PRD_002295
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| C3 | S1 | sing | 1.81Å | 1.76Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| S1 | H6 | sing | 1.34Å | 1.30Å | |
| N2 | C4 | sing | 1.47Å | 1.45Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.17Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | N3 | sing | 1.47Å | 1.49Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | H17 | sing | 1.01Å | 1.00Å | |
| N3 | H18 | sing | 1.01Å | 1.00Å | |
| N3 | H19 | sing | 1.01Å | 1.00Å | |
| N4 | C10 | sing | 1.47Å | 1.45Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.24Å | |
| C14 | N5 | sing | 1.35Å | 1.32Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| N6 | C15 | sing | 1.46Å | 1.45Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.51Å | 1.47Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.22Å | 1.23Å | |
| N7 | C18 | sing | 1.47Å | 1.45Å | |
| N7 | H32 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.19Å | |
| C20 | S2 | sing | 1.81Å | 1.83Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| N8 | C21 | sing | 1.46Å | 1.47Å | |
| N8 | H36 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.50Å | 1.49Å | |
| C21 | C23 | sing | 1.52Å | 1.50Å | |
| C21 | H37 | sing | 1.11Å | 1.10Å | |
| C22 | O7 | doub | 1.24Å | 1.24Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| N9 | C24 | sing | 1.45Å | 1.45Å | |
| N9 | H41 | sing | 1.00Å | 1.00Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | O8 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.51Å | 1.49Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H45 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | H46 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | H47 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H48 | sing | 1.08Å | 1.08Å | |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| N10 | C33 | sing | 1.46Å | 1.47Å | |
| N10 | H50 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.47Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | O9 | doub | 1.21Å | 1.22Å | |
| N11 | C35 | sing | 1.46Å | 1.42Å | |
| N11 | C39 | sing | 1.46Å | 1.47Å | |
| C35 | C36 | sing | 1.51Å | 1.49Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | O10 | doub | 1.21Å | 1.21Å | |
| C37 | C38 | sing | 1.54Å | 1.48Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.49Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| N12 | C40 | sing | 1.46Å | 1.45Å | |
| N12 | H60 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.57Å | |
| C40 | C42 | sing | 1.53Å | 1.51Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | O11 | doub | 1.21Å | 1.27Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | doub | 1.38Å | 1.36Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C46 | sing | 1.38Å | 1.37Å | Aromatic |
| C44 | H64 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | H65 | sing | 1.08Å | 1.08Å | |
| C46 | C48 | doub | 1.38Å | 1.37Å | Aromatic |
| C46 | H66 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.38Å | 1.35Å | Aromatic |
| C47 | H67 | sing | 1.08Å | 1.08Å | |
| C48 | H68 | sing | 1.08Å | 1.08Å | |
| N13 | C49 | sing | 1.46Å | 1.48Å | |
| C49 | C50 | sing | 1.51Å | 1.49Å | |
| C49 | C51 | sing | 1.53Å | 1.52Å | |
| C50 | O12 | doub | 1.22Å | 1.19Å | |
| C51 | C52 | sing | 1.53Å | 1.50Å | |
| N13 | H69 | sing | 0.97Å | 1.00Å | |
| C49 | H70 | sing | 1.10Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C52 | H73 | sing | 1.09Å | 1.10Å | |
| C52 | H74 | sing | 1.09Å | 1.10Å | |
| N14 | C53 | sing | 1.46Å | 1.50Å | |
| N14 | H75 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.54Å | |
| C53 | C55 | sing | 1.53Å | 1.53Å | |
| C53 | H76 | sing | 1.09Å | 1.10Å | |
| C54 | O13 | doub | 1.22Å | 1.19Å | |
| C55 | C56 | sing | 1.51Å | 1.48Å | |
| C55 | H77 | sing | 1.09Å | 1.10Å | |
| C55 | H78 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | doub | 1.38Å | 1.33Å | Aromatic |
| C56 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
| C57 | C59 | sing | 1.38Å | 1.37Å | Aromatic |
| C57 | H79 | sing | 1.08Å | 1.08Å | |
| C58 | C60 | doub | 1.38Å | 1.37Å | Aromatic |
| C58 | H80 | sing | 1.08Å | 1.08Å | |
| C59 | C61 | doub | 1.38Å | 1.34Å | Aromatic |
| C59 | H81 | sing | 1.08Å | 1.08Å | |
| C60 | C61 | sing | 1.38Å | 1.37Å | Aromatic |
| C60 | H82 | sing | 1.08Å | 1.08Å | |
| C61 | H83 | sing | 1.08Å | 1.08Å | |
| N15 | C62 | sing | 1.46Å | 1.46Å | |
| N15 | H84 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.50Å | 1.54Å | |
| C62 | C64 | sing | 1.53Å | 1.53Å | |
| C62 | H85 | sing | 1.11Å | 1.10Å | |
| C63 | O14 | doub | 1.23Å | 1.27Å | |
| C64 | C65 | sing | 1.53Å | 1.55Å | |
| C64 | C66 | sing | 1.53Å | 1.50Å | |
| C64 | H86 | sing | 1.09Å | 1.10Å | |
| C65 | H87 | sing | 1.09Å | 1.10Å | |
| C65 | H88 | sing | 1.09Å | 1.10Å | |
| C65 | H89 | sing | 1.09Å | 1.10Å | |
| C66 | H90 | sing | 1.09Å | 1.10Å | |
| C66 | H91 | sing | 1.09Å | 1.10Å | |
| C66 | H92 | sing | 1.09Å | 1.10Å | |
| N16 | C67 | sing | 1.46Å | 1.46Å | |
| N16 | H93 | sing | 0.99Å | 1.00Å | |
| C67 | C68 | sing | 1.51Å | 1.54Å | |
| C67 | C69 | sing | 1.53Å | 1.53Å | |
| C67 | H94 | sing | 1.09Å | 1.10Å | |
| C68 | O15 | doub | 1.21Å | 1.28Å | |
| C69 | S3 | sing | 1.81Å | 1.80Å | |
| C69 | H95 | sing | 1.09Å | 1.10Å | |
| C69 | H96 | sing | 1.09Å | 1.10Å | |
| C70 | O16 | doub | 1.21Å | 1.26Å | |
| C70 | C71 | sing | 1.51Å | 1.47Å | |
| N17 | C71 | sing | 1.46Å | 1.42Å | |
| N17 | H100 | sing | 0.97Å | 1.00Å | |
| C71 | C72 | sing | 1.53Å | 1.49Å | |
| C71 | H97 | sing | 1.09Å | 1.10Å | |
| C72 | H98 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.51Å | 1.53Å | |
| O17 | C72 | sing | 1.43Å | 1.43Å | |
| C73 | O19 | doub | 1.21Å | 1.26Å | |
| C73 | O18 | sing | 1.34Å | 1.28Å | |
| O18 | H101 | sing | 0.97Å | 0.95Å | |
| H99 | O17 | sing | 0.97Å | 0.95Å | |
| N18 | C74 | sing | 1.46Å | 1.42Å | |
| N18 | H102 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.47Å | |
| C74 | H103 | sing | 1.09Å | 1.10Å | |
| C74 | H104 | sing | 1.09Å | 1.10Å | |
| C75 | O20 | doub | 1.21Å | 1.20Å | |
| N19 | C76 | sing | 1.46Å | 1.43Å | |
| N19 | H105 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.51Å | 1.52Å | |
| C76 | C78 | sing | 1.53Å | 1.52Å | |
| C76 | H106 | sing | 1.09Å | 1.10Å | |
| C77 | O21 | doub | 1.21Å | 1.20Å | |
| C78 | C79 | sing | 1.51Å | 1.50Å | |
| C78 | H107 | sing | 1.09Å | 1.10Å | |
| C78 | H108 | sing | 1.09Å | 1.10Å | |
| C79 | O22 | doub | 1.21Å | 1.18Å | |
| C79 | N20 | sing | 1.35Å | 1.29Å | |
| N20 | H109 | sing | 0.97Å | 1.00Å | |
| N20 | H110 | sing | 0.97Å | 1.00Å | |
| N21 | C80 | sing | 1.46Å | 1.46Å | |
| C80 | C81 | sing | 1.51Å | 1.49Å | |
| C80 | C82 | sing | 1.53Å | 1.54Å | |
| C81 | O23 | doub | 1.21Å | 1.21Å | |
| C82 | C83 | sing | 1.53Å | 1.53Å | |
| N21 | H111 | sing | 0.97Å | 1.00Å | |
| C80 | H112 | sing | 1.09Å | 1.10Å | |
| C82 | H113 | sing | 1.09Å | 1.10Å | |
| C82 | H114 | sing | 1.09Å | 1.10Å | |
| C83 | H115 | sing | 1.09Å | 1.10Å | |
| C83 | H116 | sing | 1.09Å | 1.10Å | |
| C83 | H117 | sing | 1.09Å | 1.10Å | |
| N22 | C84 | sing | 1.47Å | 1.43Å | |
| N22 | H118 | sing | 0.97Å | 1.00Å | |
| C84 | C85 | sing | 1.51Å | 1.52Å | |
| C84 | C86 | sing | 1.53Å | 1.49Å | |
| C84 | H119 | sing | 1.09Å | 1.10Å | |
| C85 | O24 | doub | 1.21Å | 1.18Å | |
| C85 | O25 | sing | 1.34Å | 1.21Å | |
| C86 | C87 | sing | 1.53Å | 1.52Å | |
| C86 | H120 | sing | 1.09Å | 1.10Å | |
| C86 | H121 | sing | 1.09Å | 1.10Å | |
| C87 | C88 | sing | 1.53Å | 1.51Å | |
| C87 | H122 | sing | 1.09Å | 1.10Å | |
| C87 | H123 | sing | 1.09Å | 1.10Å | |
| C88 | C89 | sing | 1.53Å | 1.49Å | |
| C88 | H124 | sing | 1.09Å | 1.10Å | |
| C88 | H125 | sing | 1.09Å | 1.10Å | |
| C89 | N23 | sing | 1.47Å | 1.46Å | |
| C89 | H126 | sing | 1.09Å | 1.10Å | |
| C89 | H127 | sing | 1.09Å | 1.10Å | |
| N23 | H128 | sing | 1.01Å | 1.00Å | |
| N23 | H129 | sing | 1.01Å | 1.00Å | |
| N23 | H130 | sing | 1.01Å | 1.00Å | |
| O25 | H131 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C5 | N4 | sing | 1.35Å | 1.33Å | |
| C11 | N6 | sing | 1.35Å | 1.32Å | |
| C17 | N7 | sing | 1.34Å | 1.34Å | |
| C16 | S3 | sing | 1.81Å | 2.09Å | |
| S2 | C51 | sing | 1.81Å | 1.96Å | |
| C19 | N8 | sing | 1.35Å | 1.33Å | |
| C22 | N9 | sing | 1.33Å | 1.31Å | |
| C25 | N10 | sing | 1.35Å | 1.32Å | |
| C34 | N11 | sing | 1.35Å | 1.33Å | |
| C36 | N12 | sing | 1.35Å | 1.34Å | |
| C41 | N13 | sing | 1.35Å | 1.35Å | |
| C50 | N14 | sing | 1.35Å | 1.28Å | |
| C54 | N15 | sing | 1.35Å | 1.32Å | |
| C63 | N16 | sing | 1.33Å | 1.33Å | |
| C68 | N17 | sing | 1.35Å | 1.42Å | |
| C70 | N18 | sing | 1.35Å | 1.56Å | |
| C75 | N19 | sing | 1.35Å | 1.31Å | |
| C77 | N21 | sing | 1.35Å | 1.22Å | |
| C81 | N22 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | C2 | 107.1° | 109.5° |
| N1 | C1 | C3 | 107.4° | 109.4° |
| N1 | C1 | H3 | 112.0° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 108.8° | 109.5° |
| C2 | C1 | H3 | 110.7° | 109.5° |
| C1 | C2 | O1 | 120.1° | 120.0° |
| C1 | C2 | N2 | 116.2° | 120.0° |
| C3 | C1 | H3 | 110.7° | 109.5° |
| C1 | C3 | S1 | 118.2° | 109.5° |
| C1 | C3 | H4 | 107.2° | 109.5° |
| C1 | C3 | H5 | 107.2° | 109.5° |
| O1 | C2 | N2 | 123.7° | 120.0° |
| S1 | C3 | H4 | 107.3° | 109.5° |
| S1 | C3 | H5 | 107.3° | 109.4° |
| C3 | S1 | H6 | 102.0° | 103.0° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C4 | N2 | H7 | 118.6° | 120.0° |
| N2 | C4 | C5 | 115.1° | 109.5° |
| N2 | C4 | C6 | 111.4° | 109.5° |
| N2 | C4 | H8 | 107.6° | 109.4° |
| C4 | N2 | C2 | 122.8° | 120.0° |
| H7 | N2 | C2 | 118.6° | 120.0° |
| C5 | C4 | C6 | 109.2° | 109.5° |
| C5 | C4 | H8 | 106.7° | 109.5° |
| C4 | C5 | O2 | 120.9° | 120.0° |
| C4 | C5 | N4 | 114.3° | 120.0° |
| C6 | C4 | H8 | 106.4° | 109.5° |
| C4 | C6 | C7 | 116.7° | 109.5° |
| C4 | C6 | H9 | 107.6° | 109.4° |
| C4 | C6 | H10 | 107.6° | 109.4° |
| O2 | C5 | N4 | 124.8° | 120.0° |
| C7 | C6 | H9 | 107.7° | 109.5° |
| C7 | C6 | H10 | 107.6° | 109.5° |
| C6 | C7 | C8 | 113.3° | 109.5° |
| C6 | C7 | H11 | 108.5° | 109.5° |
| C6 | C7 | H12 | 108.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| C8 | C7 | H11 | 108.5° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.5° |
| C7 | C8 | C9 | 113.5° | 109.5° |
| C7 | C8 | H13 | 108.4° | 109.5° |
| C7 | C8 | H14 | 108.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C9 | C8 | H13 | 108.5° | 109.5° |
| C9 | C8 | H14 | 108.5° | 109.5° |
| C8 | C9 | N3 | 115.8° | 109.5° |
| C8 | C9 | H15 | 107.8° | 109.4° |
| C8 | C9 | H16 | 107.8° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| N3 | C9 | H15 | 107.9° | 109.5° |
| N3 | C9 | H16 | 107.9° | 109.5° |
| C9 | N3 | H17 | 109.5° | 109.5° |
| C9 | N3 | H18 | 109.4° | 109.5° |
| C9 | N3 | H19 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | N3 | H18 | 109.5° | 109.5° |
| H17 | N3 | H19 | 109.4° | 109.5° |
| H18 | N3 | H19 | 109.5° | 109.4° |
| C10 | N4 | H20 | 117.5° | 120.0° |
| N4 | C10 | C11 | 109.0° | 109.5° |
| N4 | C10 | C12 | 111.3° | 109.5° |
| N4 | C10 | H21 | 110.6° | 109.4° |
| C10 | N4 | C5 | 125.0° | 120.0° |
| H20 | N4 | C5 | 117.5° | 120.0° |
| C11 | C10 | C12 | 106.6° | 109.5° |
| C11 | C10 | H21 | 109.7° | 109.5° |
| C10 | C11 | O3 | 120.6° | 120.0° |
| C10 | C11 | N6 | 115.0° | 120.0° |
| C12 | C10 | H21 | 109.5° | 109.5° |
| C10 | C12 | C13 | 118.3° | 109.5° |
| C10 | C12 | H22 | 107.2° | 109.5° |
| C10 | C12 | H23 | 107.2° | 109.4° |
| O3 | C11 | N6 | 124.1° | 120.0° |
| C13 | C12 | H22 | 107.2° | 109.5° |
| C13 | C12 | H23 | 107.2° | 109.5° |
| C12 | C13 | C14 | 110.7° | 109.4° |
| C12 | C13 | H24 | 109.2° | 109.5° |
| C12 | C13 | H25 | 109.2° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| C14 | C13 | H24 | 109.2° | 109.5° |
| C14 | C13 | H25 | 109.2° | 109.5° |
| C13 | C14 | O4 | 122.2° | 120.0° |
| C13 | C14 | N5 | 115.3° | 120.0° |
| H24 | C13 | H25 | 109.4° | 109.5° |
| O4 | C14 | N5 | 122.5° | 120.0° |
| C14 | N5 | H26 | 120.0° | 120.0° |
| C14 | N5 | H27 | 120.0° | 120.0° |
| H26 | N5 | H27 | 120.0° | 120.0° |
| C15 | N6 | H28 | 119.8° | 120.0° |
| N6 | C15 | C16 | 107.9° | 109.6° |
| N6 | C15 | C17 | 113.5° | 110.9° |
| N6 | C15 | H29 | 107.1° | 109.3° |
| C15 | N6 | C11 | 120.3° | 120.0° |
| H28 | N6 | C11 | 119.8° | 120.0° |
| C16 | C15 | C17 | 114.8° | 109.1° |
| C16 | C15 | H29 | 106.2° | 108.7° |
| C15 | C16 | H30 | 110.4° | 109.1° |
| C15 | C16 | H31 | 110.4° | 109.9° |
| C15 | C16 | S3 | 105.8° | 109.6° |
| C17 | C15 | H29 | 106.8° | 109.3° |
| C15 | C17 | O5 | 121.2° | 118.5° |
| C15 | C17 | N7 | 114.7° | 122.3° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H30 | C16 | S3 | 110.4° | 109.1° |
| H31 | C16 | S3 | 110.4° | 109.6° |
| O5 | C17 | N7 | 124.1° | 119.2° |
| C18 | N7 | H32 | 119.1° | 118.6° |
| N7 | C18 | C19 | 111.7° | 109.4° |
| N7 | C18 | C20 | 112.1° | 109.3° |
| N7 | C18 | H33 | 108.5° | 109.5° |
| C18 | N7 | C17 | 121.8° | 120.2° |
| H32 | N7 | C17 | 119.1° | 121.2° |
| C19 | C18 | C20 | 109.4° | 109.5° |
| C19 | C18 | H33 | 107.4° | 110.0° |
| C18 | C19 | O6 | 120.4° | 120.1° |
| C18 | C19 | N8 | 116.1° | 119.6° |
| C20 | C18 | H33 | 107.6° | 109.2° |
| C18 | C20 | S2 | 113.1° | 109.7° |
| C18 | C20 | H34 | 108.6° | 109.4° |
| C18 | C20 | H35 | 108.5° | 109.5° |
| O6 | C19 | N8 | 123.5° | 120.3° |
| S2 | C20 | H34 | 108.5° | 109.8° |
| S2 | C20 | H35 | 108.6° | 109.5° |
| C20 | S2 | C51 | 102.9° | 103.3° |
| H34 | C20 | H35 | 109.5° | 108.9° |
| C21 | N8 | H36 | 118.0° | 119.9° |
| N8 | C21 | C22 | 115.2° | 110.4° |
| N8 | C21 | C23 | 113.5° | 111.5° |
| N8 | C21 | H37 | 108.0° | 107.3° |
| C21 | N8 | C19 | 124.0° | 121.5° |
| H36 | N8 | C19 | 118.0° | 118.6° |
| C22 | C21 | C23 | 104.3° | 111.9° |
| C22 | C21 | H37 | 107.8° | 107.8° |
| C21 | C22 | O7 | 118.3° | 116.2° |
| C21 | C22 | N9 | 119.5° | 127.6° |
| C23 | C21 | H37 | 107.7° | 107.7° |
| C21 | C23 | H38 | 109.5° | 109.5° |
| C21 | C23 | H39 | 109.5° | 109.5° |
| C21 | C23 | H40 | 109.4° | 109.5° |
| O7 | C22 | N9 | 121.9° | 116.2° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H38 | C23 | H40 | 109.5° | 109.4° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| C24 | N9 | H41 | 120.4° | 116.0° |
| N9 | C24 | C25 | 109.3° | 109.1° |
| N9 | C24 | C26 | 112.5° | 111.2° |
| N9 | C24 | H42 | 109.1° | 111.2° |
| C24 | N9 | C22 | 119.1° | 128.3° |
| H41 | N9 | C22 | 120.5° | 115.7° |
| C25 | C24 | C26 | 109.6° | 107.4° |
| C25 | C24 | H42 | 108.2° | 108.3° |
| C24 | C25 | O8 | 123.1° | 120.0° |
| C24 | C25 | N10 | 113.5° | 119.2° |
| C26 | C24 | H42 | 108.1° | 109.6° |
| C24 | C26 | C27 | 114.4° | 109.5° |
| C24 | C26 | H43 | 108.2° | 109.5° |
| C24 | C26 | H44 | 108.2° | 109.4° |
| O8 | C25 | N10 | 123.2° | 120.8° |
| C27 | C26 | H43 | 108.2° | 109.5° |
| C27 | C26 | H44 | 108.2° | 109.5° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C26 | C27 | C29 | 121.1° | 120.0° |
| H43 | C26 | H44 | 109.5° | 109.5° |
| C28 | C27 | C29 | 118.5° | 120.0° |
| C27 | C28 | C30 | 121.0° | 120.0° |
| C27 | C28 | H45 | 119.5° | 120.0° |
| C27 | C29 | C31 | 120.5° | 120.0° |
| C27 | C29 | H46 | 119.7° | 119.9° |
| C30 | C28 | H45 | 119.5° | 120.0° |
| C28 | C30 | C32 | 120.0° | 120.0° |
| C28 | C30 | H47 | 120.0° | 120.0° |
| C31 | C29 | H46 | 119.8° | 120.0° |
| C29 | C31 | C32 | 120.4° | 120.0° |
| C29 | C31 | H48 | 119.8° | 120.0° |
| C32 | C30 | H47 | 120.0° | 120.0° |
| C30 | C32 | C31 | 119.4° | 120.0° |
| C30 | C32 | H49 | 120.3° | 120.0° |
| C32 | C31 | H48 | 119.8° | 120.0° |
| C31 | C32 | H49 | 120.3° | 120.0° |
| C33 | N10 | H50 | 119.7° | 119.7° |
| N10 | C33 | C34 | 109.5° | 109.1° |
| N10 | C33 | H51 | 109.5° | 109.7° |
| N10 | C33 | H52 | 109.5° | 109.9° |
| C33 | N10 | C25 | 120.7° | 120.0° |
| H50 | N10 | C25 | 119.7° | 120.3° |
| C34 | C33 | H51 | 109.5° | 109.5° |
| C34 | C33 | H52 | 109.5° | 109.8° |
| C33 | C34 | O9 | 122.5° | 120.1° |
| C33 | C34 | N11 | 115.7° | 119.6° |
| H51 | C33 | H52 | 109.4° | 108.7° |
| O9 | C34 | N11 | 121.7° | 120.3° |
| C35 | N11 | C39 | 112.9° | 109.8° |
| N11 | C35 | C36 | 117.5° | 111.1° |
| N11 | C35 | C37 | 102.7° | 107.3° |
| N11 | C35 | H53 | 108.9° | 109.8° |
| C35 | N11 | C34 | 118.2° | 126.1° |
| N11 | C39 | C38 | 103.2° | 108.2° |
| N11 | C39 | H58 | 111.0° | 109.6° |
| N11 | C39 | H59 | 111.0° | 109.9° |
| C39 | N11 | C34 | 124.9° | 124.1° |
| C36 | C35 | C37 | 112.0° | 109.3° |
| C36 | C35 | H53 | 108.0° | 109.8° |
| C35 | C36 | O10 | 119.5° | 119.2° |
| C35 | C36 | N12 | 118.5° | 120.6° |
| C37 | C35 | H53 | 107.3° | 109.5° |
| C35 | C37 | C38 | 105.5° | 105.3° |
| C35 | C37 | H54 | 110.5° | 110.4° |
| C35 | C37 | H55 | 110.5° | 110.2° |
| O10 | C36 | N12 | 121.9° | 120.1° |
| C38 | C37 | H54 | 110.5° | 110.3° |
| C38 | C37 | H55 | 110.4° | 110.0° |
| C37 | C38 | C39 | 103.7° | 104.4° |
| C37 | C38 | H56 | 110.9° | 110.5° |
| C37 | C38 | H57 | 110.9° | 110.3° |
| H54 | C37 | H55 | 109.5° | 110.6° |
| C39 | C38 | H56 | 110.9° | 110.5° |
| C39 | C38 | H57 | 110.9° | 110.4° |
| C38 | C39 | H58 | 111.0° | 109.6° |
| C38 | C39 | H59 | 111.0° | 110.3° |
| H56 | C38 | H57 | 109.5° | 110.6° |
| H58 | C39 | H59 | 109.5° | 109.2° |
| C40 | N12 | H60 | 120.8° | 119.5° |
| N12 | C40 | C41 | 116.6° | 110.3° |
| N12 | C40 | C42 | 107.0° | 109.2° |
| N12 | C40 | H61 | 108.2° | 109.5° |
| C40 | N12 | C36 | 118.5° | 121.3° |
| H60 | N12 | C36 | 120.8° | 119.2° |
| C41 | C40 | C42 | 110.7° | 109.3° |
| C41 | C40 | H61 | 106.7° | 109.2° |
| C40 | C41 | O11 | 125.0° | 119.9° |
| C40 | C41 | N13 | 115.7° | 120.8° |
| C42 | C40 | H61 | 107.4° | 109.4° |
| C40 | C42 | C43 | 113.6° | 109.5° |
| C40 | C42 | H62 | 108.4° | 109.5° |
| C40 | C42 | H63 | 108.4° | 109.5° |
| O11 | C41 | N13 | 119.3° | 119.3° |
| C43 | C42 | H62 | 108.4° | 109.5° |
| C43 | C42 | H63 | 108.4° | 109.5° |
| C42 | C43 | C44 | 119.5° | 120.0° |
| C42 | C43 | C45 | 121.4° | 120.0° |
| H62 | C42 | H63 | 109.5° | 109.4° |
| C44 | C43 | C45 | 119.1° | 120.0° |
| C43 | C44 | C46 | 120.8° | 120.1° |
| C43 | C44 | H64 | 119.6° | 120.0° |
| C43 | C45 | C47 | 120.3° | 120.0° |
| C43 | C45 | H65 | 119.9° | 120.0° |
| C46 | C44 | H64 | 119.6° | 119.9° |
| C44 | C46 | C48 | 119.7° | 120.0° |
| C44 | C46 | H66 | 120.1° | 120.0° |
| C47 | C45 | H65 | 119.9° | 120.1° |
| C45 | C47 | C48 | 119.0° | 120.0° |
| C45 | C47 | H67 | 120.5° | 120.0° |
| C48 | C46 | H66 | 120.2° | 120.0° |
| C46 | C48 | C47 | 121.1° | 120.0° |
| C46 | C48 | H68 | 119.4° | 120.0° |
| C48 | C47 | H67 | 120.5° | 120.0° |
| C47 | C48 | H68 | 119.5° | 120.0° |
| N13 | C49 | C50 | 117.9° | 110.3° |
| N13 | C49 | C51 | 116.1° | 111.2° |
| C49 | N13 | H69 | 119.2° | 120.1° |
| N13 | C49 | H70 | 105.1° | 108.9° |
| C49 | N13 | C41 | 121.5° | 119.9° |
| C50 | C49 | C51 | 106.8° | 109.5° |
| C49 | C50 | O12 | 127.9° | 119.4° |
| C50 | C49 | H70 | 105.0° | 107.9° |
| C49 | C50 | N14 | 111.0° | 120.6° |
| C49 | C51 | C52 | 114.6° | 108.9° |
| C51 | C49 | H70 | 104.6° | 108.9° |
| C49 | C51 | H71 | 110.3° | 109.6° |
| C49 | C51 | S2 | 112.6° | 110.4° |
| O12 | C50 | N14 | 121.1° | 120.0° |
| C52 | C51 | H71 | 110.6° | 109.2° |
| C51 | C52 | H72 | 109.5° | 109.4° |
| C51 | C52 | H73 | 109.4° | 109.5° |
| C51 | C52 | H74 | 109.5° | 109.4° |
| C52 | C51 | S2 | 102.5° | 109.4° |
| H69 | N13 | C41 | 119.2° | 120.0° |
| H71 | C51 | S2 | 105.7° | 109.4° |
| H72 | C52 | H73 | 109.5° | 109.5° |
| H72 | C52 | H74 | 109.5° | 109.5° |
| H73 | C52 | H74 | 109.5° | 109.5° |
| C53 | N14 | H75 | 120.0° | 119.3° |
| N14 | C53 | C54 | 123.0° | 110.1° |
| N14 | C53 | C55 | 115.3° | 109.3° |
| N14 | C53 | H76 | 103.0° | 109.0° |
| C53 | N14 | C50 | 120.0° | 120.8° |
| H75 | N14 | C50 | 120.0° | 119.9° |
| C54 | C53 | C55 | 107.3° | 109.2° |
| C54 | C53 | H76 | 102.7° | 109.5° |
| C53 | C54 | O13 | 119.7° | 118.6° |
| C53 | C54 | N15 | 117.8° | 121.6° |
| C55 | C53 | H76 | 102.7° | 109.7° |
| C53 | C55 | C56 | 114.4° | 109.5° |
| C53 | C55 | H77 | 108.2° | 109.5° |
| C53 | C55 | H78 | 108.2° | 109.5° |
| O13 | C54 | N15 | 122.5° | 119.8° |
| C56 | C55 | H77 | 108.2° | 109.5° |
| C56 | C55 | H78 | 108.2° | 109.5° |
| C55 | C56 | C57 | 120.2° | 120.0° |
| C55 | C56 | C58 | 122.2° | 120.0° |
| H77 | C55 | H78 | 109.5° | 109.4° |
| C57 | C56 | C58 | 117.7° | 120.0° |
| C56 | C57 | C59 | 121.9° | 120.0° |
| C56 | C57 | H79 | 119.1° | 120.0° |
| C56 | C58 | C60 | 120.7° | 120.0° |
| C56 | C58 | H80 | 119.6° | 120.1° |
| C59 | C57 | H79 | 119.1° | 120.0° |
| C57 | C59 | C61 | 121.1° | 120.0° |
| C57 | C59 | H81 | 119.5° | 120.0° |
| C60 | C58 | H80 | 119.7° | 119.9° |
| C58 | C60 | C61 | 120.4° | 119.9° |
| C58 | C60 | H82 | 119.8° | 120.1° |
| C61 | C59 | H81 | 119.5° | 120.0° |
| C59 | C61 | C60 | 118.3° | 120.1° |
| C59 | C61 | H83 | 120.9° | 120.0° |
| C61 | C60 | H82 | 119.8° | 120.0° |
| C60 | C61 | H83 | 120.8° | 119.9° |
| C62 | N15 | H84 | 119.0° | 119.4° |
| N15 | C62 | C63 | 107.1° | 110.8° |
| N15 | C62 | C64 | 111.9° | 111.5° |
| N15 | C62 | H85 | 108.8° | 107.2° |
| C62 | N15 | C54 | 122.0° | 121.0° |
| H84 | N15 | C54 | 119.0° | 119.6° |
| C63 | C62 | C64 | 113.0° | 112.0° |
| C63 | C62 | H85 | 107.9° | 107.7° |
| C62 | C63 | O14 | 121.9° | 116.7° |
| C62 | C63 | N16 | 115.0° | 126.8° |
| C64 | C62 | H85 | 107.9° | 107.4° |
| C62 | C64 | C65 | 113.2° | 109.5° |
| C62 | C64 | C66 | 109.3° | 109.5° |
| C62 | C64 | H86 | 106.8° | 109.5° |
| O14 | C63 | N16 | 123.1° | 116.5° |
| C65 | C64 | C66 | 113.5° | 109.5° |
| C65 | C64 | H86 | 106.6° | 109.5° |
| C64 | C65 | H87 | 109.5° | 109.5° |
| C64 | C65 | H88 | 109.5° | 109.5° |
| C64 | C65 | H89 | 109.5° | 109.5° |
| C66 | C64 | H86 | 107.1° | 109.4° |
| C64 | C66 | H90 | 109.5° | 109.5° |
| C64 | C66 | H91 | 109.5° | 109.5° |
| C64 | C66 | H92 | 109.5° | 109.5° |
| H87 | C65 | H88 | 109.4° | 109.5° |
| H87 | C65 | H89 | 109.4° | 109.5° |
| H88 | C65 | H89 | 109.5° | 109.5° |
| H90 | C66 | H91 | 109.5° | 109.5° |
| H90 | C66 | H92 | 109.4° | 109.4° |
| H91 | C66 | H92 | 109.5° | 109.5° |
| C67 | N16 | H93 | 120.4° | 116.8° |
| N16 | C67 | C68 | 111.6° | 109.4° |
| N16 | C67 | C69 | 111.4° | 109.9° |
| N16 | C67 | H94 | 110.3° | 111.2° |
| C67 | N16 | C63 | 119.2° | 126.8° |
| H93 | N16 | C63 | 120.4° | 116.4° |
| C68 | C67 | C69 | 105.0° | 108.0° |
| C68 | C67 | H94 | 109.1° | 109.5° |
| C67 | C68 | O15 | 124.1° | 120.0° |
| C67 | C68 | N17 | 117.0° | 120.0° |
| C69 | C67 | H94 | 109.3° | 108.7° |
| C67 | C69 | S3 | 109.8° | 109.5° |
| C67 | C69 | H95 | 109.4° | 109.6° |
| C67 | C69 | H96 | 109.4° | 109.1° |
| O15 | C68 | N17 | 118.6° | 120.0° |
| S3 | C69 | H95 | 109.4° | 109.5° |
| S3 | C69 | H96 | 109.4° | 109.2° |
| C69 | S3 | C16 | 102.9° | 103.5° |
| H95 | C69 | H96 | 109.4° | 109.9° |
| O16 | C70 | C71 | 120.3° | 120.0° |
| O16 | C70 | N18 | 118.5° | 120.0° |
| C70 | C71 | N17 | 113.6° | 109.4° |
| C70 | C71 | C72 | 111.0° | 109.5° |
| C70 | C71 | H97 | 106.6° | 109.5° |
| C71 | C70 | N18 | 121.2° | 120.0° |
| C71 | N17 | H100 | 120.1° | 120.0° |
| N17 | C71 | C72 | 111.6° | 109.5° |
| N17 | C71 | H97 | 107.2° | 109.5° |
| C71 | N17 | C68 | 119.8° | 120.0° |
| H100 | N17 | C68 | 120.1° | 120.0° |
| C72 | C71 | H97 | 106.4° | 109.5° |
| C71 | C72 | H98 | 107.6° | 109.5° |
| C71 | C72 | C73 | 111.8° | 109.5° |
| C71 | C72 | O17 | 109.6° | 109.5° |
| H98 | C72 | C73 | 107.2° | 109.5° |
| H98 | C72 | O17 | 108.4° | 109.4° |
| C73 | C72 | O17 | 112.1° | 109.5° |
| C72 | C73 | O19 | 116.2° | 120.0° |
| C72 | C73 | O18 | 122.5° | 120.0° |
| C72 | O17 | H99 | 109.5° | 114.0° |
| O19 | C73 | O18 | 121.3° | 120.0° |
| C73 | O18 | H101 | 109.5° | 117.0° |
| C74 | N18 | H102 | 122.1° | 120.0° |
| N18 | C74 | C75 | 108.9° | 109.4° |
| N18 | C74 | H103 | 109.6° | 109.5° |
| N18 | C74 | H104 | 109.6° | 109.5° |
| C74 | N18 | C70 | 115.9° | 120.0° |
| H102 | N18 | C70 | 122.0° | 120.0° |
| C75 | C74 | H103 | 109.6° | 109.5° |
| C75 | C74 | H104 | 109.6° | 109.5° |
| C74 | C75 | O20 | 121.4° | 120.0° |
| C74 | C75 | N19 | 113.8° | 120.0° |
| H103 | C74 | H104 | 109.5° | 109.5° |
| O20 | C75 | N19 | 124.6° | 120.0° |
| C76 | N19 | H105 | 116.5° | 120.0° |
| N19 | C76 | C77 | 106.9° | 109.5° |
| N19 | C76 | C78 | 106.1° | 109.5° |
| N19 | C76 | H106 | 112.4° | 109.5° |
| C76 | N19 | C75 | 127.0° | 120.0° |
| H105 | N19 | C75 | 116.5° | 120.0° |
| C77 | C76 | C78 | 109.2° | 109.5° |
| C77 | C76 | H106 | 111.0° | 109.5° |
| C76 | C77 | O21 | 119.5° | 120.0° |
| C76 | C77 | N21 | 116.2° | 120.0° |
| C78 | C76 | H106 | 111.0° | 109.4° |
| C76 | C78 | C79 | 114.6° | 109.5° |
| C76 | C78 | H107 | 108.2° | 109.5° |
| C76 | C78 | H108 | 108.1° | 109.5° |
| O21 | C77 | N21 | 124.3° | 120.0° |
| C79 | C78 | H107 | 108.1° | 109.5° |
| C79 | C78 | H108 | 108.2° | 109.5° |
| C78 | C79 | O22 | 123.4° | 120.0° |
| C78 | C79 | N20 | 114.0° | 120.0° |
| H107 | C78 | H108 | 109.5° | 109.4° |
| O22 | C79 | N20 | 122.6° | 120.0° |
| C79 | N20 | H109 | 120.0° | 120.0° |
| C79 | N20 | H110 | 120.0° | 120.0° |
| H109 | N20 | H110 | 120.0° | 120.1° |
| N21 | C80 | C81 | 113.6° | 109.5° |
| N21 | C80 | C82 | 117.8° | 109.5° |
| C80 | N21 | H111 | 119.6° | 120.0° |
| N21 | C80 | H112 | 103.5° | 109.5° |
| C80 | N21 | C77 | 120.8° | 120.0° |
| C81 | C80 | C82 | 113.5° | 109.4° |
| C80 | C81 | O23 | 110.4° | 120.0° |
| C81 | C80 | H112 | 103.2° | 109.4° |
| C80 | C81 | N22 | 120.1° | 120.0° |
| C80 | C82 | C83 | 117.9° | 109.5° |
| C82 | C80 | H112 | 102.8° | 109.4° |
| C80 | C82 | H113 | 107.3° | 109.5° |
| C80 | C82 | H114 | 107.3° | 109.4° |
| O23 | C81 | N22 | 129.5° | 120.0° |
| C83 | C82 | H113 | 107.4° | 109.5° |
| C83 | C82 | H114 | 107.3° | 109.5° |
| C82 | C83 | H115 | 109.5° | 109.5° |
| C82 | C83 | H116 | 109.4° | 109.5° |
| C82 | C83 | H117 | 109.5° | 109.5° |
| H111 | N21 | C77 | 119.6° | 120.0° |
| H113 | C82 | H114 | 109.4° | 109.5° |
| H115 | C83 | H116 | 109.5° | 109.4° |
| H115 | C83 | H117 | 109.5° | 109.4° |
| H116 | C83 | H117 | 109.5° | 109.5° |
| C84 | N22 | H118 | 119.1° | 120.1° |
| N22 | C84 | C85 | 116.9° | 109.4° |
| N22 | C84 | C86 | 109.5° | 109.5° |
| N22 | C84 | H119 | 107.3° | 109.5° |
| C84 | N22 | C81 | 121.8° | 120.0° |
| H118 | N22 | C81 | 119.1° | 119.9° |
| C85 | C84 | C86 | 109.7° | 109.5° |
| C85 | C84 | H119 | 106.3° | 109.5° |
| C84 | C85 | O24 | 120.8° | 120.0° |
| C84 | C85 | O25 | 119.4° | 120.0° |
| C86 | C84 | H119 | 106.6° | 109.4° |
| C84 | C86 | C87 | 113.2° | 109.5° |
| C84 | C86 | H120 | 108.5° | 109.5° |
| C84 | C86 | H121 | 108.5° | 109.5° |
| O24 | C85 | O25 | 119.8° | 120.0° |
| C85 | O25 | H131 | 109.5° | 117.0° |
| C87 | C86 | H120 | 108.5° | 109.4° |
| C87 | C86 | H121 | 108.5° | 109.4° |
| C86 | C87 | C88 | 108.3° | 109.5° |
| C86 | C87 | H122 | 109.8° | 109.5° |
| C86 | C87 | H123 | 109.8° | 109.5° |
| H120 | C86 | H121 | 109.5° | 109.5° |
| C88 | C87 | H122 | 109.7° | 109.5° |
| C88 | C87 | H123 | 109.8° | 109.5° |
| C87 | C88 | C89 | 111.1° | 109.5° |
| C87 | C88 | H124 | 109.1° | 109.5° |
| C87 | C88 | H125 | 109.0° | 109.5° |
| H122 | C87 | H123 | 109.5° | 109.5° |
| C89 | C88 | H124 | 109.1° | 109.4° |
| C89 | C88 | H125 | 109.1° | 109.4° |
| C88 | C89 | N23 | 111.2° | 109.5° |
| C88 | C89 | H126 | 109.1° | 109.5° |
| C88 | C89 | H127 | 109.0° | 109.5° |
| H124 | C88 | H125 | 109.5° | 109.5° |
| N23 | C89 | H126 | 109.0° | 109.4° |
| N23 | C89 | H127 | 109.0° | 109.5° |
| C89 | N23 | H128 | 109.5° | 109.5° |
| C89 | N23 | H129 | 109.5° | 109.5° |
| C89 | N23 | H130 | 109.5° | 109.5° |
| H126 | C89 | H127 | 109.5° | 109.5° |
| H128 | N23 | H129 | 109.5° | 109.5° |
| H128 | N23 | H130 | 109.4° | 109.4° |
| H129 | N23 | H130 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 115.8° | 119.9° |
| N1 | C1 | C2 | H3 | 122.3° | 120.0° |
| N1 | C1 | C3 | H3 | 122.5° | 120.0° |
| N1 | C1 | C2 | O1 | 1.5° | 20.0° |
| N1 | C1 | C3 | S1 | 64.0° | 60.0° |
| N1 | C1 | C3 | H4 | 174.8° | 60.0° |
| N1 | C1 | C3 | H5 | 57.3° | 180.0° |
| N1 | C1 | C2 | N2 | 177.3° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 59.9° |
| H1 | N1 | C1 | C3 | 63.2° | 60.0° |
| H1 | N1 | C1 | H3 | 58.5° | 179.9° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 176.8° | 64.0° |
| H2 | N1 | C1 | H3 | 61.5° | 56.0° |
| C2 | C1 | C3 | H3 | 121.9° | 120.0° |
| C1 | C2 | O1 | N2 | 178.7° | 180.0° |
| C2 | C1 | C3 | S1 | 51.7° | 180.0° |
| C2 | C1 | C3 | H4 | 69.6° | 60.0° |
| C2 | C1 | C3 | H5 | 172.9° | 60.0° |
| C1 | C2 | N2 | C4 | 178.3° | 180.0° |
| C1 | C2 | N2 | H7 | 1.8° | 0.0° |
| C3 | C1 | C2 | O1 | 114.3° | 100.0° |
| C1 | C3 | S1 | H4 | 121.2° | 120.0° |
| C1 | C3 | S1 | H5 | 121.2° | 120.0° |
| C1 | C3 | H4 | H5 | 116.0° | 120.0° |
| C1 | C3 | S1 | H6 | 180.0° | 180.0° |
| C3 | C1 | C2 | N2 | 66.8° | 80.0° |
| H3 | C1 | C2 | O1 | 123.8° | 140.0° |
| H3 | C1 | C3 | S1 | 173.5° | 60.0° |
| H3 | C1 | C3 | H4 | 52.3° | 180.0° |
| H3 | C1 | C3 | H5 | 65.2° | 60.0° |
| H3 | C1 | C2 | N2 | 55.0° | 40.0° |
| O1 | C2 | N2 | C4 | 0.5° | 0.0° |
| O1 | C2 | N2 | H7 | 179.5° | 180.0° |
| S1 | C3 | H4 | H5 | 116.1° | 120.0° |
| H4 | C3 | S1 | H6 | 58.8° | 60.0° |
| H5 | C3 | S1 | H6 | 58.8° | 60.0° |
| C4 | N2 | H7 | C2 | 180.0° | 179.9° |
| N2 | C4 | C5 | C6 | 126.1° | 120.0° |
| N2 | C4 | C5 | H8 | 119.3° | 120.0° |
| N2 | C4 | C6 | H8 | 117.0° | 120.0° |
| N2 | C4 | C5 | O2 | 16.7° | 5.4° |
| N2 | C4 | C6 | C7 | 55.5° | 60.6° |
| N2 | C4 | C6 | H9 | 65.6° | 59.4° |
| N2 | C4 | C6 | H10 | 176.5° | 179.5° |
| N2 | C4 | C5 | N4 | 163.9° | 174.6° |
| H7 | N2 | C4 | C5 | 78.0° | 25.0° |
| H7 | N2 | C4 | C6 | 46.9° | 95.0° |
| H7 | N2 | C4 | H8 | 163.2° | 145.0° |
| C5 | C4 | C6 | H8 | 114.8° | 120.0° |
| C4 | C5 | O2 | N4 | 179.4° | 180.0° |
| C5 | C4 | C6 | C7 | 176.3° | 179.5° |
| C5 | C4 | C6 | H9 | 62.6° | 60.5° |
| C5 | C4 | C6 | H10 | 55.3° | 59.5° |
| C4 | C5 | N4 | C10 | 178.0° | 175.0° |
| C4 | C5 | N4 | H20 | 2.0° | 5.0° |
| C5 | C4 | N2 | C2 | 102.0° | 155.0° |
| C6 | C4 | C5 | O2 | 109.4° | 114.6° |
| C4 | C6 | C7 | H9 | 121.0° | 120.0° |
| C4 | C6 | C7 | H10 | 121.0° | 120.0° |
| C4 | C6 | H9 | H10 | 116.7° | 119.9° |
| C4 | C6 | C7 | C8 | 161.9° | 175.3° |
| C4 | C6 | C7 | H11 | 77.6° | 64.7° |
| C4 | C6 | C7 | H12 | 41.3° | 55.3° |
| C6 | C4 | N2 | C2 | 133.1° | 85.0° |
| C6 | C4 | C5 | N4 | 70.0° | 65.4° |
| H8 | C4 | C5 | O2 | 136.0° | 125.3° |
| H8 | C4 | C6 | C7 | 61.5° | 59.4° |
| H8 | C4 | C6 | H9 | 177.4° | 179.4° |
| H8 | C4 | C6 | H10 | 59.5° | 60.6° |
| H8 | C4 | N2 | C2 | 16.8° | 35.0° |
| H8 | C4 | C5 | N4 | 44.6° | 54.7° |
| O2 | C5 | N4 | C10 | 1.4° | 5.0° |
| O2 | C5 | N4 | H20 | 178.6° | 175.0° |
| C7 | C6 | H9 | H10 | 116.7° | 120.1° |
| C6 | C7 | C8 | H11 | 120.6° | 120.0° |
| C6 | C7 | C8 | H12 | 120.5° | 120.0° |
| C6 | C7 | H11 | H12 | 118.3° | 120.0° |
| C6 | C7 | C8 | C9 | 173.4° | 175.0° |
| C6 | C7 | C8 | H13 | 52.8° | 55.0° |
| C6 | C7 | C8 | H14 | 65.9° | 65.0° |
| H9 | C6 | C7 | C8 | 40.8° | 55.3° |
| H9 | C6 | C7 | H11 | 161.4° | 175.3° |
| H9 | C6 | C7 | H12 | 79.7° | 64.7° |
| H10 | C6 | C7 | C8 | 77.1° | 64.8° |
| H10 | C6 | C7 | H11 | 43.5° | 55.2° |
| H10 | C6 | C7 | H12 | 162.4° | 175.2° |
| C8 | C7 | H11 | H12 | 118.3° | 120.0° |
| C7 | C8 | C9 | H13 | 120.6° | 120.0° |
| C7 | C8 | C9 | H14 | 120.6° | 120.0° |
| C7 | C8 | H13 | H14 | 118.1° | 120.0° |
| C7 | C8 | C9 | N3 | 54.1° | 175.0° |
| C7 | C8 | C9 | H15 | 175.0° | 55.0° |
| C7 | C8 | C9 | H16 | 66.8° | 65.0° |
| H11 | C7 | C8 | C9 | 66.0° | 65.0° |
| H11 | C7 | C8 | H13 | 173.4° | 175.0° |
| H11 | C7 | C8 | H14 | 54.6° | 55.0° |
| H12 | C7 | C8 | C9 | 52.9° | 55.0° |
| H12 | C7 | C8 | H13 | 67.7° | 65.0° |
| H12 | C7 | C8 | H14 | 173.5° | 175.0° |
| C9 | C8 | H13 | H14 | 118.2° | 120.0° |
| C8 | C9 | N3 | H15 | 120.9° | 120.0° |
| C8 | C9 | N3 | H16 | 120.9° | 120.0° |
| C8 | C9 | H15 | H16 | 117.1° | 119.9° |
| C8 | C9 | N3 | H17 | 180.0° | 175.0° |
| C8 | C9 | N3 | H18 | 60.0° | 55.0° |
| C8 | C9 | N3 | H19 | 60.0° | 65.0° |
| H13 | C8 | C9 | N3 | 66.5° | 65.0° |
| H13 | C8 | C9 | H15 | 54.5° | 175.0° |
| H13 | C8 | C9 | H16 | 172.6° | 55.0° |
| H14 | C8 | C9 | N3 | 174.7° | 55.0° |
| H14 | C8 | C9 | H15 | 64.4° | 65.1° |
| H14 | C8 | C9 | H16 | 53.8° | 175.0° |
| N3 | C9 | H15 | H16 | 117.1° | 120.1° |
| C9 | N3 | H17 | H18 | 120.0° | 120.0° |
| C9 | N3 | H17 | H19 | 120.0° | 120.0° |
| C9 | N3 | H18 | H19 | 120.0° | 120.0° |
| H15 | C9 | N3 | H17 | 59.1° | 65.0° |
| H15 | C9 | N3 | H18 | 179.1° | 174.9° |
| H15 | C9 | N3 | H19 | 60.9° | 55.0° |
| H16 | C9 | N3 | H17 | 59.1° | 55.0° |
| H16 | C9 | N3 | H18 | 60.9° | 65.0° |
| H16 | C9 | N3 | H19 | 179.1° | 175.1° |
| H17 | N3 | H18 | H19 | 120.0° | 120.0° |
| C10 | N4 | H20 | C5 | 180.0° | 180.0° |
| N4 | C10 | C11 | C12 | 120.3° | 120.0° |
| N4 | C10 | C11 | H21 | 121.2° | 120.0° |
| N4 | C10 | C12 | H21 | 122.5° | 120.0° |
| N4 | C10 | C11 | O3 | 37.8° | 2.9° |
| N4 | C10 | C12 | C13 | 54.7° | 60.1° |
| N4 | C10 | C12 | H22 | 66.5° | 59.9° |
| N4 | C10 | C12 | H23 | 176.0° | 179.9° |
| N4 | C10 | C11 | N6 | 148.3° | 177.1° |
| H20 | N4 | C10 | C11 | 49.2° | 99.8° |
| H20 | N4 | C10 | C12 | 68.2° | 20.2° |
| H20 | N4 | C10 | H21 | 169.9° | 140.2° |
| C11 | C10 | C12 | H21 | 118.7° | 120.0° |
| C10 | C11 | O3 | N6 | 173.3° | 180.0° |
| C11 | C10 | C12 | C13 | 173.5° | 179.9° |
| C11 | C10 | C12 | H22 | 52.3° | 60.1° |
| C11 | C10 | C12 | H23 | 65.2° | 59.9° |
| C10 | C11 | N6 | C15 | 168.5° | 176.9° |
| C10 | C11 | N6 | H28 | 11.5° | 3.1° |
| C11 | C10 | N4 | C5 | 130.8° | 80.1° |
| C12 | C10 | C11 | O3 | 82.6° | 117.1° |
| C10 | C12 | C13 | H22 | 121.2° | 120.0° |
| C10 | C12 | C13 | H23 | 121.3° | 120.0° |
| C10 | C12 | H22 | H23 | 116.0° | 120.0° |
| C10 | C12 | C13 | C14 | 66.0° | 176.0° |
| C10 | C12 | C13 | H24 | 173.9° | 64.0° |
| C10 | C12 | C13 | H25 | 54.2° | 56.0° |
| C12 | C10 | N4 | C5 | 111.8° | 159.8° |
| C12 | C10 | C11 | N6 | 91.4° | 62.9° |
| H21 | C10 | C11 | O3 | 159.0° | 122.8° |
| H21 | C10 | C12 | C13 | 67.8° | 59.9° |
| H21 | C10 | C12 | H22 | 171.0° | 179.9° |
| H21 | C10 | C12 | H23 | 53.5° | 60.2° |
| H21 | C10 | N4 | C5 | 10.1° | 39.8° |
| H21 | C10 | C11 | N6 | 27.1° | 57.2° |
| O3 | C11 | N6 | C15 | 5.2° | 3.1° |
| O3 | C11 | N6 | H28 | 174.8° | 176.9° |
| C13 | C12 | H22 | H23 | 116.0° | 120.1° |
| C12 | C13 | C14 | H24 | 120.2° | 120.0° |
| C12 | C13 | C14 | H25 | 120.2° | 120.0° |
| C12 | C13 | H24 | H25 | 119.4° | 120.0° |
| C12 | C13 | C14 | O4 | 49.5° | 3.7° |
| C12 | C13 | C14 | N5 | 131.1° | 176.3° |
| H22 | C12 | C13 | C14 | 55.3° | 56.0° |
| H22 | C12 | C13 | H24 | 64.9° | 176.0° |
| H22 | C12 | C13 | H25 | 175.5° | 64.0° |
| H23 | C12 | C13 | C14 | 172.8° | 64.0° |
| H23 | C12 | C13 | H24 | 52.6° | 56.0° |
| H23 | C12 | C13 | H25 | 67.0° | 176.0° |
| C14 | C13 | H24 | H25 | 119.4° | 120.0° |
| C13 | C14 | O4 | N5 | 179.3° | 180.0° |
| C13 | C14 | N5 | H26 | 179.4° | 5.0° |
| C13 | C14 | N5 | H27 | 0.6° | 175.0° |
| H24 | C13 | C14 | O4 | 70.7° | 116.3° |
| H24 | C13 | C14 | N5 | 108.7° | 63.7° |
| H25 | C13 | C14 | O4 | 169.7° | 123.7° |
| H25 | C13 | C14 | N5 | 10.9° | 56.3° |
| O4 | C14 | N5 | H26 | 0.0° | 175.0° |
| O4 | C14 | N5 | H27 | 180.0° | 5.1° |
| C14 | N5 | H26 | H27 | 180.0° | 180.0° |
| C15 | N6 | H28 | C11 | 180.0° | 180.0° |
| N6 | C15 | C16 | C17 | 127.6° | 121.5° |
| N6 | C15 | C16 | H29 | 114.6° | 119.4° |
| N6 | C15 | C17 | H29 | 117.8° | 120.6° |
| N6 | C15 | C16 | H30 | 57.8° | 143.5° |
| N6 | C15 | C16 | H31 | 179.0° | 96.4° |
| N6 | C15 | C17 | O5 | 15.2° | 173.8° |
| N6 | C15 | C17 | N7 | 165.9° | 6.8° |
| N6 | C15 | C16 | S3 | 61.6° | 24.1° |
| H28 | N6 | C15 | C16 | 105.6° | 14.0° |
| H28 | N6 | C15 | C17 | 22.8° | 106.5° |
| H28 | N6 | C15 | H29 | 140.4° | 133.0° |
| C16 | C15 | C17 | H29 | 117.4° | 118.7° |
| C15 | C16 | H30 | H31 | 121.7° | 120.3° |
| C15 | C16 | H30 | S3 | 116.6° | 119.7° |
| C15 | C16 | H31 | S3 | 116.6° | 120.6° |
| C16 | C15 | C17 | O5 | 109.6° | 53.0° |
| C15 | C16 | S3 | C69 | 122.1° | 130.1° |
| C16 | C15 | N6 | C11 | 74.4° | 166.0° |
| C16 | C15 | C17 | N7 | 69.3° | 127.5° |
| C17 | C15 | C16 | H30 | 174.6° | 95.0° |
| C17 | C15 | C16 | H31 | 53.4° | 25.1° |
| C15 | C17 | O5 | N7 | 178.8° | 179.5° |
| C15 | C17 | N7 | C18 | 170.7° | 172.7° |
| C15 | C17 | N7 | H32 | 9.3° | 7.8° |
| C17 | C15 | N6 | C11 | 157.2° | 73.5° |
| C17 | C15 | C16 | S3 | 66.0° | 145.6° |
| H29 | C15 | C16 | H30 | 56.8° | 24.1° |
| H29 | C15 | C16 | H31 | 64.4° | 144.2° |
| H29 | C15 | C17 | O5 | 133.0° | 65.7° |
| H29 | C15 | N6 | C11 | 39.6° | 47.0° |
| H29 | C15 | C17 | N7 | 48.1° | 113.8° |
| H29 | C15 | C16 | S3 | 176.2° | 95.3° |
| H30 | C16 | H31 | S3 | 121.7° | 119.6° |
| H30 | C16 | S3 | C69 | 118.5° | 110.5° |
| H31 | C16 | S3 | C69 | 2.7° | 9.4° |
| O5 | C17 | N7 | C18 | 10.4° | 7.9° |
| O5 | C17 | N7 | H32 | 169.6° | 171.6° |
| C18 | N7 | H32 | C17 | 180.0° | 179.5° |
| N7 | C18 | C19 | C20 | 124.7° | 119.8° |
| N7 | C18 | C19 | H33 | 118.8° | 120.3° |
| N7 | C18 | C20 | H33 | 119.2° | 119.7° |
| N7 | C18 | C19 | O6 | 65.0° | 18.5° |
| N7 | C18 | C20 | S2 | 176.3° | 124.5° |
| N7 | C18 | C20 | H34 | 63.2° | 4.0° |
| N7 | C18 | C20 | H35 | 55.8° | 115.3° |
| N7 | C18 | C19 | N8 | 112.2° | 161.3° |
| H32 | N7 | C18 | C19 | 107.3° | 109.1° |
| H32 | N7 | C18 | C20 | 15.9° | 131.0° |
| H32 | N7 | C18 | H33 | 134.5° | 11.4° |
| C19 | C18 | C20 | H33 | 116.4° | 120.4° |
| C18 | C19 | O6 | N8 | 177.1° | 179.8° |
| C19 | C18 | C20 | S2 | 51.9° | 115.6° |
| C19 | C18 | C20 | H34 | 172.4° | 123.8° |
| C19 | C18 | C20 | H35 | 68.7° | 4.5° |
| C18 | C19 | N8 | C21 | 171.8° | 179.7° |
| C18 | C19 | N8 | H36 | 8.2° | 1.4° |
| C19 | C18 | N7 | C17 | 72.7° | 70.4° |
| C20 | C18 | C19 | O6 | 59.7° | 138.3° |
| C18 | C20 | S2 | H34 | 120.5° | 120.2° |
| C18 | C20 | S2 | H35 | 120.5° | 120.2° |
| C18 | C20 | H34 | H35 | 118.3° | 119.6° |
| C20 | C18 | N7 | C17 | 164.1° | 49.5° |
| C18 | C20 | S2 | C51 | 109.9° | 137.8° |
| C20 | C18 | C19 | N8 | 123.1° | 41.5° |
| H33 | C18 | C19 | O6 | 176.2° | 101.8° |
| H33 | C18 | C20 | S2 | 64.5° | 4.8° |
| H33 | C18 | C20 | H34 | 56.0° | 115.7° |
| H33 | C18 | C20 | H35 | 174.9° | 125.0° |
| H33 | C18 | N7 | C17 | 45.5° | 169.1° |
| H33 | C18 | C19 | N8 | 6.6° | 78.5° |
| O6 | C19 | N8 | C21 | 5.4° | 0.1° |
| O6 | C19 | N8 | H36 | 174.6° | 178.3° |
| S2 | C20 | H34 | H35 | 118.3° | 119.9° |
| C20 | S2 | C51 | C49 | 94.1° | 171.3° |
| C20 | S2 | C51 | C52 | 142.3° | 51.5° |
| C20 | S2 | C51 | H71 | 26.4° | 68.0° |
| H34 | C20 | S2 | C51 | 129.5° | 17.5° |
| H35 | C20 | S2 | C51 | 10.6° | 102.0° |
| C21 | N8 | H36 | C19 | 180.0° | 178.3° |
| N8 | C21 | C22 | C23 | 125.1° | 124.8° |
| N8 | C21 | C22 | H37 | 120.6° | 117.0° |
| N8 | C21 | C23 | H37 | 119.4° | 117.5° |
| N8 | C21 | C22 | O7 | 176.8° | 112.8° |
| N8 | C21 | C23 | H38 | 180.0° | 54.9° |
| N8 | C21 | C23 | H39 | 60.0° | 175.0° |
| N8 | C21 | C23 | H40 | 60.0° | 65.0° |
| N8 | C21 | C22 | N9 | 9.3° | 67.1° |
| H36 | N8 | C21 | C22 | 67.2° | 19.0° |
| H36 | N8 | C21 | C23 | 53.0° | 106.0° |
| H36 | N8 | C21 | H37 | 172.2° | 136.3° |
| C22 | C21 | C23 | H37 | 114.4° | 118.3° |
| C21 | C22 | O7 | N9 | 173.7° | 179.9° |
| C22 | C21 | C23 | H38 | 53.8° | 69.3° |
| C22 | C21 | C23 | H39 | 173.8° | 50.8° |
| C22 | C21 | C23 | H40 | 66.2° | 170.7° |
| C21 | C22 | N9 | C24 | 176.7° | 21.3° |
| C21 | C22 | N9 | H41 | 3.3° | 158.7° |
| C22 | C21 | N8 | C19 | 112.8° | 159.2° |
| C23 | C21 | C22 | O7 | 58.1° | 122.4° |
| C21 | C23 | H38 | H39 | 120.0° | 120.0° |
| C21 | C23 | H38 | H40 | 120.0° | 120.0° |
| C21 | C23 | H39 | H40 | 120.0° | 120.0° |
| C23 | C21 | N8 | C19 | 127.0° | 75.8° |
| C23 | C21 | C22 | N9 | 115.8° | 57.7° |
| H37 | C21 | C22 | O7 | 56.1° | 4.2° |
| H37 | C21 | C23 | H38 | 60.6° | 172.4° |
| H37 | C21 | C23 | H39 | 59.5° | 67.5° |
| H37 | C21 | C23 | H40 | 179.4° | 52.5° |
| H37 | C21 | N8 | C19 | 7.7° | 41.9° |
| H37 | C21 | C22 | N9 | 130.0° | 175.9° |
| O7 | C22 | N9 | C24 | 9.7° | 158.8° |
| O7 | C22 | N9 | H41 | 170.3° | 21.2° |
| H38 | C23 | H39 | H40 | 120.0° | 119.9° |
| C24 | N9 | H41 | C22 | 180.0° | 180.0° |
| N9 | C24 | C25 | C26 | 123.7° | 120.7° |
| N9 | C24 | C25 | H42 | 118.6° | 121.1° |
| N9 | C24 | C26 | H42 | 120.5° | 123.3° |
| N9 | C24 | C25 | O8 | 20.0° | 4.5° |
| N9 | C24 | C26 | C27 | 56.7° | 61.5° |
| N9 | C24 | C26 | H43 | 177.4° | 178.5° |
| N9 | C24 | C26 | H44 | 64.0° | 58.5° |
| N9 | C24 | C25 | N10 | 164.7° | 175.6° |
| H41 | N9 | C24 | C25 | 32.0° | 9.7° |
| H41 | N9 | C24 | C26 | 89.9° | 108.6° |
| H41 | N9 | C24 | H42 | 150.1° | 129.0° |
| C25 | C24 | C26 | H42 | 117.7° | 117.4° |
| C24 | C25 | O8 | N10 | 174.8° | 179.9° |
| C25 | C24 | C26 | C27 | 65.1° | 57.8° |
| C25 | C24 | C26 | H43 | 55.6° | 62.2° |
| C25 | C24 | C26 | H44 | 174.2° | 177.8° |
| C24 | C25 | N10 | C33 | 173.8° | 160.9° |
| C24 | C25 | N10 | H50 | 6.2° | 20.0° |
| C25 | C24 | N9 | C22 | 148.0° | 170.3° |
| C26 | C24 | C25 | O8 | 103.7° | 125.1° |
| C24 | C26 | C27 | H43 | 120.7° | 120.0° |
| C24 | C26 | C27 | H44 | 120.7° | 120.0° |
| C24 | C26 | H43 | H44 | 117.7° | 119.9° |
| C24 | C26 | C27 | C28 | 87.2° | 86.3° |
| C24 | C26 | C27 | C29 | 91.8° | 94.0° |
| C26 | C24 | N9 | C22 | 90.1° | 71.4° |
| C26 | C24 | C25 | N10 | 71.6° | 55.0° |
| H42 | C24 | C25 | O8 | 138.6° | 116.6° |
| H42 | C24 | C26 | C27 | 177.2° | 175.2° |
| H42 | C24 | C26 | H43 | 62.1° | 55.2° |
| H42 | C24 | C26 | H44 | 56.5° | 64.8° |
| H42 | C24 | N9 | C22 | 29.9° | 51.0° |
| H42 | C24 | C25 | N10 | 46.1° | 63.3° |
| O8 | C25 | N10 | C33 | 1.4° | 19.2° |
| O8 | C25 | N10 | H50 | 178.6° | 159.9° |
| C27 | C26 | H43 | H44 | 117.8° | 120.0° |
| C26 | C27 | C28 | C29 | 179.1° | 179.7° |
| C26 | C27 | C28 | C30 | 179.9° | 180.0° |
| C26 | C27 | C28 | H45 | 0.1° | 0.0° |
| C26 | C27 | C29 | C31 | 177.1° | 180.0° |
| C26 | C27 | C29 | H46 | 2.9° | 0.0° |
| H43 | C26 | C27 | C28 | 152.1° | 33.7° |
| H43 | C26 | C27 | C29 | 28.9° | 146.0° |
| H44 | C26 | C27 | C28 | 33.5° | 153.7° |
| H44 | C26 | C27 | C29 | 147.5° | 26.0° |
| C27 | C28 | C30 | H45 | 180.0° | 180.0° |
| C28 | C27 | C29 | C31 | 1.9° | 0.3° |
| C28 | C27 | C29 | H46 | 178.1° | 179.7° |
| C27 | C28 | C30 | C32 | 2.4° | 0.0° |
| C27 | C28 | C30 | H47 | 177.6° | 180.0° |
| C29 | C27 | C28 | C30 | 1.1° | 0.3° |
| C29 | C27 | C28 | H45 | 178.9° | 179.8° |
| C27 | C29 | C31 | H46 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 3.6° | 0.1° |
| C27 | C29 | C31 | H48 | 176.4° | 180.0° |
| C28 | C30 | C32 | H47 | 180.0° | 180.0° |
| C28 | C30 | C32 | C31 | 0.7° | 0.2° |
| C28 | C30 | C32 | H49 | 179.3° | 180.0° |
| H45 | C28 | C30 | C32 | 177.6° | 180.0° |
| H45 | C28 | C30 | H47 | 2.4° | 0.0° |
| C29 | C31 | C32 | C30 | 2.2° | 0.2° |
| C29 | C31 | C32 | H48 | 180.0° | 179.9° |
| C29 | C31 | C32 | H49 | 177.7° | 180.0° |
| H46 | C29 | C31 | C32 | 176.4° | 179.9° |
| H46 | C29 | C31 | H48 | 3.6° | 0.0° |
| C30 | C32 | C31 | H49 | 180.0° | 179.8° |
| C30 | C32 | C31 | H48 | 177.7° | 179.8° |
| H47 | C30 | C32 | C31 | 179.3° | 179.8° |
| H47 | C30 | C32 | H49 | 0.7° | 0.0° |
| H48 | C31 | C32 | H49 | 2.3° | 0.1° |
| C33 | N10 | H50 | C25 | 180.0° | 179.1° |
| N10 | C33 | C34 | H51 | 120.0° | 120.1° |
| N10 | C33 | C34 | H52 | 120.0° | 120.6° |
| N10 | C33 | H51 | H52 | 120.0° | 120.2° |
| N10 | C33 | C34 | O9 | 1.7° | 66.4° |
| N10 | C33 | C34 | N11 | 174.6° | 113.6° |
| H50 | N10 | C33 | C34 | 89.8° | 89.8° |
| H50 | N10 | C33 | H51 | 30.2° | 150.3° |
| H50 | N10 | C33 | H52 | 150.2° | 30.8° |
| C34 | C33 | H51 | H52 | 120.0° | 120.0° |
| C33 | C34 | O9 | N11 | 176.1° | 180.0° |
| C33 | C34 | N11 | C35 | 168.6° | 179.4° |
| C33 | C34 | N11 | C39 | 12.5° | 0.0° |
| C34 | C33 | N10 | C25 | 90.2° | 91.2° |
| H51 | C33 | C34 | O9 | 121.7° | 53.7° |
| H51 | C33 | N10 | C25 | 149.8° | 28.8° |
| H51 | C33 | C34 | N11 | 54.6° | 126.3° |
| H52 | C33 | C34 | O9 | 118.3° | 173.0° |
| H52 | C33 | N10 | C25 | 29.8° | 148.3° |
| H52 | C33 | C34 | N11 | 65.4° | 7.0° |
| O9 | C34 | N11 | C35 | 7.8° | 0.5° |
| O9 | C34 | N11 | C39 | 163.9° | 180.0° |
| C35 | N11 | C39 | C34 | 157.2° | 179.5° |
| N11 | C35 | C36 | C37 | 118.5° | 118.2° |
| N11 | C35 | C36 | H53 | 123.6° | 121.7° |
| N11 | C35 | C37 | H53 | 114.7° | 119.1° |
| N11 | C35 | C36 | O10 | 143.9° | 92.0° |
| N11 | C35 | C37 | C38 | 21.7° | 19.9° |
| N11 | C35 | C37 | H54 | 141.0° | 139.0° |
| N11 | C35 | C37 | H55 | 97.7° | 98.6° |
| C35 | N11 | C39 | C38 | 19.9° | 5.0° |
| C35 | N11 | C39 | H58 | 99.1° | 114.5° |
| C35 | N11 | C39 | H59 | 138.9° | 125.5° |
| N11 | C35 | C36 | N12 | 36.2° | 88.8° |
| C39 | N11 | C35 | C36 | 122.5° | 110.0° |
| C39 | N11 | C35 | C37 | 0.9° | 9.4° |
| C39 | N11 | C35 | H53 | 114.4° | 128.3° |
| N11 | C39 | C38 | C37 | 32.5° | 17.1° |
| N11 | C39 | C38 | H58 | 119.0° | 119.5° |
| N11 | C39 | C38 | H59 | 119.0° | 120.3° |
| N11 | C39 | C38 | H56 | 86.6° | 101.7° |
| N11 | C39 | C38 | H57 | 151.6° | 135.6° |
| N11 | C39 | H58 | H59 | 122.9° | 120.5° |
| C36 | C35 | C37 | H53 | 118.3° | 120.3° |
| C35 | C36 | O10 | N12 | 179.8° | 179.2° |
| C36 | C35 | C37 | C38 | 105.3° | 100.6° |
| C36 | C35 | C37 | H54 | 14.1° | 18.4° |
| C36 | C35 | C37 | H55 | 135.3° | 140.8° |
| C35 | C36 | N12 | C40 | 170.1° | 178.2° |
| C35 | C36 | N12 | H60 | 9.9° | 1.3° |
| C36 | C35 | N11 | C34 | 78.6° | 70.5° |
| C37 | C35 | C36 | O10 | 97.5° | 26.3° |
| C35 | C37 | C38 | H54 | 119.4° | 119.1° |
| C35 | C37 | C38 | H55 | 119.4° | 118.7° |
| C35 | C37 | H54 | H55 | 121.9° | 122.2° |
| C35 | C37 | C38 | C39 | 33.9° | 22.2° |
| C35 | C37 | C38 | H56 | 85.2° | 96.6° |
| C35 | C37 | C38 | H57 | 153.0° | 140.8° |
| C37 | C35 | N11 | C34 | 158.0° | 170.1° |
| C37 | C35 | C36 | N12 | 82.3° | 153.0° |
| H53 | C35 | C36 | O10 | 20.4° | 146.4° |
| H53 | C35 | C37 | C38 | 136.4° | 139.1° |
| H53 | C35 | C37 | H54 | 104.2° | 101.9° |
| H53 | C35 | C37 | H55 | 17.0° | 20.5° |
| H53 | C35 | N11 | C34 | 44.5° | 51.2° |
| H53 | C35 | C36 | N12 | 159.8° | 32.9° |
| O10 | C36 | N12 | C40 | 9.7° | 1.0° |
| O10 | C36 | N12 | H60 | 170.3° | 179.5° |
| C38 | C37 | H54 | H55 | 121.8° | 121.9° |
| C37 | C38 | C39 | H56 | 119.1° | 118.8° |
| C37 | C38 | C39 | H57 | 119.1° | 118.5° |
| C37 | C38 | H56 | H57 | 122.6° | 122.4° |
| C37 | C38 | C39 | H58 | 86.5° | 102.4° |
| C37 | C38 | C39 | H59 | 151.5° | 137.4° |
| H54 | C37 | C38 | C39 | 153.3° | 141.3° |
| H54 | C37 | C38 | H56 | 34.2° | 22.5° |
| H54 | C37 | C38 | H57 | 87.7° | 100.1° |
| H55 | C37 | C38 | C39 | 85.5° | 96.4° |
| H55 | C37 | C38 | H56 | 155.4° | 144.8° |
| H55 | C37 | C38 | H57 | 33.6° | 22.2° |
| C39 | C38 | H56 | H57 | 122.7° | 122.6° |
| C38 | C39 | H58 | H59 | 122.9° | 120.9° |
| C38 | C39 | N11 | C34 | 177.1° | 175.5° |
| H56 | C38 | C39 | H58 | 154.4° | 138.8° |
| H56 | C38 | C39 | H59 | 32.4° | 18.6° |
| H57 | C38 | C39 | H58 | 32.5° | 16.1° |
| H57 | C38 | C39 | H59 | 89.4° | 104.1° |
| H58 | C39 | N11 | C34 | 58.1° | 65.0° |
| H59 | C39 | N11 | C34 | 63.9° | 55.0° |
| C40 | N12 | H60 | C36 | 180.0° | 179.6° |
| N12 | C40 | C41 | C42 | 122.5° | 120.1° |
| N12 | C40 | C41 | H61 | 120.9° | 120.3° |
| N12 | C40 | C42 | H61 | 115.9° | 119.8° |
| N12 | C40 | C41 | O11 | 147.5° | 9.2° |
| N12 | C40 | C42 | C43 | 74.9° | 67.8° |
| N12 | C40 | C42 | H62 | 45.7° | 52.2° |
| N12 | C40 | C42 | H63 | 164.6° | 172.1° |
| N12 | C40 | C41 | N13 | 30.9° | 171.4° |
| H60 | N12 | C40 | C41 | 100.5° | 9.8° |
| H60 | N12 | C40 | C42 | 23.9° | 110.4° |
| H60 | N12 | C40 | H61 | 139.3° | 129.9° |
| C41 | C40 | C42 | H61 | 116.1° | 119.5° |
| C40 | C41 | O11 | N13 | 178.3° | 179.4° |
| C41 | C40 | C42 | C43 | 157.2° | 171.4° |
| C41 | C40 | C42 | H62 | 82.2° | 68.6° |
| C41 | C40 | C42 | H63 | 36.6° | 51.4° |
| C40 | C41 | N13 | C49 | 170.9° | 172.4° |
| C40 | C41 | N13 | H69 | 9.1° | 8.7° |
| C41 | C40 | N12 | C36 | 79.4° | 169.8° |
| C42 | C40 | C41 | O11 | 90.0° | 129.3° |
| C40 | C42 | C43 | H62 | 120.6° | 120.0° |
| C40 | C42 | C43 | H63 | 120.6° | 120.0° |
| C40 | C42 | H62 | H63 | 118.1° | 120.0° |
| C40 | C42 | C43 | C44 | 56.9° | 97.9° |
| C40 | C42 | C43 | C45 | 122.7° | 82.4° |
| C42 | C40 | N12 | C36 | 156.1° | 70.0° |
| C42 | C40 | C41 | N13 | 91.7° | 51.3° |
| H61 | C40 | C41 | O11 | 26.6° | 111.1° |
| H61 | C40 | C42 | C43 | 41.0° | 52.0° |
| H61 | C40 | C42 | H62 | 161.6° | 172.0° |
| H61 | C40 | C42 | H63 | 79.5° | 68.1° |
| H61 | C40 | N12 | C36 | 40.7° | 49.7° |
| H61 | C40 | C41 | N13 | 151.8° | 68.3° |
| O11 | C41 | N13 | C49 | 7.6° | 8.2° |
| O11 | C41 | N13 | H69 | 172.4° | 170.7° |
| C43 | C42 | H62 | H63 | 118.1° | 120.0° |
| C42 | C43 | C44 | C45 | 179.6° | 179.8° |
| C42 | C43 | C44 | C46 | 177.5° | 180.0° |
| C42 | C43 | C44 | H64 | 2.5° | 0.0° |
| C42 | C43 | C45 | C47 | 179.2° | 180.0° |
| C42 | C43 | C45 | H65 | 0.8° | 0.1° |
| H62 | C42 | C43 | C44 | 177.5° | 22.2° |
| H62 | C42 | C43 | C45 | 2.1° | 157.6° |
| H63 | C42 | C43 | C44 | 63.7° | 142.1° |
| H63 | C42 | C43 | C45 | 116.7° | 37.6° |
| C43 | C44 | C46 | H64 | 180.0° | 180.0° |
| C44 | C43 | C45 | C47 | 1.2° | 0.3° |
| C44 | C43 | C45 | H65 | 178.8° | 179.7° |
| C43 | C44 | C46 | C48 | 2.0° | 0.0° |
| C43 | C44 | C46 | H66 | 178.0° | 180.0° |
| C45 | C43 | C44 | C46 | 2.9° | 0.3° |
| C45 | C43 | C44 | H64 | 177.1° | 179.7° |
| C43 | C45 | C47 | H65 | 180.0° | 180.0° |
| C43 | C45 | C47 | C48 | 1.3° | 0.0° |
| C43 | C45 | C47 | H67 | 178.7° | 180.0° |
| C44 | C46 | C48 | H66 | 180.0° | 180.0° |
| C44 | C46 | C48 | C47 | 0.7° | 0.2° |
| C44 | C46 | C48 | H68 | 179.4° | 180.0° |
| H64 | C44 | C46 | C48 | 178.0° | 180.0° |
| H64 | C44 | C46 | H66 | 2.0° | 0.0° |
| C45 | C47 | C48 | C46 | 2.3° | 0.2° |
| C45 | C47 | C48 | H67 | 180.0° | 180.0° |
| C45 | C47 | C48 | H68 | 177.7° | 180.0° |
| H65 | C45 | C47 | C48 | 178.7° | 179.9° |
| H65 | C45 | C47 | H67 | 1.3° | 0.0° |
| C46 | C48 | C47 | H68 | 180.0° | 179.8° |
| C46 | C48 | C47 | H67 | 177.7° | 179.8° |
| H66 | C46 | C48 | C47 | 179.3° | 179.8° |
| H66 | C46 | C48 | H68 | 0.7° | 0.0° |
| H67 | C47 | C48 | H68 | 2.3° | 0.1° |
| N13 | C49 | C50 | C51 | 132.7° | 122.7° |
| N13 | C49 | C50 | H70 | 116.5° | 118.9° |
| N13 | C49 | C51 | H70 | 115.3° | 120.1° |
| N13 | C49 | C50 | O12 | 144.7° | 107.6° |
| N13 | C49 | C51 | C52 | 47.8° | 142.0° |
| C49 | N13 | H69 | C41 | 180.0° | 178.9° |
| N13 | C49 | C51 | H71 | 173.3° | 98.6° |
| N13 | C49 | C51 | S2 | 68.9° | 22.0° |
| N13 | C49 | C50 | N14 | 34.0° | 72.5° |
| C50 | C49 | C51 | H70 | 111.0° | 117.8° |
| C49 | C50 | O12 | N14 | 178.5° | 179.9° |
| C50 | C49 | C51 | C52 | 178.5° | 95.8° |
| C50 | C49 | N13 | H69 | 114.7° | 56.1° |
| C50 | C49 | C51 | H71 | 53.0° | 23.5° |
| C49 | C50 | N14 | C53 | 179.9° | 177.9° |
| C49 | C50 | N14 | H75 | 0.1° | 2.2° |
| C50 | C49 | C51 | S2 | 64.8° | 144.1° |
| C50 | C49 | N13 | C41 | 65.3° | 122.8° |
| C51 | C49 | C50 | O12 | 82.6° | 129.7° |
| C49 | C51 | C52 | H71 | 125.4° | 119.6° |
| C49 | C51 | C52 | S2 | 122.3° | 120.7° |
| C51 | C49 | N13 | H69 | 13.7° | 65.6° |
| C49 | C51 | H71 | S2 | 122.0° | 121.1° |
| C49 | C51 | C52 | H72 | 180.0° | 60.7° |
| C49 | C51 | C52 | H73 | 60.0° | 59.3° |
| C49 | C51 | C52 | H74 | 60.0° | 179.3° |
| C51 | C49 | N13 | C41 | 166.3° | 115.5° |
| C51 | C49 | C50 | N14 | 98.7° | 50.2° |
| O12 | C50 | C49 | H70 | 28.1° | 11.3° |
| O12 | C50 | N14 | C53 | 1.4° | 2.0° |
| O12 | C50 | N14 | H75 | 178.7° | 177.9° |
| C52 | C51 | C49 | H70 | 67.5° | 22.0° |
| C52 | C51 | H71 | S2 | 110.2° | 119.7° |
| C51 | C52 | H72 | H73 | 120.0° | 120.1° |
| C51 | C52 | H72 | H74 | 120.0° | 119.9° |
| C51 | C52 | H73 | H74 | 120.0° | 120.0° |
| H69 | N13 | C49 | H70 | 128.8° | 174.4° |
| H70 | C49 | C51 | H71 | 58.0° | 141.3° |
| H70 | C49 | C51 | S2 | 175.8° | 98.1° |
| H70 | C49 | N13 | C41 | 51.2° | 4.5° |
| H70 | C49 | C50 | N14 | 150.5° | 168.6° |
| H71 | C51 | C52 | H72 | 54.6° | 179.6° |
| H71 | C51 | C52 | H73 | 174.6° | 60.3° |
| H71 | C51 | C52 | H74 | 65.4° | 59.7° |
| H72 | C52 | H73 | H74 | 120.0° | 120.0° |
| H72 | C52 | C51 | S2 | 57.7° | 59.9° |
| H73 | C52 | C51 | S2 | 62.3° | 180.0° |
| H74 | C52 | C51 | S2 | 177.7° | 60.0° |
| C53 | N14 | H75 | C50 | 180.0° | 179.9° |
| N14 | C53 | C54 | C55 | 137.3° | 120.0° |
| N14 | C53 | C54 | H76 | 114.9° | 119.9° |
| N14 | C53 | C55 | H76 | 111.2° | 119.5° |
| N14 | C53 | C54 | O13 | 160.1° | 94.1° |
| N14 | C53 | C55 | C56 | 80.0° | 65.0° |
| N14 | C53 | C55 | H77 | 159.3° | 55.1° |
| N14 | C53 | C55 | H78 | 40.7° | 175.0° |
| N14 | C53 | C54 | N15 | 21.9° | 86.0° |
| H75 | N14 | C53 | C54 | 45.8° | 15.7° |
| H75 | N14 | C53 | C55 | 88.4° | 104.2° |
| H75 | N14 | C53 | H76 | 160.6° | 135.9° |
| C54 | C53 | C55 | H76 | 107.8° | 120.0° |
| C53 | C54 | O13 | N15 | 178.0° | 179.9° |
| C54 | C53 | C55 | C56 | 61.0° | 174.6° |
| C54 | C53 | C55 | H77 | 59.7° | 65.4° |
| C54 | C53 | C55 | H78 | 178.2° | 54.5° |
| C53 | C54 | N15 | C62 | 174.5° | 155.7° |
| C53 | C54 | N15 | H84 | 5.5° | 24.4° |
| C54 | C53 | N14 | C50 | 134.2° | 164.4° |
| C55 | C53 | C54 | O13 | 62.7° | 25.9° |
| C53 | C55 | C56 | H77 | 120.7° | 120.0° |
| C53 | C55 | C56 | H78 | 120.7° | 120.0° |
| C53 | C55 | H77 | H78 | 117.8° | 120.0° |
| C53 | C55 | C56 | C57 | 87.5° | 90.0° |
| C53 | C55 | C56 | C58 | 93.8° | 90.3° |
| C55 | C53 | N14 | C50 | 91.6° | 75.7° |
| C55 | C53 | C54 | N15 | 115.4° | 154.0° |
| H76 | C53 | C54 | O13 | 45.1° | 146.0° |
| H76 | C53 | C55 | C56 | 168.8° | 54.5° |
| H76 | C53 | C55 | H77 | 48.1° | 174.6° |
| H76 | C53 | C55 | H78 | 70.4° | 65.5° |
| H76 | C53 | N14 | C50 | 19.4° | 44.2° |
| H76 | C53 | C54 | N15 | 136.8° | 33.9° |
| O13 | C54 | N15 | C62 | 7.5° | 24.2° |
| O13 | C54 | N15 | H84 | 172.5° | 155.7° |
| C56 | C55 | H77 | H78 | 117.8° | 120.0° |
| C55 | C56 | C57 | C58 | 178.8° | 179.7° |
| C55 | C56 | C57 | C59 | 179.5° | 180.0° |
| C55 | C56 | C57 | H79 | 0.5° | 0.1° |
| C55 | C56 | C58 | C60 | 179.4° | 180.0° |
| C55 | C56 | C58 | H80 | 0.6° | 0.0° |
| H77 | C55 | C56 | C57 | 151.8° | 30.0° |
| H77 | C55 | C56 | C58 | 26.9° | 149.7° |
| H78 | C55 | C56 | C57 | 33.3° | 149.9° |
| H78 | C55 | C56 | C58 | 145.5° | 29.7° |
| C56 | C57 | C59 | H79 | 180.0° | 179.9° |
| C57 | C56 | C58 | C60 | 0.6° | 0.3° |
| C57 | C56 | C58 | H80 | 179.4° | 179.7° |
| C56 | C57 | C59 | C61 | 0.5° | 0.1° |
| C56 | C57 | C59 | H81 | 179.5° | 180.0° |
| C58 | C56 | C57 | C59 | 0.7° | 0.4° |
| C58 | C56 | C57 | H79 | 179.3° | 179.7° |
| C56 | C58 | C60 | H80 | 180.0° | 180.0° |
| C56 | C58 | C60 | C61 | 0.2° | 0.0° |
| C56 | C58 | C60 | H82 | 179.8° | 180.0° |
| C57 | C59 | C61 | H81 | 180.0° | 179.9° |
| C57 | C59 | C61 | C60 | 0.1° | 0.2° |
| C57 | C59 | C61 | H83 | 179.9° | 180.0° |
| H79 | C57 | C59 | C61 | 179.5° | 180.0° |
| H79 | C57 | C59 | H81 | 0.5° | 0.1° |
| C58 | C60 | C61 | C59 | 0.1° | 0.2° |
| C58 | C60 | C61 | H82 | 180.0° | 180.0° |
| C58 | C60 | C61 | H83 | 179.9° | 180.0° |
| H80 | C58 | C60 | C61 | 179.8° | 180.0° |
| H80 | C58 | C60 | H82 | 0.2° | 0.0° |
| C59 | C61 | C60 | H83 | 180.0° | 179.8° |
| C59 | C61 | C60 | H82 | 179.9° | 179.7° |
| H81 | C59 | C61 | C60 | 179.9° | 179.7° |
| H81 | C59 | C61 | H83 | 0.1° | 0.1° |
| H82 | C60 | C61 | H83 | 0.1° | 0.0° |
| C62 | N15 | H84 | C54 | 180.0° | 179.9° |
| N15 | C62 | C63 | C64 | 123.7° | 125.2° |
| N15 | C62 | C63 | H85 | 117.0° | 116.9° |
| N15 | C62 | C64 | H85 | 119.7° | 117.2° |
| N15 | C62 | C63 | O14 | 69.2° | 109.7° |
| N15 | C62 | C64 | C65 | 175.0° | 179.7° |
| N15 | C62 | C64 | C66 | 57.4° | 60.3° |
| N15 | C62 | C64 | H86 | 58.1° | 59.7° |
| N15 | C62 | C63 | N16 | 113.0° | 70.5° |
| H84 | N15 | C62 | C63 | 89.7° | 16.3° |
| H84 | N15 | C62 | C64 | 34.7° | 109.1° |
| H84 | N15 | C62 | H85 | 153.9° | 133.5° |
| C63 | C62 | C64 | H85 | 119.2° | 118.0° |
| C62 | C63 | O14 | N16 | 177.6° | 179.8° |
| C63 | C62 | C64 | C65 | 54.0° | 54.9° |
| C63 | C62 | C64 | C66 | 178.5° | 174.9° |
| C63 | C62 | C64 | H86 | 63.0° | 65.1° |
| C62 | C63 | N16 | C67 | 178.7° | 3.6° |
| C62 | C63 | N16 | H93 | 1.2° | 176.1° |
| C63 | C62 | N15 | C54 | 90.3° | 163.8° |
| C64 | C62 | C63 | O14 | 54.5° | 125.1° |
| C62 | C64 | C65 | C66 | 125.3° | 120.0° |
| C62 | C64 | C65 | H86 | 117.1° | 120.0° |
| C62 | C64 | C66 | H86 | 115.3° | 120.0° |
| C62 | C64 | C65 | H87 | 180.0° | 55.2° |
| C62 | C64 | C65 | H88 | 60.0° | 175.2° |
| C62 | C64 | C65 | H89 | 60.0° | 64.8° |
| C62 | C64 | C66 | H90 | 180.0° | 77.0° |
| C62 | C64 | C66 | H91 | 60.0° | 162.9° |
| C62 | C64 | C66 | H92 | 60.0° | 42.9° |
| C64 | C62 | N15 | C54 | 145.3° | 70.8° |
| C64 | C62 | C63 | N16 | 123.2° | 54.7° |
| H85 | C62 | C63 | O14 | 173.8° | 7.2° |
| H85 | C62 | C64 | C65 | 65.2° | 63.1° |
| H85 | C62 | C64 | C66 | 62.3° | 56.9° |
| H85 | C62 | C64 | H86 | 177.8° | 176.8° |
| H85 | C62 | N15 | C54 | 26.1° | 46.5° |
| H85 | C62 | C63 | N16 | 4.0° | 172.6° |
| O14 | C63 | N16 | C67 | 3.5° | 176.2° |
| O14 | C63 | N16 | H93 | 176.5° | 4.1° |
| C65 | C64 | C66 | H86 | 117.4° | 120.0° |
| C64 | C65 | H87 | H88 | 120.0° | 120.0° |
| C64 | C65 | H87 | H89 | 120.0° | 120.0° |
| C64 | C65 | H88 | H89 | 120.0° | 120.0° |
| C65 | C64 | C66 | H90 | 52.7° | 162.9° |
| C65 | C64 | C66 | H91 | 67.3° | 42.9° |
| C65 | C64 | C66 | H92 | 172.6° | 77.1° |
| C66 | C64 | C65 | H87 | 54.7° | 64.8° |
| C66 | C64 | C65 | H88 | 174.7° | 55.2° |
| C66 | C64 | C65 | H89 | 65.3° | 175.2° |
| C64 | C66 | H90 | H91 | 120.0° | 120.0° |
| C64 | C66 | H90 | H92 | 120.0° | 120.0° |
| C64 | C66 | H91 | H92 | 120.0° | 120.0° |
| H86 | C64 | C65 | H87 | 62.9° | 175.2° |
| H86 | C64 | C65 | H88 | 57.0° | 64.7° |
| H86 | C64 | C65 | H89 | 177.1° | 55.2° |
| H86 | C64 | C66 | H90 | 64.7° | 43.0° |
| H86 | C64 | C66 | H91 | 175.3° | 77.1° |
| H86 | C64 | C66 | H92 | 55.3° | 162.9° |
| H87 | C65 | H88 | H89 | 119.9° | 120.0° |
| H90 | C66 | H91 | H92 | 120.0° | 119.9° |
| C67 | N16 | H93 | C63 | 180.0° | 179.7° |
| N16 | C67 | C68 | C69 | 120.8° | 119.6° |
| N16 | C67 | C68 | H94 | 122.1° | 122.2° |
| N16 | C67 | C69 | H94 | 122.1° | 122.0° |
| N16 | C67 | C68 | O15 | 39.0° | 179.1° |
| N16 | C67 | C69 | S3 | 154.9° | 144.9° |
| N16 | C67 | C69 | H95 | 34.9° | 95.0° |
| N16 | C67 | C69 | H96 | 85.0° | 25.3° |
| N16 | C67 | C68 | N17 | 134.8° | 0.8° |
| H93 | N16 | C67 | C68 | 124.8° | 82.5° |
| H93 | N16 | C67 | C69 | 7.8° | 35.9° |
| H93 | N16 | C67 | H94 | 113.8° | 156.4° |
| C68 | C67 | C69 | H94 | 116.9° | 118.7° |
| C67 | C68 | O15 | N17 | 173.7° | 179.9° |
| C68 | C67 | C69 | S3 | 84.1° | 25.6° |
| C68 | C67 | C69 | H95 | 155.9° | 145.7° |
| C68 | C67 | C69 | H96 | 36.0° | 94.0° |
| C67 | C68 | N17 | C71 | 173.4° | 174.9° |
| C67 | C68 | N17 | H100 | 6.7° | 5.2° |
| C68 | C67 | N16 | C63 | 55.2° | 97.8° |
| C69 | C67 | C68 | O15 | 81.8° | 61.2° |
| C67 | C69 | S3 | H95 | 120.1° | 120.2° |
| C67 | C69 | S3 | H96 | 120.1° | 119.5° |
| C67 | C69 | H95 | H96 | 119.8° | 119.9° |
| C67 | C69 | S3 | C16 | 71.1° | 124.6° |
| C69 | C67 | N16 | C63 | 172.3° | 143.8° |
| C69 | C67 | C68 | N17 | 104.4° | 118.8° |
| H94 | C67 | C68 | O15 | 161.1° | 57.0° |
| H94 | C67 | C69 | S3 | 32.8° | 93.2° |
| H94 | C67 | C69 | H95 | 87.2° | 27.0° |
| H94 | C67 | C69 | H96 | 152.9° | 147.3° |
| H94 | C67 | N16 | C63 | 66.2° | 23.3° |
| H94 | C67 | C68 | N17 | 12.7° | 122.9° |
| O15 | C68 | N17 | C71 | 0.8° | 5.1° |
| O15 | C68 | N17 | H100 | 179.2° | 174.9° |
| S3 | C69 | H95 | H96 | 119.9° | 119.9° |
| H95 | C69 | S3 | C16 | 49.0° | 4.4° |
| H96 | C69 | S3 | C16 | 168.8° | 115.9° |
| O16 | C70 | C71 | N18 | 177.8° | 179.9° |
| O16 | C70 | C71 | N17 | 177.3° | 159.6° |
| O16 | C70 | C71 | C72 | 50.6° | 80.5° |
| O16 | C70 | C71 | H97 | 64.8° | 39.5° |
| O16 | C70 | N18 | C74 | 7.4° | 5.1° |
| O16 | C70 | N18 | H102 | 172.6° | 174.9° |
| C70 | C71 | N17 | C72 | 126.4° | 120.0° |
| C70 | C71 | N17 | H97 | 117.5° | 120.0° |
| C70 | C71 | N17 | H100 | 42.6° | 29.9° |
| C70 | C71 | C72 | H97 | 115.6° | 120.0° |
| C70 | C71 | C72 | H98 | 46.1° | 53.8° |
| C70 | C71 | C72 | C73 | 71.4° | 173.9° |
| C70 | C71 | C72 | O17 | 163.7° | 66.1° |
| C71 | C70 | N18 | C74 | 174.8° | 174.9° |
| C71 | C70 | N18 | H102 | 5.2° | 5.1° |
| C70 | C71 | N17 | C68 | 137.4° | 150.1° |
| C71 | N17 | H100 | C68 | 180.0° | 180.0° |
| N17 | C71 | C72 | H97 | 116.6° | 120.0° |
| N17 | C71 | C72 | H98 | 173.9° | 66.1° |
| N17 | C71 | C72 | C73 | 56.4° | 53.9° |
| N17 | C71 | C72 | O17 | 68.4° | 173.9° |
| N17 | C71 | C70 | N18 | 0.5° | 20.5° |
| H100 | N17 | C71 | C72 | 83.8° | 90.1° |
| H100 | N17 | C71 | H97 | 160.1° | 149.9° |
| C71 | C72 | H98 | C73 | 120.4° | 120.0° |
| C71 | C72 | H98 | O17 | 118.4° | 120.0° |
| C71 | C72 | C73 | O17 | 123.5° | 120.0° |
| C71 | C72 | C73 | O19 | 42.3° | 106.7° |
| C71 | C72 | C73 | O18 | 138.2° | 73.3° |
| C71 | C72 | O17 | H99 | 180.0° | 55.0° |
| C72 | C71 | N17 | C68 | 96.2° | 89.9° |
| C72 | C71 | C70 | N18 | 127.2° | 99.5° |
| H97 | C71 | C72 | H98 | 69.5° | 173.8° |
| H97 | C71 | C72 | C73 | 173.0° | 66.1° |
| H97 | C71 | C72 | O17 | 48.2° | 53.9° |
| H97 | C71 | N17 | C68 | 19.9° | 30.1° |
| H97 | C71 | C70 | N18 | 117.4° | 140.5° |
| H98 | C72 | C73 | O17 | 118.8° | 119.9° |
| H98 | C72 | C73 | O19 | 75.3° | 133.3° |
| H98 | C72 | C73 | O18 | 104.1° | 46.7° |
| H98 | C72 | O17 | H99 | 62.8° | 64.9° |
| C72 | C73 | O19 | O18 | 179.5° | 180.0° |
| C72 | C73 | O18 | H101 | 179.4° | 175.0° |
| C73 | C72 | O17 | H99 | 55.3° | 175.1° |
| O17 | C72 | C73 | O19 | 165.8° | 13.4° |
| O17 | C72 | C73 | O18 | 14.7° | 166.7° |
| O19 | C73 | O18 | H101 | 0.0° | 5.1° |
| C74 | N18 | H102 | C70 | 180.0° | 180.0° |
| N18 | C74 | C75 | H103 | 119.9° | 120.0° |
| N18 | C74 | C75 | H104 | 119.9° | 120.0° |
| N18 | C74 | H103 | H104 | 120.3° | 120.0° |
| N18 | C74 | C75 | O20 | 16.9° | 5.0° |
| N18 | C74 | C75 | N19 | 167.1° | 175.0° |
| H102 | N18 | C74 | C75 | 9.9° | 5.0° |
| H102 | N18 | C74 | H103 | 129.8° | 125.0° |
| H102 | N18 | C74 | H104 | 110.0° | 115.0° |
| C75 | C74 | H103 | H104 | 120.3° | 120.0° |
| C74 | C75 | O20 | N19 | 175.5° | 180.0° |
| C74 | C75 | N19 | C76 | 178.3° | 177.9° |
| C74 | C75 | N19 | H105 | 1.7° | 2.1° |
| C75 | C74 | N18 | C70 | 170.1° | 175.0° |
| H103 | C74 | C75 | O20 | 136.8° | 114.9° |
| H103 | C74 | N18 | C70 | 50.2° | 55.0° |
| H103 | C74 | C75 | N19 | 47.2° | 65.0° |
| H104 | C74 | C75 | O20 | 103.0° | 125.1° |
| H104 | C74 | N18 | C70 | 70.1° | 65.0° |
| H104 | C74 | C75 | N19 | 73.0° | 55.0° |
| O20 | C75 | N19 | C76 | 5.9° | 2.1° |
| O20 | C75 | N19 | H105 | 174.1° | 177.9° |
| C76 | N19 | H105 | C75 | 180.0° | 180.0° |
| N19 | C76 | C77 | C78 | 114.4° | 120.0° |
| N19 | C76 | C77 | H106 | 122.9° | 120.0° |
| N19 | C76 | C78 | H106 | 122.4° | 120.0° |
| N19 | C76 | C77 | O21 | 27.5° | 5.3° |
| N19 | C76 | C78 | C79 | 174.5° | 62.8° |
| N19 | C76 | C78 | H107 | 53.8° | 57.2° |
| N19 | C76 | C78 | H108 | 64.7° | 177.2° |
| N19 | C76 | C77 | N21 | 155.5° | 174.7° |
| H105 | N19 | C76 | C77 | 52.3° | 40.4° |
| H105 | N19 | C76 | C78 | 64.2° | 79.6° |
| H105 | N19 | C76 | H106 | 174.3° | 160.5° |
| C77 | C76 | C78 | H106 | 122.7° | 120.0° |
| C76 | C77 | O21 | N21 | 176.8° | 180.0° |
| C77 | C76 | C78 | C79 | 70.5° | 177.2° |
| C77 | C76 | C78 | H107 | 168.7° | 62.8° |
| C77 | C76 | C78 | H108 | 50.3° | 57.2° |
| C76 | C77 | N21 | C80 | 179.5° | 174.9° |
| C76 | C77 | N21 | H111 | 0.5° | 5.1° |
| C77 | C76 | N19 | C75 | 127.8° | 139.5° |
| C78 | C76 | C77 | O21 | 86.9° | 114.7° |
| C76 | C78 | C79 | H107 | 120.8° | 120.0° |
| C76 | C78 | C79 | H108 | 120.7° | 120.1° |
| C76 | C78 | H107 | H108 | 117.6° | 120.0° |
| C76 | C78 | C79 | O22 | 19.4° | 6.6° |
| C76 | C78 | C79 | N20 | 161.0° | 173.4° |
| C78 | C76 | N19 | C75 | 115.8° | 100.4° |
| C78 | C76 | C77 | N21 | 90.1° | 65.3° |
| H106 | C76 | C77 | O21 | 150.4° | 125.4° |
| H106 | C76 | C78 | C79 | 52.1° | 57.2° |
| H106 | C76 | C78 | H107 | 68.6° | 177.2° |
| H106 | C76 | C78 | H108 | 172.9° | 62.8° |
| H106 | C76 | N19 | C75 | 5.7° | 19.5° |
| H106 | C76 | C77 | N21 | 32.6° | 54.7° |
| O21 | C77 | N21 | C80 | 2.6° | 5.1° |
| O21 | C77 | N21 | H111 | 177.4° | 174.9° |
| C79 | C78 | H107 | H108 | 117.7° | 120.0° |
| C78 | C79 | O22 | N20 | 179.6° | 180.0° |
| C78 | C79 | N20 | H109 | 179.7° | 0.0° |
| C78 | C79 | N20 | H110 | 0.4° | 180.0° |
| H107 | C78 | C79 | O22 | 101.4° | 126.6° |
| H107 | C78 | C79 | N20 | 78.3° | 53.4° |
| H108 | C78 | C79 | O22 | 140.1° | 113.4° |
| H108 | C78 | C79 | N20 | 40.2° | 66.6° |
| O22 | C79 | N20 | H109 | 0.0° | 180.0° |
| O22 | C79 | N20 | H110 | 180.0° | 0.0° |
| C79 | N20 | H109 | H110 | 180.0° | 180.0° |
| N21 | C80 | C81 | C82 | 138.1° | 120.0° |
| N21 | C80 | C81 | H112 | 111.4° | 120.1° |
| N21 | C80 | C82 | H112 | 113.0° | 120.0° |
| N21 | C80 | C81 | O23 | 177.9° | 0.0° |
| N21 | C80 | C82 | C83 | 44.1° | 67.8° |
| C80 | N21 | H111 | C77 | 180.0° | 180.0° |
| N21 | C80 | C82 | H113 | 165.3° | 172.2° |
| N21 | C80 | C82 | H114 | 77.1° | 52.2° |
| N21 | C80 | C81 | N22 | 3.3° | 180.0° |
| C81 | C80 | C82 | H112 | 110.8° | 119.9° |
| C80 | C81 | O23 | N22 | 178.7° | 180.0° |
| C81 | C80 | C82 | C83 | 179.6° | 172.2° |
| C81 | C80 | N21 | H111 | 77.9° | 30.2° |
| C81 | C80 | C82 | H113 | 58.4° | 52.1° |
| C81 | C80 | C82 | H114 | 59.1° | 67.8° |
| C80 | C81 | N22 | C84 | 172.0° | 180.0° |
| C80 | C81 | N22 | H118 | 8.0° | 0.0° |
| C81 | C80 | N21 | C77 | 102.1° | 149.7° |
| C82 | C80 | C81 | O23 | 44.0° | 120.0° |
| C80 | C82 | C83 | H113 | 121.2° | 120.0° |
| C80 | C82 | C83 | H114 | 121.2° | 120.0° |
| C82 | C80 | N21 | H111 | 58.3° | 89.8° |
| C80 | C82 | H113 | H114 | 116.2° | 120.0° |
| C80 | C82 | C83 | H115 | 180.0° | 55.1° |
| C80 | C82 | C83 | H116 | 60.0° | 64.9° |
| C80 | C82 | C83 | H117 | 60.0° | 175.0° |
| C82 | C80 | N21 | C77 | 121.7° | 90.3° |
| C82 | C80 | C81 | N22 | 134.9° | 60.0° |
| O23 | C81 | C80 | H112 | 66.5° | 120.1° |
| O23 | C81 | N22 | C84 | 9.4° | 0.0° |
| O23 | C81 | N22 | H118 | 170.6° | 180.0° |
| C83 | C82 | C80 | H112 | 68.9° | 52.3° |
| C83 | C82 | H113 | H114 | 116.2° | 120.0° |
| C82 | C83 | H115 | H116 | 120.0° | 120.0° |
| C82 | C83 | H115 | H117 | 120.0° | 120.0° |
| C82 | C83 | H116 | H117 | 120.0° | 120.1° |
| H111 | N21 | C80 | H112 | 170.9° | 150.3° |
| H112 | C80 | C82 | H113 | 52.4° | 67.8° |
| H112 | C80 | C82 | H114 | 169.9° | 172.2° |
| H112 | C80 | N21 | C77 | 9.1° | 29.7° |
| H112 | C80 | C81 | N22 | 114.7° | 60.0° |
| H113 | C82 | C83 | H115 | 58.8° | 175.1° |
| H113 | C82 | C83 | H116 | 178.8° | 55.1° |
| H113 | C82 | C83 | H117 | 61.2° | 64.9° |
| H114 | C82 | C83 | H115 | 58.8° | 64.9° |
| H114 | C82 | C83 | H116 | 61.2° | 175.1° |
| H114 | C82 | C83 | H117 | 178.8° | 55.1° |
| H115 | C83 | H116 | H117 | 120.0° | 119.9° |
| C84 | N22 | H118 | C81 | 180.0° | 180.0° |
| N22 | C84 | C85 | C86 | 125.4° | 120.0° |
| N22 | C84 | C85 | H119 | 119.7° | 120.0° |
| N22 | C84 | C86 | H119 | 115.8° | 120.0° |
| N22 | C84 | C85 | O24 | 14.3° | 0.0° |
| N22 | C84 | C85 | O25 | 167.1° | 180.0° |
| N22 | C84 | C86 | C87 | 43.8° | 65.0° |
| N22 | C84 | C86 | H120 | 76.8° | 55.0° |
| N22 | C84 | C86 | H121 | 164.4° | 175.0° |
| H118 | N22 | C84 | C85 | 102.0° | 95.0° |
| H118 | N22 | C84 | C86 | 23.6° | 25.0° |
| H118 | N22 | C84 | H119 | 138.9° | 144.9° |
| C85 | C84 | C86 | H119 | 114.7° | 120.1° |
| C84 | C85 | O24 | O25 | 178.7° | 180.0° |
| C85 | C84 | C86 | C87 | 173.3° | 175.0° |
| C85 | C84 | C86 | H120 | 52.8° | 65.0° |
| C85 | C84 | C86 | H121 | 66.1° | 55.1° |
| C84 | C85 | O25 | H131 | 178.7° | 180.0° |
| C85 | C84 | N22 | C81 | 78.0° | 85.0° |
| C86 | C84 | C85 | O24 | 111.2° | 120.0° |
| C86 | C84 | C85 | O25 | 67.5° | 60.0° |
| C84 | C86 | C87 | H120 | 120.5° | 120.0° |
| C84 | C86 | C87 | H121 | 120.6° | 120.0° |
| C84 | C86 | H120 | H121 | 118.3° | 120.1° |
| C84 | C86 | C87 | C88 | 176.9° | 180.0° |
| C84 | C86 | C87 | H122 | 63.3° | 60.0° |
| C84 | C86 | C87 | H123 | 57.1° | 60.0° |
| C86 | C84 | N22 | C81 | 156.5° | 155.0° |
| H119 | C84 | C85 | O24 | 134.0° | 120.0° |
| H119 | C84 | C85 | O25 | 47.4° | 60.0° |
| H119 | C84 | C86 | C87 | 72.0° | 55.0° |
| H119 | C84 | C86 | H120 | 167.4° | 175.0° |
| H119 | C84 | C86 | H121 | 48.6° | 65.0° |
| H119 | C84 | N22 | C81 | 41.1° | 35.1° |
| O24 | C85 | O25 | H131 | 0.0° | 0.1° |
| C87 | C86 | H120 | H121 | 118.3° | 119.9° |
| C86 | C87 | C88 | H122 | 119.8° | 120.0° |
| C86 | C87 | C88 | H123 | 119.8° | 120.0° |
| C86 | C87 | H122 | H123 | 120.5° | 120.0° |
| C86 | C87 | C88 | C89 | 164.7° | 180.0° |
| C86 | C87 | C88 | H124 | 75.0° | 60.0° |
| C86 | C87 | C88 | H125 | 44.4° | 60.0° |
| H120 | C86 | C87 | C88 | 56.4° | 60.0° |
| H120 | C86 | C87 | H122 | 176.2° | 180.0° |
| H120 | C86 | C87 | H123 | 63.5° | 60.0° |
| H121 | C86 | C87 | C88 | 62.5° | 60.0° |
| H121 | C86 | C87 | H122 | 57.3° | 60.0° |
| H121 | C86 | C87 | H123 | 177.6° | 180.0° |
| C88 | C87 | H122 | H123 | 120.6° | 120.0° |
| C87 | C88 | C89 | H124 | 120.3° | 120.0° |
| C87 | C88 | C89 | H125 | 120.2° | 120.0° |
| C87 | C88 | H124 | H125 | 119.2° | 120.0° |
| C87 | C88 | C89 | N23 | 172.5° | 180.0° |
| C87 | C88 | C89 | H126 | 52.3° | 60.0° |
| C87 | C88 | C89 | H127 | 67.2° | 60.0° |
| H122 | C87 | C88 | C89 | 44.9° | 60.0° |
| H122 | C87 | C88 | H124 | 165.2° | 180.0° |
| H122 | C87 | C88 | H125 | 75.4° | 60.0° |
| H123 | C87 | C88 | C89 | 75.5° | 60.0° |
| H123 | C87 | C88 | H124 | 44.8° | 60.0° |
| H123 | C87 | C88 | H125 | 164.3° | 179.9° |
| C89 | C88 | H124 | H125 | 119.3° | 119.9° |
| C88 | C89 | N23 | H126 | 120.3° | 120.0° |
| C88 | C89 | N23 | H127 | 120.3° | 120.1° |
| C88 | C89 | H126 | H127 | 119.2° | 120.0° |
| C88 | C89 | N23 | H128 | 180.0° | 60.0° |
| C88 | C89 | N23 | H129 | 60.0° | 60.0° |
| C88 | C89 | N23 | H130 | 60.0° | 180.0° |
| H124 | C88 | C89 | N23 | 67.2° | 60.0° |
| H124 | C88 | C89 | H126 | 172.5° | 180.0° |
| H124 | C88 | C89 | H127 | 53.1° | 60.0° |
| H125 | C88 | C89 | N23 | 52.3° | 60.0° |
| H125 | C88 | C89 | H126 | 68.0° | 60.0° |
| H125 | C88 | C89 | H127 | 172.6° | 180.0° |
| N23 | C89 | H126 | H127 | 119.2° | 120.0° |
| C89 | N23 | H128 | H129 | 120.0° | 120.0° |
| C89 | N23 | H128 | H130 | 120.0° | 120.0° |
| C89 | N23 | H129 | H130 | 120.0° | 120.1° |
| H126 | C89 | N23 | H128 | 59.7° | 180.0° |
| H126 | C89 | N23 | H129 | 179.7° | 60.0° |
| H126 | C89 | N23 | H130 | 60.3° | 60.1° |
| H127 | C89 | N23 | H128 | 59.8° | 60.0° |
| H127 | C89 | N23 | H129 | 60.3° | 180.0° |
| H127 | C89 | N23 | H130 | 179.7° | 59.9° |
| H128 | N23 | H129 | H130 | 120.0° | 119.9° |
