172.7° |
| H85 | C54 | C55 | H87 | 57.9° | 52.7° |
| H85 | C54 | C55 | H88 | 177.8° | 67.4° |
| H85 | C54 | C56 | H89 | 62.1° | 64.8° |
| H85 | C54 | C56 | H90 | 177.9° | 55.2° |
| H85 | C54 | C56 | H91 | 57.9° | 175.2° |
| H86 | C55 | H87 | H88 | 120.0° | 120.0° |
| H89 | C56 | H90 | H91 | 120.0° | 119.9° |
| C57 | N14 | H92 | C53 | 180.0° | 179.9° |
| N14 | C57 | C58 | C61 | 126.8° | 120.0° |
| N14 | C57 | C58 | H93 | 117.0° | 120.1° |
| N14 | C57 | C61 | H93 | 117.7° | 120.0° |
| N14 | C57 | C58 | C59 | 54.3° | 65.7° |
| N14 | C57 | C58 | C60 | 177.9° | 174.3° |
| N14 | C57 | C58 | H94 | 64.0° | 54.3° |
| N14 | C57 | C61 | O13 | 59.3° | 27.0° |
| N14 | C57 | C61 | N15 | 120.4° | 153.0° |
| H92 | N14 | C57 | C58 | 13.3° | 87.0° |
| H92 | N14 | C57 | C61 | 113.0° | 32.9° |
| H92 | N14 | C57 | H93 | 129.8° | 152.9° |
| C58 | C57 | C61 | H93 | 116.1° | 120.0° |
| C57 | C58 | C59 | C60 | 123.9° | 120.0° |
| C57 | C58 | C59 | H94 | 118.1° | 120.0° |
| C57 | C58 | C60 | H94 | 118.0° | 120.1° |
| C57 | C58 | C59 | H95 | 180.0° | 65.6° |
| C57 | C58 | C59 | H96 | 60.0° | 174.4° |
| C57 | C58 | C59 | H97 | 60.0° | 54.5° |
| C57 | C58 | C60 | H98 | 180.0° | 63.4° |
| C57 | C58 | C60 | H99 | 60.0° | 176.6° |
| C57 | C58 | C60 | H100 | 60.0° | 56.5° |
| C58 | C57 | C61 | O13 | 66.9° | 93.0° |
| C58 | C57 | N14 | C53 | 166.6° | 92.9° |
| C58 | C57 | C61 | N15 | 113.4° | 87.0° |
| C61 | C57 | C58 | C59 | 178.9° | 174.2° |
| C61 | C57 | C58 | C60 | 55.3° | 54.3° |
| C61 | C57 | C58 | H94 | 62.8° | 65.7° |
| C57 | C61 | O13 | N15 | 179.6° | 180.0° |
| C57 | C61 | N15 | C62 | 162.7° | 175.4° |
| C57 | C61 | N15 | H101 | 17.3° | 4.6° |
| C61 | C57 | N14 | C53 | 67.0° | 147.2° |
| H93 | C57 | C58 | C59 | 62.8° | 54.3° |
| H93 | C57 | C58 | C60 | 60.9° | 65.6° |
| H93 | C57 | C58 | H94 | 179.0° | 174.3° |
| H93 | C57 | C61 | O13 | 177.0° | 147.0° |
| H93 | C57 | N14 | C53 | 50.2° | 27.2° |
| H93 | C57 | C61 | N15 | 2.7° | 33.0° |
| C59 | C58 | C60 | H94 | 118.0° | 120.0° |
| C58 | C59 | H95 | H96 | 120.0° | 120.0° |
| C58 | C59 | H95 | H97 | 120.0° | 120.0° |
| C58 | C59 | H96 | H97 | 120.0° | 119.9° |
| C59 | C58 | C60 | H98 | 56.0° | 176.7° |
| C59 | C58 | C60 | H99 | 64.0° | 56.6° |
| C59 | C58 | C60 | H100 | 176.0° | 63.4° |
| C60 | C58 | C59 | H95 | 56.1° | 54.4° |
| C60 | C58 | C59 | H96 | 176.0° | 65.6° |
| C60 | C58 | C59 | H97 | 63.9° | 174.5° |
| C58 | C60 | H98 | H99 | 120.0° | 120.1° |
| C58 | C60 | H98 | H100 | 120.0° | 120.0° |
| C58 | C60 | H99 | H100 | 120.0° | 120.1° |
| H94 | C58 | C59 | H95 | 61.9° | 174.4° |
| H94 | C58 | C59 | H96 | 58.0° | 54.4° |
| H94 | C58 | C59 | H97 | 178.1° | 65.5° |
| H94 | C58 | C60 | H98 | 62.0° | 56.7° |
| H94 | C58 | C60 | H99 | 178.0° | 63.4° |
| H94 | C58 | C60 | H100 | 58.0° | 176.6° |
| H95 | C59 | H96 | H97 | 120.0° | 120.1° |
| H98 | C60 | H99 | H100 | 120.0° | 119.9° |
| O13 | C61 | N15 | C62 | 17.7° | 4.6° |
| O13 | C61 | N15 | H101 | 162.3° | 175.4° |
| O14 | C63 | C62 | N16 | 177.2° | 179.9° |
| O14 | C63 | C62 | C64 | 65.8° | 90.9° |
| O14 | C63 | C62 | N15 | 115.9° | 89.2° |
| O14 | C63 | N16 | C68 | 24.0° | 4.9° |
| O14 | C63 | N16 | H110 | 156.0° | 175.0° |
| C63 | C62 | C64 | C65 | 15.0° | 5.8° |
| C63 | C62 | C64 | N15 | 178.2° | 180.0° |
| C63 | C62 | C64 | C66 | 164.3° | 174.2° |
| C63 | C62 | N15 | H101 | 113.9° | 174.5° |
| C62 | C63 | N16 | C68 | 158.9° | 175.0° |
| C62 | C63 | N16 | H110 | 21.1° | 5.1° |
| C63 | C62 | N15 | C61 | 66.1° | 5.5° |
| C67 | C65 | C64 | H102 | 120.6° | 120.0° |
| C67 | C65 | C64 | H103 | 120.7° | 120.0° |
| C67 | C65 | C64 | C62 | 115.0° | 96.1° |
| C67 | C65 | C64 | C66 | 64.4° | 84.0° |
| C67 | C65 | H102 | H103 | 118.1° | 120.0° |
| C65 | C67 | H107 | H108 | 120.0° | 120.0° |
| C65 | C67 | H107 | H109 | 120.0° | 120.0° |
| C65 | C67 | H108 | H109 | 120.0° | 119.9° |
| C65 | C64 | C62 | C66 | 179.3° | 179.9° |
| C65 | C64 | C62 | N15 | 163.2° | 174.2° |
| C64 | C65 | H102 | H103 | 118.1° | 120.0° |
| C65 | C64 | C66 | H104 | 180.0° | 174.8° |
| C65 | C64 | C66 | H105 | 60.0° | 54.8° |
| C65 | C64 | C66 | H106 | 60.0° | 65.2° |
| C64 | C65 | C67 | H107 | 180.0° | 180.0° |
| C64 | C65 | C67 | H108 | 60.0° | 60.0° |
| C64 | C65 | C67 | H109 | 60.0° | 60.0° |
| C64 | C62 | N15 | H101 | 64.4° | 5.5° |
| C62 | C64 | C65 | H102 | 5.6° | 143.9° |
| C62 | C64 | C65 | H103 | 124.3° | 23.9° |
| C62 | C64 | C66 | H104 | 0.6° | 5.1° |
| C62 | C64 | C66 | H105 | 120.6° | 125.1° |
| C62 | C64 | C66 | H106 | 119.4° | 114.9° |
| C64 | C62 | N15 | C61 | 115.6° | 174.5° |
| C64 | C62 | C63 | N16 | 111.4° | 89.1° |
| N15 | C62 | C64 | C66 | 17.4° | 5.7° |
| C62 | N15 | H101 | C61 | 180.0° | 180.0° |
| N15 | C62 | C63 | N16 | 66.9° | 90.9° |
| C66 | C64 | C65 | H102 | 175.0° | 36.1° |
| C66 | C64 | C65 | H103 | 56.3° | 156.0° |
| C64 | C66 | H104 | H105 | 120.0° | 120.0° |
| C64 | C66 | H104 | H106 | 120.0° | 120.0° |
| C64 | C66 | H105 | H106 | 120.0° | 119.9° |
| H102 | C65 | C67 | H107 | 59.4° | 60.0° |
| H102 | C65 | C67 | H108 | 60.6° | 180.0° |
| H102 | C65 | C67 | H109 | 179.4° | 60.0° |
| H103 | C65 | C67 | H107 | 59.4° | 60.0° |
| H103 | C65 | C67 | H108 | 179.3° | 60.0° |
| H103 | C65 | C67 | H109 | 60.7° | 180.0° |
| H104 | C66 | H105 | H106 | 120.0° | 120.1° |
| H107 | C67 | H108 | H109 | 120.0° | 120.0° |
| C68 | N16 | H110 | C63 | 180.0° | 179.9° |
| N16 | C68 | C69 | C70 | 125.4° | 120.0° |
| N16 | C68 | C69 | H111 | 117.9° | 119.9° |
| N16 | C68 | C70 | H111 | 119.4° | 120.0° |
| N16 | C68 | C69 | H112 | 180.0° | 180.0° |
| N16 | C68 | C69 | H113 | 60.0° | 60.1° |
| N16 | C68 | C69 | H114 | 60.0° | 60.0° |
| N16 | C68 | C70 | O15 | 123.6° | 0.0° |
| N16 | C68 | C70 | N17 | 55.4° | 180.0° |
| H110 | N16 | C68 | C69 | 0.7° | 95.1° |
| H110 | N16 | C68 | C70 | 123.0° | 24.9° |
| H110 | N16 | C68 | H111 | 118.1° | 145.0° |
| C69 | C68 | C70 | H111 | 116.8° | 120.0° |
| C68 | C69 | H112 | H113 | 120.0° | 119.9° |
| C68 | C69 | H112 | H114 | 120.0° | 120.0° |
| C68 | C69 | H113 | H114 | 120.0° | 120.0° |
| C69 | C68 | C70 | O15 | 112.6° | 120.0° |
| C69 | C68 | N16 | C63 | 179.3° | 85.0° |
| C69 | C68 | C70 | N17 | 68.5° | 60.0° |
| C70 | C68 | C69 | H112 | 54.6° | 60.0° |
| C70 | C68 | C69 | H113 | 65.4° | 59.9° |
| C70 | C68 | C69 | H114 | 174.6° | 180.0° |
| C68 | C70 | O15 | N17 | 178.9° | 180.0° |
| C68 | C70 | N17 | C71 | 151.2° | 180.0° |
| C68 | C70 | N17 | H115 | 28.8° | 0.1° |
| C70 | C68 | N16 | C63 | 57.0° | 155.0° |
| H111 | C68 | C69 | H112 | 62.1° | 60.1° |
| H111 | C68 | C69 | H113 | 177.9° | NaN° |
| H111 | C68 | C69 | H114 | 57.9° | 60.0° |
| H111 | C68 | C70 | O15 | 4.2° | 120.0° |
| H111 | C68 | N16 | C63 | 61.9° | 34.9° |
| H111 | C68 | C70 | N17 | 174.8° | 60.0° |
| H112 | C69 | H113 | H114 | 120.0° | 120.1° |
| O15 | C70 | N17 | C71 | 29.9° | 0.1° |
| O15 | C70 | N17 | H115 | 150.1° | 180.0° |
| N17 | C71 | C72 | C75 | 127.4° | 120.0° |
| N17 | C71 | C72 | H116 | 116.8° | 120.0° |
| N17 | C71 | C75 | H116 | 117.5° | 120.0° |
| N17 | C71 | C72 | C73 | 44.2° | 63.0° |
| N17 | C71 | C72 | C74 | 168.4° | 57.1° |
| N17 | C71 | C72 | O16 | 73.7° | 177.0° |
| N17 | C71 | C75 | O17 | 113.9° | 12.0° |
| C71 | N17 | H115 | C70 | 180.0° | 179.9° |
| N17 | C71 | C75 | N18 | 69.6° | 168.1° |
| C72 | C71 | C75 | H116 | 115.8° | 120.0° |
| C71 | C72 | C73 | C74 | 123.7° | 120.0° |
| C71 | C72 | C73 | O16 | 118.8° | 120.0° |
| C71 | C72 | C74 | O16 | 118.8° | 120.0° |
| C72 | C71 | C75 | O17 | 12.8° | 108.1° |
| C72 | C71 | N17 | H115 | 112.1° | 95.0° |
| C71 | C72 | C73 | H117 | 180.0° | 60.0° |
| C71 | C72 | C73 | H118 | 60.0° | 180.0° |
| C71 | C72 | C73 | H119 | 60.0° | 60.0° |
| C71 | C72 | C74 | H120 | 180.0° | 59.3° |
| C71 | C72 | C74 | H121 | 60.0° | 179.4° |
| C71 | C72 | C74 | H122 | 60.0° | 60.7° |
| C71 | C72 | O16 | H123 | 42.5° | 180.0° |
| C72 | C71 | N17 | C70 | 67.8° | 85.0° |
| C72 | C71 | C75 | N18 | 163.7° | 71.9° |
| C75 | C71 | C72 | C73 | 171.7° | 57.0° |
| C75 | C71 | C72 | C74 | 64.2° | 177.1° |
| C75 | C71 | C72 | O16 | 53.7° | 63.0° |
| C71 | C75 | O17 | N18 | 176.4° | 179.9° |
| C75 | C71 | N17 | H115 | 121.2° | 25.1° |
| C71 | C75 | N18 | C76 | 51.7° | 174.9° |
| C71 | C75 | N18 | H124 | 128.3° | 5.1° |
| C75 | C71 | N17 | C70 | 58.8° | 155.0° |
| C73 | C72 | C74 | O16 | 117.5° | 120.0° |
| C73 | C72 | C71 | H116 | 72.6° | 177.0° |
| C72 | C73 | H117 | H118 | 120.0° | 120.0° |
| C72 | C73 | H117 | H119 | 120.0° | 120.0° |
| C72 | C73 | H118 | H119 | 120.0° | 120.0° |
| C73 | C72 | C74 | H120 | 56.2° | 179.4° |
| C73 | C72 | C74 | H121 | 63.8° | 60.6° |
| C73 | C72 | C74 | H122 | 176.2° | 59.4° |
| C73 | C72 | O16 | H123 | 77.6° | 60.0° |
| C74 | C72 | C71 | H116 | 51.5° | 63.0° |
| C74 | C72 | C73 | H117 | 56.2° | 60.0° |
| C74 | C72 | C73 | H118 | 176.3° | 60.0° |
| C74 | C72 | C73 | H119 | 63.7° | 180.0° |
| C72 | C74 | H120 | H121 | 120.0° | 120.0° |
| C72 | C74 | H120 | H122 | 120.0° | 120.0° |
| C72 | C74 | H121 | H122 | 120.0° | 119.9° |
| C74 | C72 | O16 | H123 | 162.4° | 60.0° |
| O16 | C72 | C71 | H116 | 169.5° | 57.0° |
| O16 | C72 | C73 | H117 | 61.2° | 180.0° |
| O16 | C72 | C73 | H118 | 58.8° | 60.0° |
| O16 | C72 | C73 | H119 | 178.8° | 60.0° |
| O16 | C72 | C74 | H120 | 61.2° | 60.6° |
| O16 | C72 | C74 | H121 | 178.8° | 59.4° |
| O16 | C72 | C74 | H122 | 58.8° | 179.4° |
| O17 | C75 | C71 | H116 | 128.6° | 132.0° |
| O17 | C75 | N18 | C76 | 124.8° | 5.0° |
| O17 | C75 | N18 | H124 | 55.2° | 175.0° |
| H115 | N17 | C71 | H116 | 4.3° | 145.1° |
| H116 | C71 | N17 | C70 | 175.8° | 35.0° |
| H116 | C71 | C75 | N18 | 47.9° | 48.1° |
| H117 | C73 | H118 | H119 | 120.0° | 120.1° |
| H120 | C74 | H121 | H122 | 120.0° | 120.0° |
| C76 | N18 | H124 | C75 | 180.0° | 179.9° |
| N18 | C76 | C77 | H125 | 120.5° | 120.1° |
| N18 | C76 | C77 | H126 | 120.5° | 120.0° |
| N18 | C76 | H125 | H126 | 118.5° | 120.0° |
| N18 | C76 | C77 | C78 | 56.9° | 180.0° |
| N18 | C76 | C77 | H127 | 63.5° | 59.9° |
| N18 | C76 | C77 | H128 | 177.5° | 60.0° |
| H124 | N18 | C76 | C77 | 119.6° | 0.0° |
| H124 | N18 | C76 | H125 | 120.0° | 120.0° |
| H124 | N18 | C76 | H126 | 0.9° | 120.0° |
| C77 | C76 | H125 | H126 | 118.6° | 119.9° |
| C76 | C77 | C78 | H127 | 120.5° | 120.0° |
| C76 | C77 | C78 | H128 | 120.5° | 120.0° |
| C76 | C77 | H127 | H128 | 118.4° | 120.0° |
| C76 | C77 | C78 | C79 | 176.4° | 180.0° |
| C76 | C77 | C78 | H129 | 55.8° | 60.0° |
| C76 | C77 | C78 | H130 | 63.1° | 60.0° |
| C77 | C76 | N18 | C75 | 60.5° | 180.0° |
| H125 | C76 | C77 | C78 | 177.4° | 60.0° |
| H125 | C76 | C77 | H127 | 56.9° | 180.0° |
| H125 | C76 | C77 | H128 | 62.1° | 60.0° |
| H125 | C76 | N18 | C75 | 60.0° | 59.9° |
| H126 | C76 | C77 | C78 | 63.5° | 60.0° |
| H126 | C76 | C77 | H127 | 176.0° | 60.0° |
| H126 | C76 | C77 | H128 | 57.0° | 180.0° |
| H126 | C76 | N18 | C75 | 179.0° | 60.1° |
| C78 | C77 | H127 | H128 | 118.5° | 120.0° |
| C77 | C78 | C79 | H129 | 120.6° | 120.0° |
| C77 | C78 | C79 | H130 | 120.6° | 120.0° |
| C77 | C78 | H129 | H130 | 118.3° | 120.0° |
| C77 | C78 | C79 | N19 | 61.8° | 180.0° |
| C77 | C78 | C79 | H131 | 177.4° | 60.0° |
| C77 | C78 | C79 | H132 | 59.0° | 60.0° |
| H127 | C77 | C78 | C79 | 63.2° | 60.0° |
| H127 | C77 | C78 | H129 | 176.3° | 180.0° |
| H127 | C77 | C78 | H130 | 57.4° | 60.0° |
| H128 | C77 | C78 | C79 | 55.9° | 60.0° |
| H128 | C77 | C78 | H129 | 64.7° | 60.0° |
| H128 | C77 | C78 | H130 | 176.4° | 180.0° |
| C79 | C78 | H129 | H130 | 118.3° | 120.0° |
| C78 | C79 | N19 | H131 | 120.8° | 120.0° |
| C78 | C79 | N19 | H132 | 120.8° | 120.0° |
| C78 | C79 | H131 | H132 | 117.6° | 120.0° |
| C78 | C79 | N19 | C80 | 176.0° | 180.0° |
| C78 | C79 | N19 | H133 | 4.0° | 0.0° |
| H129 | C78 | C79 | N19 | 58.8° | 60.0° |
| H129 | C78 | C79 | H131 | 62.0° | 180.0° |
| H129 | C78 | C79 | H132 | 179.6° | 60.0° |
| H130 | C78 | C79 | N19 | 177.6° | 60.0° |
| H130 | C78 | C79 | H131 | 56.8° | 60.0° |
| H130 | C78 | C79 | H132 | 61.6° | 180.0° |
| N19 | C79 | H131 | H132 | 117.6° | 120.0° |
| C79 | N19 | C80 | H133 | 180.0° | 180.0° |
| C79 | N19 | C80 | N20 | 88.4° | 180.0° |
| C79 | N19 | C80 | N21 | 92.7° | 0.0° |
| H131 | C79 | N19 | C80 | 55.2° | 60.0° |
| H131 | C79 | N19 | H133 | 124.8° | 120.0° |
| H132 | C79 | N19 | C80 | 63.2° | 60.0° |
| H132 | C79 | N19 | H133 | 116.8° | 120.0° |
| N19 | C80 | N20 | N21 | 178.9° | 180.0° |
| N19 | C80 | N20 | H134 | 179.0° | 180.0° |
| N19 | C80 | N21 | H135 | 178.9° | 0.0° |
| N19 | C80 | N21 | H136 | 1.1° | 180.0° |
| H133 | N19 | C80 | N20 | 91.6° | 0.0° |
| H133 | N19 | C80 | N21 | 87.3° | 180.0° |
| N20 | C80 | N21 | H135 | 0.0° | 180.0° |
| N20 | C80 | N21 | H136 | 180.0° | 0.0° |
| N21 | C80 | N20 | H134 | 0.0° | 0.1° |
| C80 | N21 | H135 | H136 | 180.0° | 180.0° |
