PRD_000161
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.32Å | |
| C1 | C2 | sing | 1.51Å | 1.18Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.48Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.27Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | C12 | sing | 1.46Å | 1.47Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | O3 | doub | 1.21Å | 1.25Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.46Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C18 | sing | 1.53Å | 1.57Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | O4 | doub | 1.21Å | 1.25Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | O5 | doub | 1.21Å | 1.23Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| N5 | C24 | sing | 1.47Å | 1.45Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.53Å | 1.57Å | |
| C24 | C28 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.24Å | |
| N6 | C29 | sing | 1.46Å | 1.45Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.23Å | |
| N7 | C31 | sing | 1.46Å | 1.47Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.26Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| N8 | C37 | sing | 1.47Å | 1.45Å | |
| N8 | H57 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.57Å | |
| C37 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | O9 | doub | 1.21Å | 1.24Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| N9 | C41 | sing | 1.47Å | 1.48Å | |
| N9 | H64 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.50Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C44 | sing | 1.53Å | 1.58Å | |
| C42 | O10 | doub | 1.21Å | 1.25Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| N10 | C45 | sing | 1.47Å | 1.46Å | |
| N10 | C49 | sing | 1.47Å | 1.49Å | |
| C45 | C46 | sing | 1.51Å | 1.51Å | |
| C45 | C47 | sing | 1.54Å | 1.53Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.27Å | |
| C47 | C48 | sing | 1.55Å | 1.50Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.55Å | 1.53Å | |
| C48 | O12 | sing | 1.43Å | 1.44Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C49 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| O12 | H77 | sing | 0.97Å | 0.95Å | |
| N11 | C50 | sing | 1.46Å | 1.46Å | |
| N11 | H78 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | O13 | doub | 1.21Å | 1.24Å | |
| C52 | C53 | sing | 1.53Å | 1.51Å | |
| C52 | H80 | sing | 1.09Å | 1.10Å | |
| C52 | H81 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.51Å | 1.49Å | |
| C53 | H82 | sing | 1.09Å | 1.10Å | |
| C53 | H83 | sing | 1.09Å | 1.10Å | |
| C54 | O14 | doub | 1.21Å | 1.30Å | |
| C54 | N12 | sing | 1.35Å | 1.28Å | |
| N12 | H84 | sing | 0.97Å | 1.00Å | |
| N12 | H85 | sing | 0.97Å | 1.00Å | |
| N13 | C55 | sing | 1.47Å | 1.47Å | |
| N13 | H86 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | C58 | sing | 1.53Å | 1.57Å | |
| C55 | C59 | sing | 1.51Å | 1.51Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C57 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C57 | H91 | sing | 1.09Å | 1.10Å | |
| C58 | H92 | sing | 1.09Å | 1.10Å | |
| C58 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | H94 | sing | 1.09Å | 1.10Å | |
| C59 | O15 | doub | 1.21Å | 1.25Å | |
| N14 | C60 | sing | 1.47Å | 1.47Å | |
| N14 | C64 | sing | 1.47Å | 1.50Å | |
| C60 | C61 | sing | 1.51Å | 1.51Å | |
| C60 | C62 | sing | 1.54Å | 1.52Å | |
| C60 | H95 | sing | 1.09Å | 1.10Å | |
| C61 | O16 | doub | 1.21Å | 1.26Å | |
| C62 | C63 | sing | 1.55Å | 1.53Å | |
| C62 | H96 | sing | 1.09Å | 1.10Å | |
| C62 | H97 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.55Å | 1.51Å | |
| C63 | O17 | sing | 1.43Å | 1.43Å | |
| C63 | H98 | sing | 1.09Å | 1.10Å | |
| C64 | H99 | sing | 1.09Å | 1.10Å | |
| C64 | H100 | sing | 1.09Å | 1.10Å | |
| O17 | H101 | sing | 0.97Å | 0.95Å | |
| N15 | C65 | sing | 1.47Å | 1.48Å | |
| N15 | H102 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.51Å | |
| C65 | C67 | sing | 1.53Å | 1.52Å | |
| C65 | C68 | sing | 1.53Å | 1.56Å | |
| C66 | O18 | doub | 1.21Å | 1.26Å | |
| C67 | H103 | sing | 1.09Å | 1.10Å | |
| C67 | H104 | sing | 1.09Å | 1.10Å | |
| C67 | H105 | sing | 1.09Å | 1.10Å | |
| C68 | H106 | sing | 1.09Å | 1.10Å | |
| C68 | H107 | sing | 1.09Å | 1.10Å | |
| C68 | H108 | sing | 1.09Å | 1.10Å | |
| N16 | C69 | sing | 1.47Å | 1.48Å | |
| N16 | C73 | sing | 1.47Å | 1.48Å | |
| C69 | C70 | sing | 1.51Å | 1.54Å | |
| C69 | C71 | sing | 1.54Å | 1.52Å | |
| C69 | H109 | sing | 1.09Å | 1.10Å | |
| C70 | O19 | doub | 1.21Å | 1.24Å | |
| C71 | C72 | sing | 1.55Å | 1.46Å | |
| C71 | H110 | sing | 1.09Å | 1.10Å | |
| C71 | H111 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.55Å | 1.46Å | |
| C72 | H112 | sing | 1.09Å | 1.10Å | |
| C72 | H113 | sing | 1.09Å | 1.10Å | |
| C73 | H114 | sing | 1.09Å | 1.10Å | |
| C73 | H115 | sing | 1.09Å | 1.10Å | |
| N17 | C74 | sing | 1.47Å | 1.48Å | |
| N17 | H116 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.53Å | 1.52Å | |
| C74 | C76 | sing | 1.53Å | 1.53Å | |
| C74 | H117 | sing | 1.09Å | 1.10Å | |
| C75 | O20 | sing | 1.43Å | 1.39Å | |
| C75 | H118 | sing | 1.09Å | 1.10Å | |
| C75 | H119 | sing | 1.09Å | 1.10Å | |
| O20 | H120 | sing | 0.97Å | 0.95Å | |
| C76 | C77 | sing | 1.51Å | 1.50Å | |
| C76 | H121 | sing | 1.09Å | 1.10Å | |
| C76 | H122 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | doub | 1.38Å | 1.39Å | Aromatic |
| C77 | C79 | sing | 1.38Å | 1.39Å | Aromatic |
| C78 | C80 | sing | 1.38Å | 1.37Å | Aromatic |
| C78 | H123 | sing | 1.08Å | 1.08Å | |
| C79 | C81 | doub | 1.38Å | 1.37Å | Aromatic |
| C79 | H124 | sing | 1.08Å | 1.08Å | |
| C80 | C82 | doub | 1.38Å | 1.40Å | Aromatic |
| C80 | H125 | sing | 1.08Å | 1.08Å | |
| C81 | C82 | sing | 1.38Å | 1.38Å | Aromatic |
| C81 | H126 | sing | 1.08Å | 1.08Å | |
| C82 | H127 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C17 | N4 | sing | 1.35Å | 1.31Å | |
| C21 | N5 | sing | 1.35Å | 1.34Å | |
| C28 | N6 | sing | 1.35Å | 1.33Å | |
| C32 | N8 | sing | 1.35Å | 1.32Å | |
| C38 | N9 | sing | 1.35Å | 1.34Å | |
| C42 | N10 | sing | 1.35Å | 1.32Å | |
| C46 | N11 | sing | 1.35Å | 1.31Å | |
| C51 | N13 | sing | 1.35Å | 1.34Å | |
| C59 | N14 | sing | 1.35Å | 1.31Å | |
| C61 | N15 | sing | 1.35Å | 1.32Å | |
| C66 | N16 | sing | 1.35Å | 1.31Å | |
| C70 | N17 | sing | 1.35Å | 1.31Å | |
| C30 | N7 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.4° | 120.0° |
| O1 | C1 | N1 | 114.8° | 120.1° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 124.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 120.0° | 120.0° |
| N1 | C3 | C4 | 111.8° | 109.5° |
| N1 | C3 | C5 | 107.6° | 109.5° |
| N1 | C3 | H5 | 109.2° | 109.4° |
| C3 | N1 | C1 | 120.0° | 120.0° |
| H4 | N1 | C1 | 120.0° | 120.0° |
| C4 | C3 | C5 | 111.1° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.4° |
| C3 | C4 | O2 | 118.3° | 120.0° |
| C3 | C4 | N2 | 120.3° | 120.0° |
| C5 | C3 | H5 | 108.4° | 109.5° |
| C3 | C5 | C6 | 113.1° | 109.5° |
| C3 | C5 | H6 | 108.5° | 109.5° |
| C3 | C5 | H7 | 108.6° | 109.4° |
| O2 | C4 | N2 | 121.5° | 120.0° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C6 | C5 | H7 | 108.5° | 109.4° |
| C5 | C6 | C7 | 119.2° | 120.0° |
| C5 | C6 | C8 | 120.2° | 120.1° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 120.6° | 120.0° |
| C6 | C7 | C9 | 120.5° | 120.0° |
| C6 | C7 | H8 | 119.8° | 120.0° |
| C6 | C8 | C10 | 118.6° | 120.0° |
| C6 | C8 | H9 | 120.7° | 120.0° |
| C9 | C7 | H8 | 119.8° | 120.0° |
| C7 | C9 | C11 | 118.3° | 120.0° |
| C7 | C9 | H10 | 120.8° | 120.0° |
| C10 | C8 | H9 | 120.7° | 120.0° |
| C8 | C10 | C11 | 120.3° | 120.0° |
| C8 | C10 | H11 | 119.9° | 120.0° |
| C11 | C9 | H10 | 120.8° | 120.0° |
| C9 | C11 | C10 | 121.6° | 120.0° |
| C9 | C11 | H12 | 119.2° | 120.0° |
| C11 | C10 | H11 | 119.8° | 120.0° |
| C10 | C11 | H12 | 119.2° | 120.0° |
| C12 | N2 | H13 | 119.0° | 120.0° |
| N2 | C12 | C13 | 110.3° | 109.5° |
| N2 | C12 | C14 | 110.0° | 109.5° |
| N2 | C12 | C15 | 109.1° | 109.5° |
| C12 | N2 | C4 | 121.9° | 120.0° |
| H13 | N2 | C4 | 119.0° | 120.0° |
| C13 | C12 | C14 | 106.3° | 109.5° |
| C13 | C12 | C15 | 112.2° | 109.5° |
| C12 | C13 | O3 | 121.4° | 120.0° |
| C12 | C13 | N3 | 115.5° | 120.0° |
| C14 | C12 | C15 | 109.0° | 109.5° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H15 | 109.5° | 109.5° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C15 | H17 | 109.5° | 109.5° |
| C12 | C15 | H18 | 109.5° | 109.5° |
| C12 | C15 | H19 | 109.5° | 109.5° |
| O3 | C13 | N3 | 123.0° | 120.0° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H16 | 109.4° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H19 | 109.4° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| C16 | N3 | H20 | 119.1° | 120.0° |
| N3 | C16 | C17 | 112.9° | 109.5° |
| N3 | C16 | C18 | 108.2° | 109.5° |
| N3 | C16 | C19 | 109.8° | 109.5° |
| C16 | N3 | C13 | 121.8° | 120.0° |
| H20 | N3 | C13 | 119.1° | 120.0° |
| C17 | C16 | C18 | 106.2° | 109.5° |
| C17 | C16 | C19 | 111.6° | 109.5° |
| C16 | C17 | O4 | 122.5° | 120.0° |
| C16 | C17 | N4 | 116.6° | 120.0° |
| C18 | C16 | C19 | 108.0° | 109.5° |
| C16 | C18 | H21 | 109.5° | 109.5° |
| C16 | C18 | H22 | 109.4° | 109.5° |
| C16 | C18 | H23 | 109.4° | 109.4° |
| C16 | C19 | H24 | 109.5° | 109.5° |
| C16 | C19 | H25 | 109.5° | 109.5° |
| C16 | C19 | H26 | 109.4° | 109.5° |
| O4 | C17 | N4 | 120.9° | 120.0° |
| H21 | C18 | H22 | 109.4° | 109.5° |
| H21 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| C20 | N4 | H27 | 119.0° | 120.0° |
| N4 | C20 | C21 | 110.1° | 109.5° |
| N4 | C20 | C22 | 109.0° | 109.4° |
| N4 | C20 | C23 | 110.0° | 109.5° |
| C20 | N4 | C17 | 122.0° | 120.0° |
| H27 | N4 | C17 | 119.0° | 120.0° |
| C21 | C20 | C22 | 109.9° | 109.5° |
| C21 | C20 | C23 | 108.7° | 109.5° |
| C20 | C21 | O5 | 122.0° | 120.0° |
| C20 | C21 | N5 | 113.8° | 120.0° |
| C22 | C20 | C23 | 109.1° | 109.5° |
| C20 | C22 | H28 | 109.5° | 109.5° |
| C20 | C22 | H29 | 109.5° | 109.5° |
| C20 | C22 | H30 | 109.5° | 109.5° |
| C20 | C23 | H31 | 109.5° | 109.5° |
| C20 | C23 | H32 | 109.5° | 109.5° |
| C20 | C23 | H33 | 109.5° | 109.5° |
| O5 | C21 | N5 | 124.1° | 120.0° |
| H28 | C22 | H29 | 109.4° | 109.5° |
| H28 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.4° | 109.5° |
| H31 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| C24 | N5 | H34 | 119.0° | 120.0° |
| N5 | C24 | C25 | 109.9° | 109.5° |
| N5 | C24 | C27 | 106.6° | 109.4° |
| N5 | C24 | C28 | 112.3° | 109.5° |
| C24 | N5 | C21 | 122.1° | 120.0° |
| H34 | N5 | C21 | 118.9° | 120.0° |
| C25 | C24 | C27 | 110.7° | 109.4° |
| C25 | C24 | C28 | 108.6° | 109.5° |
| C24 | C25 | C26 | 114.3° | 109.5° |
| C24 | C25 | H35 | 108.3° | 109.5° |
| C24 | C25 | H36 | 108.2° | 109.5° |
| C27 | C24 | C28 | 108.8° | 109.5° |
| C24 | C27 | H40 | 109.5° | 109.4° |
| C24 | C27 | H41 | 109.5° | 109.5° |
| C24 | C27 | H42 | 109.5° | 109.5° |
| C24 | C28 | O6 | 125.5° | 120.0° |
| C24 | C28 | N6 | 116.0° | 120.0° |
| C26 | C25 | H35 | 108.2° | 109.4° |
| C26 | C25 | H36 | 108.3° | 109.5° |
| C25 | C26 | H37 | 109.5° | 109.5° |
| C25 | C26 | H38 | 109.5° | 109.4° |
| C25 | C26 | H39 | 109.4° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H37 | C26 | H38 | 109.4° | 109.4° |
| H37 | C26 | H39 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| H40 | C27 | H41 | 109.5° | 109.5° |
| H40 | C27 | H42 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| O6 | C28 | N6 | 118.4° | 120.0° |
| C29 | N6 | H43 | 118.0° | 120.0° |
| N6 | C29 | C30 | 113.9° | 109.4° |
| N6 | C29 | H44 | 108.3° | 109.5° |
| N6 | C29 | H45 | 108.3° | 109.5° |
| C29 | N6 | C28 | 123.9° | 120.0° |
| H43 | N6 | C28 | 118.0° | 120.0° |
| C30 | C29 | H44 | 108.4° | 109.4° |
| C30 | C29 | H45 | 108.3° | 109.5° |
| C29 | C30 | O7 | 122.0° | 120.0° |
| C29 | C30 | N7 | 116.0° | 120.0° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| O7 | C30 | N7 | 121.9° | 120.0° |
| C31 | N7 | H46 | 119.8° | 120.0° |
| N7 | C31 | C32 | 111.0° | 109.5° |
| N7 | C31 | C33 | 109.7° | 109.5° |
| N7 | C31 | H47 | 108.0° | 109.5° |
| C31 | N7 | C30 | 120.5° | 120.0° |
| H46 | N7 | C30 | 119.7° | 120.0° |
| C32 | C31 | C33 | 112.9° | 109.5° |
| C32 | C31 | H47 | 107.6° | 109.5° |
| C31 | C32 | O8 | 118.2° | 120.0° |
| C31 | C32 | N8 | 120.2° | 120.0° |
| C33 | C31 | H47 | 107.4° | 109.4° |
| C31 | C33 | C34 | 116.1° | 109.4° |
| C31 | C33 | H48 | 107.8° | 109.5° |
| C31 | C33 | H49 | 107.8° | 109.5° |
| O8 | C32 | N8 | 121.6° | 120.0° |
| C34 | C33 | H48 | 107.8° | 109.5° |
| C34 | C33 | H49 | 107.8° | 109.5° |
| C33 | C34 | C35 | 111.2° | 109.5° |
| C33 | C34 | C36 | 111.1° | 109.5° |
| C33 | C34 | H50 | 108.8° | 109.5° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| C35 | C34 | C36 | 108.3° | 109.5° |
| C35 | C34 | H50 | 108.7° | 109.5° |
| C34 | C35 | H51 | 109.5° | 109.4° |
| C34 | C35 | H52 | 109.5° | 109.4° |
| C34 | C35 | H53 | 109.5° | 109.4° |
| C36 | C34 | H50 | 108.7° | 109.4° |
| C34 | C36 | H54 | 109.5° | 109.4° |
| C34 | C36 | H55 | 109.5° | 109.5° |
| C34 | C36 | H56 | 109.5° | 109.4° |
| H51 | C35 | H52 | 109.5° | 109.5° |
| H51 | C35 | H53 | 109.5° | 109.5° |
| H52 | C35 | H53 | 109.4° | 109.5° |
| H54 | C36 | H55 | 109.4° | 109.5° |
| H54 | C36 | H56 | 109.5° | 109.4° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| C37 | N8 | H57 | 117.7° | 120.0° |
| N8 | C37 | C38 | 112.5° | 109.4° |
| N8 | C37 | C39 | 108.2° | 109.5° |
| N8 | C37 | C40 | 112.9° | 109.4° |
| C37 | N8 | C32 | 124.5° | 120.0° |
| H57 | N8 | C32 | 117.8° | 120.0° |
| C38 | C37 | C39 | 104.4° | 109.5° |
| C38 | C37 | C40 | 110.8° | 109.5° |
| C37 | C38 | O9 | 120.7° | 119.9° |
| C37 | C38 | N9 | 114.5° | 120.1° |
| C39 | C37 | C40 | 107.6° | 109.5° |
| C37 | C39 | H58 | 109.5° | 109.5° |
| C37 | C39 | H59 | 109.5° | 109.5° |
| C37 | C39 | H60 | 109.5° | 109.5° |
| C37 | C40 | H61 | 109.5° | 109.5° |
| C37 | C40 | H62 | 109.4° | 109.5° |
| C37 | C40 | H63 | 109.5° | 109.5° |
| O9 | C38 | N9 | 124.4° | 120.0° |
| H58 | C39 | H59 | 109.5° | 109.4° |
| H58 | C39 | H60 | 109.5° | 109.4° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| H61 | C40 | H62 | 109.5° | 109.4° |
| H61 | C40 | H63 | 109.5° | 109.4° |
| H62 | C40 | H63 | 109.5° | 109.5° |
| C41 | N9 | H64 | 119.4° | 120.0° |
| N9 | C41 | C42 | 115.3° | 109.5° |
| N9 | C41 | C43 | 109.8° | 109.4° |
| N9 | C41 | C44 | 104.9° | 109.5° |
| C41 | N9 | C38 | 121.1° | 120.0° |
| H64 | N9 | C38 | 119.4° | 120.0° |
| C42 | C41 | C43 | 108.8° | 109.5° |
| C42 | C41 | C44 | 109.0° | 109.5° |
| C41 | C42 | O10 | 121.3° | 120.0° |
| C41 | C42 | N10 | 120.9° | 120.0° |
| C43 | C41 | C44 | 108.9° | 109.5° |
| C41 | C43 | H65 | 109.5° | 109.5° |
| C41 | C43 | H66 | 109.5° | 109.4° |
| C41 | C43 | H67 | 109.4° | 109.4° |
| C41 | C44 | H68 | 109.5° | 109.4° |
| C41 | C44 | H69 | 109.5° | 109.4° |
| C41 | C44 | H70 | 109.5° | 109.5° |
| O10 | C42 | N10 | 117.8° | 120.0° |
| H65 | C43 | H66 | 109.5° | 109.5° |
| H65 | C43 | H67 | 109.5° | 109.5° |
| H66 | C43 | H67 | 109.5° | 109.5° |
| H68 | C44 | H69 | 109.5° | 109.5° |
| H68 | C44 | H70 | 109.5° | 109.5° |
| H69 | C44 | H70 | 109.5° | 109.5° |
| C45 | N10 | C49 | 111.7° | 108.7° |
| N10 | C45 | C46 | 112.1° | 109.9° |
| N10 | C45 | C47 | 104.5° | 107.3° |
| N10 | C45 | H71 | 110.5° | 109.9° |
| C45 | N10 | C42 | 120.9° | 125.6° |
| N10 | C49 | C48 | 101.8° | 104.7° |
| N10 | C49 | H75 | 111.4° | 110.4° |
| N10 | C49 | H76 | 111.3° | 110.4° |
| C49 | N10 | C42 | 127.3° | 125.6° |
| C46 | C45 | C47 | 110.5° | 109.9° |
| C46 | C45 | H71 | 109.7° | 109.9° |
| C45 | C46 | O11 | 116.1° | 120.0° |
| C45 | C46 | N11 | 120.6° | 120.0° |
| C47 | C45 | H71 | 109.4° | 110.0° |
| C45 | C47 | C48 | 105.2° | 102.9° |
| C45 | C47 | H72 | 110.5° | 110.7° |
| C45 | C47 | H73 | 110.6° | 110.7° |
| O11 | C46 | N11 | 123.3° | 120.0° |
| C48 | C47 | H72 | 110.5° | 110.7° |
| C48 | C47 | H73 | 110.5° | 110.7° |
| C47 | C48 | C49 | 104.8° | 101.5° |
| C47 | C48 | O12 | 111.0° | 111.0° |
| C47 | C48 | H74 | 111.1° | 111.0° |
| H72 | C47 | H73 | 109.5° | 110.8° |
| C49 | C48 | O12 | 106.9° | 110.9° |
| C49 | C48 | H74 | 110.7° | 111.2° |
| C48 | C49 | H75 | 111.3° | 110.5° |
| C48 | C49 | H76 | 111.3° | 110.3° |
| O12 | C48 | H74 | 112.0° | 110.9° |
| C48 | O12 | H77 | 109.5° | 114.0° |
| H75 | C49 | H76 | 109.5° | 110.4° |
| C50 | N11 | H78 | 119.0° | 119.9° |
| N11 | C50 | C51 | 111.4° | 109.5° |
| N11 | C50 | C52 | 111.9° | 109.4° |
| N11 | C50 | H79 | 108.9° | 109.5° |
| C50 | N11 | C46 | 122.0° | 120.1° |
| H78 | N11 | C46 | 119.0° | 120.0° |
| C51 | C50 | C52 | 108.3° | 109.5° |
| C51 | C50 | H79 | 108.1° | 109.5° |
| C50 | C51 | O13 | 120.5° | 120.0° |
| C50 | C51 | N13 | 116.9° | 120.0° |
| C52 | C50 | H79 | 108.0° | 109.5° |
| C50 | C52 | C53 | 113.3° | 109.5° |
| C50 | C52 | H80 | 108.5° | 109.5° |
| C50 | C52 | H81 | 108.5° | 109.5° |
| O13 | C51 | N13 | 122.5° | 120.0° |
| C53 | C52 | H80 | 108.5° | 109.5° |
| C53 | C52 | H81 | 108.5° | 109.4° |
| C52 | C53 | C54 | 115.0° | 109.5° |
| C52 | C53 | H82 | 108.1° | 109.5° |
| C52 | C53 | H83 | 108.1° | 109.4° |
| H80 | C52 | H81 | 109.5° | 109.5° |
| C54 | C53 | H82 | 108.1° | 109.5° |
| C54 | C53 | H83 | 108.1° | 109.5° |
| C53 | C54 | O14 | 120.8° | 119.9° |
| C53 | C54 | N12 | 120.3° | 120.0° |
| H82 | C53 | H83 | 109.5° | 109.5° |
| O14 | C54 | N12 | 118.9° | 120.0° |
| C54 | N12 | H84 | 120.0° | 120.0° |
| C54 | N12 | H85 | 120.0° | 120.0° |
| H84 | N12 | H85 | 120.0° | 120.0° |
| C55 | N13 | H86 | 119.0° | 120.0° |
| N13 | C55 | C56 | 110.3° | 109.5° |
| N13 | C55 | C58 | 106.7° | 109.5° |
| N13 | C55 | C59 | 115.7° | 109.5° |
| C55 | N13 | C51 | 122.0° | 120.0° |
| H86 | N13 | C51 | 119.0° | 120.0° |
| C56 | C55 | C58 | 110.2° | 109.4° |
| C56 | C55 | C59 | 106.9° | 109.5° |
| C55 | C56 | C57 | 114.2° | 109.5° |
| C55 | C56 | H87 | 108.3° | 109.5° |
| C55 | C56 | H88 | 108.3° | 109.5° |
| C58 | C55 | C59 | 107.0° | 109.5° |
| C55 | C58 | H92 | 109.5° | 109.4° |
| C55 | C58 | H93 | 109.5° | 109.5° |
| C55 | C58 | H94 | 109.5° | 109.5° |
| C55 | C59 | O15 | 119.3° | 120.0° |
| C55 | C59 | N14 | 120.9° | 120.0° |
| C57 | C56 | H87 | 108.3° | 109.4° |
| C57 | C56 | H88 | 108.3° | 109.5° |
| C56 | C57 | H89 | 109.5° | 109.5° |
| C56 | C57 | H90 | 109.5° | 109.5° |
| C56 | C57 | H91 | 109.5° | 109.4° |
| H87 | C56 | H88 | 109.5° | 109.4° |
| H89 | C57 | H90 | 109.5° | 109.5° |
| H89 | C57 | H91 | 109.4° | 109.5° |
| H90 | C57 | H91 | 109.5° | 109.4° |
| H92 | C58 | H93 | 109.5° | 109.5° |
| H92 | C58 | H94 | 109.5° | 109.4° |
| H93 | C58 | H94 | 109.5° | 109.5° |
| O15 | C59 | N14 | 119.7° | 120.0° |
| C60 | N14 | C64 | 110.0° | 108.7° |
| N14 | C60 | C61 | 115.3° | 109.9° |
| N14 | C60 | C62 | 105.1° | 107.3° |
| N14 | C60 | H95 | 109.2° | 109.9° |
| C60 | N14 | C59 | 121.1° | 125.6° |
| N14 | C64 | C63 | 101.8° | 104.7° |
| N14 | C64 | H99 | 111.3° | 110.4° |
| N14 | C64 | H100 | 111.3° | 110.3° |
| C64 | N14 | C59 | 127.9° | 125.7° |
| C61 | C60 | C62 | 109.9° | 109.9° |
| C61 | C60 | H95 | 108.6° | 109.9° |
| C60 | C61 | O16 | 117.7° | 120.0° |
| C60 | C61 | N15 | 119.0° | 120.0° |
| C62 | C60 | H95 | 108.5° | 110.0° |
| C60 | C62 | C63 | 103.0° | 102.9° |
| C60 | C62 | H96 | 111.1° | 110.7° |
| C60 | C62 | H97 | 111.1° | 110.7° |
| O16 | C61 | N15 | 122.9° | 120.0° |
| C63 | C62 | H96 | 111.1° | 110.7° |
| C63 | C62 | H97 | 111.1° | 110.7° |
| C62 | C63 | C64 | 102.8° | 101.5° |
| C62 | C63 | O17 | 108.5° | 111.0° |
| C62 | C63 | H98 | 110.2° | 111.0° |
| H96 | C62 | H97 | 109.5° | 110.8° |
| C64 | C63 | O17 | 112.7° | 110.9° |
| C64 | C63 | H98 | 110.5° | 111.3° |
| C63 | C64 | H99 | 111.4° | 110.5° |
| C63 | C64 | H100 | 111.3° | 110.3° |
| O17 | C63 | H98 | 111.7° | 110.9° |
| C63 | O17 | H101 | 109.5° | 114.0° |
| H99 | C64 | H100 | 109.5° | 110.5° |
| C65 | N15 | H102 | 119.7° | 120.0° |
| N15 | C65 | C66 | 115.1° | 109.4° |
| N15 | C65 | C67 | 109.5° | 109.5° |
| N15 | C65 | C68 | 106.1° | 109.5° |
| C65 | N15 | C61 | 120.6° | 120.0° |
| H102 | N15 | C61 | 119.7° | 120.0° |
| C66 | C65 | C67 | 107.4° | 109.4° |
| C66 | C65 | C68 | 109.6° | 109.5° |
| C65 | C66 | O18 | 119.0° | 120.0° |
| C65 | C66 | N16 | 122.2° | 120.0° |
| C67 | C65 | C68 | 108.9° | 109.5° |
| C65 | C67 | H103 | 109.5° | 109.4° |
| C65 | C67 | H104 | 109.5° | 109.4° |
| C65 | C67 | H105 | 109.4° | 109.5° |
| C65 | C68 | H106 | 109.5° | 109.5° |
| C65 | C68 | H107 | 109.5° | 109.5° |
| C65 | C68 | H108 | 109.4° | 109.5° |
| O18 | C66 | N16 | 118.4° | 120.0° |
| H103 | C67 | H104 | 109.5° | 109.4° |
| H103 | C67 | H105 | 109.5° | 109.5° |
| H104 | C67 | H105 | 109.5° | 109.5° |
| H106 | C68 | H107 | 109.5° | 109.5° |
| H106 | C68 | H108 | 109.5° | 109.5° |
| H107 | C68 | H108 | 109.5° | 109.5° |
| C69 | N16 | C73 | 111.9° | 108.7° |
| N16 | C69 | C70 | 111.9° | 109.9° |
| N16 | C69 | C71 | 103.7° | 107.2° |
| N16 | C69 | H109 | 111.4° | 109.8° |
| C69 | N16 | C66 | 119.1° | 125.6° |
| N16 | C73 | C72 | 105.1° | 104.7° |
| N16 | C73 | H114 | 110.6° | 110.3° |
| N16 | C73 | H115 | 110.5° | 110.4° |
| C73 | N16 | C66 | 128.8° | 125.7° |
| C70 | C69 | C71 | 108.4° | 109.9° |
| C70 | C69 | H109 | 110.5° | 109.9° |
| C69 | C70 | O19 | 117.1° | 120.0° |
| C69 | C70 | N17 | 119.1° | 120.0° |
| C71 | C69 | H109 | 110.8° | 110.0° |
| C69 | C71 | C72 | 108.3° | 102.9° |
| C69 | C71 | H110 | 109.8° | 110.7° |
| C69 | C71 | H111 | 109.8° | 110.7° |
| O19 | C70 | N17 | 123.7° | 120.0° |
| C72 | C71 | H110 | 109.7° | 110.7° |
| C72 | C71 | H111 | 109.8° | 110.8° |
| C71 | C72 | C73 | 110.5° | 101.5° |
| C71 | C72 | H112 | 109.2° | 111.0° |
| C71 | C72 | H113 | 109.2° | 111.0° |
| H110 | C71 | H111 | 109.5° | 110.8° |
| C73 | C72 | H112 | 109.2° | 111.2° |
| C73 | C72 | H113 | 109.2° | 110.9° |
| C72 | C73 | H114 | 110.6° | 110.5° |
| C72 | C73 | H115 | 110.6° | 110.4° |
| H112 | C72 | H113 | 109.5° | 110.9° |
| H114 | C73 | H115 | 109.4° | 110.4° |
| C74 | N17 | H116 | 118.9° | 120.0° |
| N17 | C74 | C75 | 109.6° | 109.5° |
| N17 | C74 | C76 | 107.7° | 109.5° |
| N17 | C74 | H117 | 109.6° | 109.5° |
| C74 | N17 | C70 | 122.2° | 120.0° |
| H116 | N17 | C70 | 118.9° | 120.0° |
| C75 | C74 | C76 | 112.1° | 109.4° |
| C75 | C74 | H117 | 109.0° | 109.5° |
| C74 | C75 | O20 | 109.7° | 109.5° |
| C74 | C75 | H118 | 109.4° | 109.4° |
| C74 | C75 | H119 | 109.4° | 109.5° |
| C76 | C74 | H117 | 108.9° | 109.5° |
| C74 | C76 | C77 | 114.0° | 109.5° |
| C74 | C76 | H121 | 108.3° | 109.4° |
| C74 | C76 | H122 | 108.3° | 109.5° |
| O20 | C75 | H118 | 109.4° | 109.5° |
| O20 | C75 | H119 | 109.4° | 109.5° |
| C75 | O20 | H120 | 109.5° | 114.0° |
| H118 | C75 | H119 | 109.5° | 109.4° |
| C77 | C76 | H121 | 108.3° | 109.5° |
| C77 | C76 | H122 | 108.3° | 109.5° |
| C76 | C77 | C78 | 121.4° | 120.0° |
| C76 | C77 | C79 | 120.6° | 120.0° |
| H121 | C76 | H122 | 109.5° | 109.5° |
| C78 | C77 | C79 | 117.9° | 120.0° |
| C77 | C78 | C80 | 122.0° | 119.9° |
| C77 | C78 | H123 | 119.0° | 120.0° |
| C77 | C79 | C81 | 120.8° | 120.0° |
| C77 | C79 | H124 | 119.6° | 120.0° |
| C80 | C78 | H123 | 119.0° | 120.1° |
| C78 | C80 | C82 | 118.9° | 120.0° |
| C78 | C80 | H125 | 120.5° | 120.0° |
| C81 | C79 | H124 | 119.6° | 120.0° |
| C79 | C81 | C82 | 120.6° | 120.0° |
| C79 | C81 | H126 | 119.7° | 120.0° |
| C82 | C80 | H125 | 120.6° | 120.0° |
| C80 | C82 | C81 | 119.7° | 120.0° |
| C80 | C82 | H127 | 120.2° | 120.0° |
| C82 | C81 | H126 | 119.7° | 120.0° |
| C81 | C82 | H127 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 176.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 175.6° | 0.0° |
| O1 | C1 | N1 | H4 | 4.4° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 1.5° | 179.7° |
| C2 | C1 | N1 | H4 | 178.5° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 176.9° | 89.7° |
| H2 | C2 | C1 | N1 | 56.9° | 30.3° |
| H3 | C2 | C1 | N1 | 63.0° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 120.3° | 120.0° |
| N1 | C3 | C4 | H5 | 120.6° | 120.0° |
| N1 | C3 | C5 | H5 | 117.9° | 120.0° |
| N1 | C3 | C4 | O2 | 123.0° | 20.1° |
| N1 | C3 | C5 | C6 | 176.0° | 65.0° |
| N1 | C3 | C5 | H6 | 55.4° | 55.0° |
| N1 | C3 | C5 | H7 | 63.5° | 175.0° |
| N1 | C3 | C4 | N2 | 57.0° | 160.0° |
| H4 | N1 | C3 | C4 | 119.0° | 119.9° |
| H4 | N1 | C3 | C5 | 3.3° | 120.1° |
| H4 | N1 | C3 | H5 | 120.7° | 0.0° |
| C4 | C3 | C5 | H5 | 119.4° | 120.0° |
| C3 | C4 | O2 | N2 | 180.0° | 179.9° |
| C4 | C3 | C5 | C6 | 61.3° | 174.9° |
| C4 | C3 | C5 | H6 | 178.2° | 65.0° |
| C4 | C3 | C5 | H7 | 59.2° | 55.0° |
| C3 | C4 | N2 | C12 | 179.3° | 180.0° |
| C3 | C4 | N2 | H13 | 0.7° | 0.0° |
| C4 | C3 | N1 | C1 | 61.0° | 60.0° |
| C5 | C3 | C4 | O2 | 116.7° | 99.9° |
| C3 | C5 | C6 | H6 | 120.5° | 120.1° |
| C3 | C5 | C6 | H7 | 120.6° | 119.9° |
| C3 | C5 | H6 | H7 | 118.3° | 120.0° |
| C3 | C5 | C6 | C7 | 86.3° | 90.1° |
| C3 | C5 | C6 | C8 | 96.3° | 90.3° |
| C5 | C3 | N1 | C1 | 176.7° | 60.0° |
| C5 | C3 | C4 | N2 | 63.2° | 80.0° |
| H5 | C3 | C4 | O2 | 2.4° | 140.0° |
| H5 | C3 | C5 | C6 | 58.1° | 55.0° |
| H5 | C3 | C5 | H6 | 62.5° | 175.0° |
| H5 | C3 | C5 | H7 | 178.6° | 65.0° |
| H5 | C3 | N1 | C1 | 59.3° | 180.0° |
| H5 | C3 | C4 | N2 | 177.6° | 40.0° |
| O2 | C4 | N2 | C12 | 0.7° | 0.0° |
| O2 | C4 | N2 | H13 | 179.2° | 179.9° |
| C6 | C5 | H6 | H7 | 118.3° | 120.0° |
| C5 | C6 | C7 | C8 | 177.4° | 179.7° |
| C5 | C6 | C7 | C9 | 177.1° | 180.0° |
| C5 | C6 | C7 | H8 | 2.9° | 0.1° |
| C5 | C6 | C8 | C10 | 179.6° | 180.0° |
| C5 | C6 | C8 | H9 | 0.4° | 0.1° |
| H6 | C5 | C6 | C7 | 34.3° | 30.0° |
| H6 | C5 | C6 | C8 | 143.1° | 149.7° |
| H7 | C5 | C6 | C7 | 153.2° | 150.0° |
| H7 | C5 | C6 | C8 | 24.2° | 29.7° |
| C6 | C7 | C9 | H8 | 180.0° | 179.9° |
| C7 | C6 | C8 | C10 | 2.3° | 0.3° |
| C7 | C6 | C8 | H9 | 177.7° | 179.6° |
| C6 | C7 | C9 | C11 | 1.7° | 0.1° |
| C6 | C7 | C9 | H10 | 178.3° | 179.9° |
| C8 | C6 | C7 | C9 | 0.3° | 0.3° |
| C8 | C6 | C7 | H8 | 179.7° | 179.8° |
| C6 | C8 | C10 | H9 | 180.0° | 179.9° |
| C6 | C8 | C10 | C11 | 3.5° | 0.0° |
| C6 | C8 | C10 | H11 | 176.6° | 180.0° |
| C7 | C9 | C11 | H10 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 0.5° | 0.2° |
| C7 | C9 | C11 | H12 | 179.5° | 179.9° |
| H8 | C7 | C9 | C11 | 178.3° | 180.0° |
| H8 | C7 | C9 | H10 | 1.7° | 0.0° |
| C8 | C10 | C11 | C9 | 2.1° | 0.2° |
| C8 | C10 | C11 | H11 | 180.0° | 180.0° |
| C8 | C10 | C11 | H12 | 177.9° | 179.9° |
| H9 | C8 | C10 | C11 | 176.6° | 179.9° |
| H9 | C8 | C10 | H11 | 3.4° | 0.1° |
| C9 | C11 | C10 | H12 | 180.0° | 179.9° |
| C9 | C11 | C10 | H11 | 177.9° | 179.8° |
| H10 | C9 | C11 | C10 | 179.5° | 179.8° |
| H10 | C9 | C11 | H12 | 0.5° | 0.0° |
| H11 | C10 | C11 | H12 | 2.1° | 0.1° |
| C12 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 119.2° | 120.0° |
| N2 | C12 | C13 | C15 | 121.8° | 120.0° |
| N2 | C12 | C14 | C15 | 119.5° | 120.0° |
| N2 | C12 | C13 | O3 | 136.2° | 145.0° |
| N2 | C12 | C14 | H14 | 180.0° | 60.0° |
| N2 | C12 | C14 | H15 | 60.0° | 180.0° |
| N2 | C12 | C14 | H16 | 60.0° | 60.0° |
| N2 | C12 | C15 | H17 | 180.0° | 60.0° |
| N2 | C12 | C15 | H18 | 60.0° | 180.0° |
| N2 | C12 | C15 | H19 | 60.0° | 60.0° |
| N2 | C12 | C13 | N3 | 46.1° | 35.1° |
| H13 | N2 | C12 | C13 | 124.4° | 0.0° |
| H13 | N2 | C12 | C14 | 7.5° | 120.0° |
| H13 | N2 | C12 | C15 | 112.0° | 120.1° |
| C13 | C12 | C14 | C15 | 121.1° | 120.0° |
| C12 | C13 | O3 | N3 | 177.5° | 179.9° |
| C13 | C12 | C14 | H14 | 60.6° | 180.0° |
| C13 | C12 | C14 | H15 | 179.4° | 60.0° |
| C13 | C12 | C14 | H16 | 59.4° | 60.0° |
| C13 | C12 | C15 | H17 | 57.5° | 60.0° |
| C13 | C12 | C15 | H18 | 62.5° | 60.0° |
| C13 | C12 | C15 | H19 | 177.5° | 180.0° |
| C12 | C13 | N3 | C16 | 177.5° | 180.0° |
| C12 | C13 | N3 | H20 | 2.5° | 0.1° |
| C13 | C12 | N2 | C4 | 55.6° | 180.0° |
| C14 | C12 | C13 | O3 | 104.7° | 25.0° |
| C12 | C14 | H14 | H15 | 120.0° | 120.0° |
| C12 | C14 | H14 | H16 | 120.0° | 120.0° |
| C12 | C14 | H15 | H16 | 120.0° | 120.1° |
| C14 | C12 | C15 | H17 | 59.9° | 180.0° |
| C14 | C12 | C15 | H18 | 179.9° | 60.0° |
| C14 | C12 | C15 | H19 | 60.1° | 60.0° |
| C14 | C12 | N2 | C4 | 172.6° | 60.0° |
| C14 | C12 | C13 | N3 | 73.0° | 155.1° |
| C15 | C12 | C13 | O3 | 14.4° | 95.0° |
| C15 | C12 | C14 | H14 | 60.4° | 60.0° |
| C15 | C12 | C14 | H15 | 59.5° | 60.0° |
| C15 | C12 | C14 | H16 | 179.6° | 180.0° |
| C12 | C15 | H17 | H18 | 120.0° | 120.0° |
| C12 | C15 | H17 | H19 | 120.0° | 120.0° |
| C12 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C12 | N2 | C4 | 68.0° | 60.0° |
| C15 | C12 | C13 | N3 | 167.9° | 84.9° |
| O3 | C13 | N3 | C16 | 0.1° | 0.1° |
| O3 | C13 | N3 | H20 | 179.9° | 180.0° |
| H14 | C14 | H15 | H16 | 119.9° | 119.9° |
| H17 | C15 | H18 | H19 | 119.9° | 120.0° |
| C16 | N3 | H20 | C13 | 180.0° | 179.9° |
| N3 | C16 | C17 | C18 | 118.4° | 120.1° |
| N3 | C16 | C17 | C19 | 124.2° | 120.0° |
| N3 | C16 | C18 | C19 | 118.7° | 120.0° |
| N3 | C16 | C17 | O4 | 138.7° | 145.0° |
| N3 | C16 | C18 | H21 | 180.0° | 59.9° |
| N3 | C16 | C18 | H22 | 60.0° | 180.0° |
| N3 | C16 | C18 | H23 | 60.0° | 60.0° |
| N3 | C16 | C19 | H24 | 180.0° | 60.0° |
| N3 | C16 | C19 | H25 | 60.0° | 179.9° |
| N3 | C16 | C19 | H26 | 60.0° | 60.0° |
| N3 | C16 | C17 | N4 | 41.0° | 35.0° |
| H20 | N3 | C16 | C17 | 124.4° | 0.0° |
| H20 | N3 | C16 | C18 | 7.2° | 120.0° |
| H20 | N3 | C16 | C19 | 110.4° | 120.0° |
| C17 | C16 | C18 | C19 | 119.9° | 120.0° |
| C16 | C17 | O4 | N4 | 179.6° | 180.0° |
| C17 | C16 | C18 | H21 | 58.6° | 180.0° |
| C17 | C16 | C18 | H22 | 178.6° | 60.0° |
| C17 | C16 | C18 | H23 | 61.4° | 60.1° |
| C17 | C16 | C19 | H24 | 54.1° | 60.0° |
| C17 | C16 | C19 | H25 | 65.9° | 59.9° |
| C17 | C16 | C19 | H26 | 174.1° | 180.0° |
| C16 | C17 | N4 | C20 | 178.7° | 180.0° |
| C16 | C17 | N4 | H27 | 1.3° | 0.1° |
| C17 | C16 | N3 | C13 | 55.5° | 179.9° |
| C18 | C16 | C17 | O4 | 103.0° | 25.0° |
| C16 | C18 | H21 | H22 | 120.0° | 120.1° |
| C16 | C18 | H21 | H23 | 120.0° | 119.9° |
| C16 | C18 | H22 | H23 | 120.0° | 120.0° |
| C18 | C16 | C19 | H24 | 62.3° | 180.0° |
| C18 | C16 | C19 | H25 | 177.7° | 60.0° |
| C18 | C16 | C19 | H26 | 57.7° | 60.0° |
| C18 | C16 | N3 | C13 | 172.8° | 59.9° |
| C18 | C16 | C17 | N4 | 77.4° | 155.0° |
| C19 | C16 | C17 | O4 | 14.5° | 95.0° |
| C19 | C16 | C18 | H21 | 61.3° | 60.1° |
| C19 | C16 | C18 | H22 | 58.7° | 60.0° |
| C19 | C16 | C18 | H23 | 178.7° | 180.0° |
| C16 | C19 | H24 | H25 | 120.0° | 120.0° |
| C16 | C19 | H24 | H26 | 120.0° | 120.0° |
| C16 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C16 | N3 | C13 | 69.7° | 60.1° |
| C19 | C16 | C17 | N4 | 165.1° | 85.0° |
| O4 | C17 | N4 | C20 | 1.7° | 0.0° |
| O4 | C17 | N4 | H27 | 178.3° | 180.0° |
| H21 | C18 | H22 | H23 | 120.0° | 119.9° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| C20 | N4 | H27 | C17 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 120.1° | 120.0° |
| N4 | C20 | C21 | C23 | 120.6° | 120.0° |
| N4 | C20 | C22 | C23 | 120.1° | 120.0° |
| N4 | C20 | C21 | O5 | 126.0° | 145.0° |
| N4 | C20 | C22 | H28 | 180.0° | 60.0° |
| N4 | C20 | C22 | H29 | 60.0° | 180.0° |
| N4 | C20 | C22 | H30 | 60.0° | 60.0° |
| N4 | C20 | C23 | H31 | 180.0° | 60.0° |
| N4 | C20 | C23 | H32 | 60.0° | 180.0° |
| N4 | C20 | C23 | H33 | 60.0° | 60.0° |
| N4 | C20 | C21 | N5 | 51.2° | 35.0° |
| H27 | N4 | C20 | C21 | 127.0° | 0.0° |
| H27 | N4 | C20 | C22 | 6.4° | 120.0° |
| H27 | N4 | C20 | C23 | 113.2° | 120.0° |
| C21 | C20 | C22 | C23 | 119.1° | 120.0° |
| C20 | C21 | O5 | N5 | 176.9° | 180.0° |
| C21 | C20 | C22 | H28 | 59.2° | 180.0° |
| C21 | C20 | C22 | H29 | 179.2° | 60.0° |
| C21 | C20 | C22 | H30 | 60.8° | 59.9° |
| C21 | C20 | C23 | H31 | 59.3° | 60.0° |
| C21 | C20 | C23 | H32 | 60.7° | 60.0° |
| C21 | C20 | C23 | H33 | 179.3° | 180.0° |
| C20 | C21 | N5 | C24 | 179.7° | 180.0° |
| C20 | C21 | N5 | H34 | 0.3° | 0.1° |
| C21 | C20 | N4 | C17 | 52.9° | 180.0° |
| C22 | C20 | C21 | O5 | 113.9° | 25.0° |
| C20 | C22 | H28 | H29 | 120.0° | 120.0° |
| C20 | C22 | H28 | H30 | 120.0° | 120.0° |
| C20 | C22 | H29 | H30 | 120.0° | 119.9° |
| C22 | C20 | C23 | H31 | 60.5° | 180.0° |
| C22 | C20 | C23 | H32 | 179.5° | 60.0° |
| C22 | C20 | C23 | H33 | 59.5° | 60.0° |
| C22 | C20 | N4 | C17 | 173.6° | 60.0° |
| C22 | C20 | C21 | N5 | 68.9° | 155.0° |
| C23 | C20 | C21 | O5 | 5.4° | 95.0° |
| C23 | C20 | C22 | H28 | 59.9° | 60.0° |
| C23 | C20 | C22 | H29 | 60.1° | 60.1° |
| C23 | C20 | C22 | H30 | 179.9° | 180.0° |
| C20 | C23 | H31 | H32 | 120.0° | 120.0° |
| C20 | C23 | H31 | H33 | 120.0° | 120.0° |
| C20 | C23 | H32 | H33 | 120.0° | 120.0° |
| C23 | C20 | N4 | C17 | 66.9° | 60.0° |
| C23 | C20 | C21 | N5 | 171.8° | 85.0° |
| O5 | C21 | N5 | C24 | 2.6° | 0.0° |
| O5 | C21 | N5 | H34 | 177.5° | 180.0° |
| H28 | C22 | H29 | H30 | 120.0° | 120.0° |
| H31 | C23 | H32 | H33 | 119.9° | 120.0° |
| C24 | N5 | H34 | C21 | 180.0° | 179.9° |
| N5 | C24 | C25 | C27 | 117.5° | 119.9° |
| N5 | C24 | C25 | C28 | 123.1° | 120.1° |
| N5 | C24 | C27 | C28 | 121.3° | 120.0° |
| N5 | C24 | C25 | C26 | 160.6° | 55.0° |
| N5 | C24 | C25 | H35 | 78.7° | 64.9° |
| N5 | C24 | C25 | H36 | 39.9° | 175.0° |
| N5 | C24 | C27 | H40 | 180.0° | 60.0° |
| N5 | C24 | C27 | H41 | 60.0° | 180.0° |
| N5 | C24 | C27 | H42 | 60.0° | 60.0° |
| N5 | C24 | C28 | O6 | 133.1° | 145.0° |
| N5 | C24 | C28 | N6 | 50.1° | 35.0° |
| H34 | N5 | C24 | C25 | 118.6° | 120.0° |
| H34 | N5 | C24 | C27 | 1.4° | 120.1° |
| H34 | N5 | C24 | C28 | 120.5° | 0.1° |
| C25 | C24 | C27 | C28 | 119.2° | 120.0° |
| C24 | C25 | C26 | H35 | 120.7° | 120.0° |
| C24 | C25 | C26 | H36 | 120.7° | 120.0° |
| C24 | C25 | H35 | H36 | 117.8° | 120.0° |
| C24 | C25 | C26 | H37 | 180.0° | 59.9° |
| C24 | C25 | C26 | H38 | 60.0° | 60.0° |
| C24 | C25 | C26 | H39 | 60.0° | 180.0° |
| C25 | C24 | C27 | H40 | 60.5° | 180.0° |
| C25 | C24 | C27 | H41 | 59.5° | 60.0° |
| C25 | C24 | C27 | H42 | 179.5° | 60.0° |
| C25 | C24 | C28 | O6 | 11.4° | 24.9° |
| C25 | C24 | N5 | C21 | 61.4° | 60.0° |
| C25 | C24 | C28 | N6 | 171.7° | 155.0° |
| C27 | C24 | C25 | C26 | 43.1° | 175.0° |
| C27 | C24 | C25 | H35 | 163.8° | 55.0° |
| C27 | C24 | C25 | H36 | 77.6° | 65.0° |
| C24 | C27 | H40 | H41 | 120.0° | 120.0° |
| C24 | C27 | H40 | H42 | 120.0° | 120.0° |
| C24 | C27 | H41 | H42 | 120.0° | 120.0° |
| C27 | C24 | C28 | O6 | 109.1° | 95.0° |
| C27 | C24 | N5 | C21 | 178.6° | 60.0° |
| C27 | C24 | C28 | N6 | 67.7° | 85.0° |
| C28 | C24 | C25 | C26 | 76.2° | 65.0° |
| C28 | C24 | C25 | H35 | 44.5° | 175.0° |
| C28 | C24 | C25 | H36 | 163.1° | 55.0° |
| C28 | C24 | C27 | H40 | 58.7° | 60.0° |
| C28 | C24 | C27 | H41 | 178.7° | 60.0° |
| C28 | C24 | C27 | H42 | 61.3° | 180.0° |
| C24 | C28 | O6 | N6 | 176.8° | 180.0° |
| C24 | C28 | N6 | C29 | 173.3° | 180.0° |
| C24 | C28 | N6 | H43 | 6.8° | 0.0° |
| C28 | C24 | N5 | C21 | 59.5° | 180.0° |
| C26 | C25 | H35 | H36 | 117.8° | 120.0° |
| C25 | C26 | H37 | H38 | 120.0° | 119.9° |
| C25 | C26 | H37 | H39 | 120.0° | 120.1° |
| C25 | C26 | H38 | H39 | 120.0° | 120.0° |
| H35 | C25 | C26 | H37 | 59.3° | 179.9° |
| H35 | C25 | C26 | H38 | 179.3° | 60.0° |
| H35 | C25 | C26 | H39 | 60.7° | 60.0° |
| H36 | C25 | C26 | H37 | 59.3° | 60.1° |
| H36 | C25 | C26 | H38 | 60.7° | 180.0° |
| H36 | C25 | C26 | H39 | 179.3° | 60.0° |
| H37 | C26 | H38 | H39 | 120.0° | 120.1° |
| H40 | C27 | H41 | H42 | 120.0° | 120.0° |
| O6 | C28 | N6 | C29 | 3.8° | 0.0° |
| O6 | C28 | N6 | H43 | 176.2° | 179.9° |
| C29 | N6 | H43 | C28 | 180.0° | 180.0° |
| N6 | C29 | C30 | H44 | 120.7° | 120.0° |
| N6 | C29 | C30 | H45 | 120.6° | 120.0° |
| N6 | C29 | H44 | H45 | 118.0° | 120.0° |
| N6 | C29 | C30 | O7 | 141.1° | 0.0° |
| N6 | C29 | C30 | N7 | 39.5° | 180.0° |
| H43 | N6 | C29 | C30 | 114.7° | 0.0° |
| H43 | N6 | C29 | H44 | 124.7° | 119.9° |
| H43 | N6 | C29 | H45 | 6.0° | 120.0° |
| C30 | C29 | H44 | H45 | 118.0° | 120.0° |
| C29 | C30 | O7 | N7 | 179.4° | 179.9° |
| C29 | C30 | N7 | C31 | 177.2° | 175.0° |
| C29 | C30 | N7 | H46 | 2.8° | 5.1° |
| C30 | C29 | N6 | C28 | 65.3° | 180.0° |
| H44 | C29 | C30 | O7 | 20.4° | 120.1° |
| H44 | C29 | N6 | C28 | 55.4° | 60.0° |
| H44 | C29 | C30 | N7 | 160.2° | 60.0° |
| H45 | C29 | C30 | O7 | 98.3° | 120.0° |
| H45 | C29 | N6 | C28 | 174.1° | 60.0° |
| H45 | C29 | C30 | N7 | 81.1° | 60.0° |
| O7 | C30 | N7 | C31 | 2.2° | 5.0° |
| O7 | C30 | N7 | H46 | 177.8° | 175.0° |
| C31 | N7 | H46 | C30 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 123.7° | 120.0° |
| N7 | C31 | C32 | H47 | 118.0° | 120.0° |
| N7 | C31 | C33 | H47 | 117.2° | 120.0° |
| N7 | C31 | C32 | O8 | 140.3° | 20.2° |
| N7 | C31 | C33 | C34 | 60.0° | 175.9° |
| N7 | C31 | C33 | H48 | 61.0° | 55.9° |
| N7 | C31 | C33 | H49 | 179.1° | 64.1° |
| N7 | C31 | C32 | N8 | 38.8° | 159.8° |
| H46 | N7 | C31 | C32 | 103.3° | 29.0° |
| H46 | N7 | C31 | C33 | 22.2° | 91.0° |
| H46 | N7 | C31 | H47 | 139.0° | 149.1° |
| C32 | C31 | C33 | H47 | 118.4° | 120.0° |
| C31 | C32 | O8 | N8 | 179.1° | 180.0° |
| C32 | C31 | C33 | C34 | 175.6° | 64.0° |
| C32 | C31 | C33 | H48 | 63.4° | 176.0° |
| C32 | C31 | C33 | H49 | 54.7° | 55.9° |
| C31 | C32 | N8 | C37 | 174.9° | 174.2° |
| C31 | C32 | N8 | H57 | 5.1° | 5.9° |
| C32 | C31 | N7 | C30 | 76.7° | 151.0° |
| C33 | C31 | C32 | O8 | 96.1° | 99.8° |
| C31 | C33 | C34 | H48 | 121.0° | 120.0° |
| C31 | C33 | C34 | H49 | 121.0° | 120.0° |
| C31 | C33 | H48 | H49 | 117.0° | 120.0° |
| C31 | C33 | C34 | C35 | 175.9° | 64.1° |
| C31 | C33 | C34 | C36 | 63.4° | 175.9° |
| C31 | C33 | C34 | H50 | 56.2° | 55.9° |
| C33 | C31 | C32 | N8 | 84.8° | 80.2° |
| C33 | C31 | N7 | C30 | 157.8° | 89.0° |
| H47 | C31 | C32 | O8 | 22.3° | 140.2° |
| H47 | C31 | C33 | C34 | 57.2° | 56.0° |
| H47 | C31 | C33 | H48 | 178.2° | 64.0° |
| H47 | C31 | C33 | H49 | 63.7° | 175.9° |
| H47 | C31 | C32 | N8 | 156.8° | 39.8° |
| H47 | C31 | N7 | C30 | 41.0° | 31.0° |
| O8 | C32 | N8 | C37 | 4.2° | 5.8° |
| O8 | C32 | N8 | H57 | 175.8° | 174.1° |
| C34 | C33 | H48 | H49 | 117.0° | 120.0° |
| C33 | C34 | C35 | C36 | 122.4° | 120.0° |
| C33 | C34 | C35 | H50 | 119.7° | 120.0° |
| C33 | C34 | C36 | H50 | 119.6° | 120.0° |
| C33 | C34 | C35 | H51 | 180.0° | 64.5° |
| C33 | C34 | C35 | H52 | 60.0° | 175.5° |
| C33 | C34 | C35 | H53 | 60.0° | 55.5° |
| C33 | C34 | C36 | H54 | 180.0° | 59.9° |
| C33 | C34 | C36 | H55 | 60.0° | 180.0° |
| C33 | C34 | C36 | H56 | 60.0° | 60.0° |
| H48 | C33 | C34 | C35 | 54.9° | 55.9° |
| H48 | C33 | C34 | C36 | 175.6° | 64.1° |
| H48 | C33 | C34 | H50 | 64.8° | 175.9° |
| H49 | C33 | C34 | C35 | 63.1° | 175.9° |
| H49 | C33 | C34 | C36 | 57.6° | 55.9° |
| H49 | C33 | C34 | H50 | 177.1° | 64.0° |
| C35 | C34 | C36 | H50 | 117.9° | 120.0° |
| C34 | C35 | H51 | H52 | 120.0° | 120.0° |
| C34 | C35 | H51 | H53 | 120.0° | 120.0° |
| C34 | C35 | H52 | H53 | 120.0° | 120.0° |
| C35 | C34 | C36 | H54 | 57.6° | 180.0° |
| C35 | C34 | C36 | H55 | 62.4° | 60.0° |
| C35 | C34 | C36 | H56 | 177.6° | 60.0° |
| C36 | C34 | C35 | H51 | 57.6° | 55.5° |
| C36 | C34 | C35 | H52 | 177.7° | 64.5° |
| C36 | C34 | C35 | H53 | 62.4° | 175.5° |
| C34 | C36 | H54 | H55 | 120.0° | 120.0° |
| C34 | C36 | H54 | H56 | 120.0° | 119.9° |
| C34 | C36 | H55 | H56 | 120.0° | 120.0° |
| H50 | C34 | C35 | H51 | 60.3° | 175.5° |
| H50 | C34 | C35 | H52 | 59.8° | 55.5° |
| H50 | C34 | C35 | H53 | 179.7° | 64.5° |
| H50 | C34 | C36 | H54 | 60.4° | 60.0° |
| H50 | C34 | C36 | H55 | 179.7° | 60.0° |
| H50 | C34 | C36 | H56 | 59.7° | 179.9° |
| H51 | C35 | H52 | H53 | 120.0° | 120.1° |
| H54 | C36 | H55 | H56 | 120.0° | 120.0° |
| C37 | N8 | H57 | C32 | 180.0° | 179.9° |
| N8 | C37 | C38 | C39 | 117.0° | 120.1° |
| N8 | C37 | C38 | C40 | 127.4° | 119.9° |
| N8 | C37 | C39 | C40 | 122.3° | 119.9° |
| N8 | C37 | C38 | O9 | 151.5° | 145.0° |
| N8 | C37 | C39 | H58 | 180.0° | 60.0° |
| N8 | C37 | C39 | H59 | 60.0° | 180.0° |
| N8 | C37 | C39 | H60 | 60.0° | 60.0° |
| N8 | C37 | C40 | H61 | 180.0° | 60.0° |
| N8 | C37 | C40 | H62 | 60.0° | 179.9° |
| N8 | C37 | C40 | H63 | 60.0° | 60.0° |
| N8 | C37 | C38 | N9 | 35.3° | 34.9° |
| H57 | N8 | C37 | C38 | 113.7° | 0.1° |
| H57 | N8 | C37 | C39 | 1.1° | 120.0° |
| H57 | N8 | C37 | C40 | 120.0° | 120.0° |
| C38 | C37 | C39 | C40 | 117.8° | 120.1° |
| C37 | C38 | O9 | N9 | 172.5° | 180.0° |
| C38 | C37 | C39 | H58 | 60.1° | 180.0° |
| C38 | C37 | C39 | H59 | 180.0° | 60.0° |
| C38 | C37 | C39 | H60 | 59.9° | 60.0° |
| C38 | C37 | C40 | H61 | 52.8° | 59.9° |
| C38 | C37 | C40 | H62 | 67.2° | 60.0° |
| C38 | C37 | C40 | H63 | 172.8° | 179.9° |
| C37 | C38 | N9 | C41 | 161.6° | 180.0° |
| C37 | C38 | N9 | H64 | 18.4° | 0.0° |
| C38 | C37 | N8 | C32 | 66.3° | 180.0° |
| C39 | C37 | C38 | O9 | 91.4° | 25.0° |
| C37 | C39 | H58 | H59 | 120.0° | 120.0° |
| C37 | C39 | H58 | H60 | 120.0° | 120.0° |
| C37 | C39 | H59 | H60 | 120.0° | 120.0° |
| C39 | C37 | C40 | H61 | 60.7° | 180.0° |
| C39 | C37 | C40 | H62 | 179.3° | 60.1° |
| C39 | C37 | C40 | H63 | 59.3° | 60.0° |
| C39 | C37 | N8 | C32 | 178.9° | 59.9° |
| C39 | C37 | C38 | N9 | 81.7° | 155.0° |
| C40 | C37 | C38 | O9 | 24.1° | 95.1° |
| C40 | C37 | C39 | H58 | 57.7° | 60.0° |
| C40 | C37 | C39 | H59 | 62.3° | 60.0° |
| C40 | C37 | C39 | H60 | 177.7° | 180.0° |
| C37 | C40 | H61 | H62 | 120.0° | 120.0° |
| C37 | C40 | H61 | H63 | 120.0° | 120.1° |
| C37 | C40 | H62 | H63 | 120.0° | 120.1° |
| C40 | C37 | N8 | C32 | 60.0° | 60.0° |
| C40 | C37 | C38 | N9 | 162.7° | 85.0° |
| O9 | C38 | N9 | C41 | 11.3° | 0.0° |
| O9 | C38 | N9 | H64 | 168.7° | 180.0° |
| H58 | C39 | H59 | H60 | 120.0° | 119.9° |
| H61 | C40 | H62 | H63 | 120.0° | 119.9° |
| C41 | N9 | H64 | C38 | 180.0° | 180.0° |
| N9 | C41 | C42 | C43 | 123.8° | 120.0° |
| N9 | C41 | C42 | C44 | 117.6° | 120.0° |
| N9 | C41 | C43 | C44 | 114.4° | 120.0° |
| N9 | C41 | C42 | O10 | 135.0° | 108.2° |
| N9 | C41 | C43 | H65 | 180.0° | 60.0° |
| N9 | C41 | C43 | H66 | 60.0° | 180.0° |
| N9 | C41 | C43 | H67 | 60.0° | 60.0° |
| N9 | C41 | C44 | H68 | 180.0° | 60.0° |
| N9 | C41 | C44 | H69 | 60.0° | 180.0° |
| N9 | C41 | C44 | H70 | 60.0° | 60.0° |
| N9 | C41 | C42 | N10 | 48.4° | 71.8° |
| H64 | N9 | C41 | C42 | 133.2° | 4.9° |
| H64 | N9 | C41 | C43 | 10.0° | 115.1° |
| H64 | N9 | C41 | C44 | 106.9° | 124.9° |
| C42 | C41 | C43 | C44 | 118.7° | 120.1° |
| C41 | C42 | O10 | N10 | 176.8° | 180.0° |
| C42 | C41 | C43 | H65 | 53.0° | 180.0° |
| C42 | C41 | C43 | H66 | 173.1° | 60.0° |
| C42 | C41 | C43 | H67 | 67.0° | 59.9° |
| C42 | C41 | C44 | H68 | 56.0° | 60.0° |
| C42 | C41 | C44 | H69 | 64.0° | 60.0° |
| C42 | C41 | C44 | H70 | 176.0° | 180.0° |
| C41 | C42 | N10 | C45 | 175.2° | 176.0° |
| C41 | C42 | N10 | C49 | 1.7° | 3.7° |
| C42 | C41 | N9 | C38 | 46.8° | 175.1° |
| C43 | C41 | C42 | O10 | 101.3° | 11.7° |
| C41 | C43 | H65 | H66 | 120.0° | 119.9° |
| C41 | C43 | H65 | H67 | 120.0° | 120.0° |
| C41 | C43 | H66 | H67 | 120.0° | 119.9° |
| C43 | C41 | C44 | H68 | 62.5° | 180.0° |
| C43 | C41 | C44 | H69 | 177.5° | 60.0° |
| C43 | C41 | C44 | H70 | 57.5° | 60.0° |
| C43 | C41 | N9 | C38 | 170.0° | 64.9° |
| C43 | C41 | C42 | N10 | 75.4° | 168.2° |
| C44 | C41 | C42 | O10 | 17.3° | 131.8° |
| C44 | C41 | C43 | H65 | 65.7° | 60.0° |
| C44 | C41 | C43 | H66 | 54.4° | 60.0° |
| C44 | C41 | C43 | H67 | 174.4° | 180.0° |
| C41 | C44 | H68 | H69 | 120.0° | 119.9° |
| C41 | C44 | H68 | H70 | 120.0° | 120.0° |
| C41 | C44 | H69 | H70 | 120.0° | 120.0° |
| C44 | C41 | N9 | C38 | 73.1° | 55.1° |
| C44 | C41 | C42 | N10 | 166.0° | 48.2° |
| O10 | C42 | N10 | C45 | 1.6° | 3.9° |
| O10 | C42 | N10 | C49 | 178.5° | 176.3° |
| H65 | C43 | H66 | H67 | 120.0° | 120.1° |
| H68 | C44 | H69 | H70 | 120.0° | 120.0° |
| C45 | N10 | C49 | C42 | 177.2° | 179.8° |
| N10 | C45 | C46 | C47 | 116.1° | 117.8° |
| N10 | C45 | C46 | H71 | 123.2° | 121.0° |
| N10 | C45 | C47 | H71 | 118.4° | 119.5° |
| N10 | C45 | C46 | O11 | 166.2° | 0.0° |
| N10 | C45 | C47 | C48 | 18.8° | 22.2° |
| N10 | C45 | C47 | H72 | 100.5° | 140.5° |
| N10 | C45 | C47 | H73 | 138.1° | 96.1° |
| C45 | N10 | C49 | C48 | 22.5° | 24.4° |
| C45 | N10 | C49 | H75 | 141.2° | 94.5° |
| C45 | N10 | C49 | H76 | 96.2° | 143.2° |
| N10 | C45 | C46 | N11 | 15.7° | 180.0° |
| C49 | N10 | C45 | C46 | 116.9° | 120.7° |
| C49 | N10 | C45 | C47 | 2.8° | 1.2° |
| C49 | N10 | C45 | H71 | 120.4° | 118.3° |
| N10 | C49 | C48 | C47 | 33.5° | 37.3° |
| N10 | C49 | C48 | H75 | 118.7° | 118.8° |
| N10 | C49 | C48 | H76 | 118.7° | 118.8° |
| N10 | C49 | C48 | O12 | 84.4° | 155.2° |
| N10 | C49 | C48 | H74 | 153.4° | 80.9° |
| N10 | C49 | H75 | H76 | 123.6° | 122.3° |
| C46 | C45 | C47 | H71 | 120.9° | 121.1° |
| C45 | C46 | O11 | N11 | 178.1° | 180.0° |
| C46 | C45 | C47 | C48 | 139.5° | 97.2° |
| C46 | C45 | C47 | H72 | 20.2° | 21.1° |
| C46 | C45 | C47 | H73 | 101.2° | 144.4° |
| C45 | C46 | N11 | C50 | 177.5° | 180.0° |
| C45 | C46 | N11 | H78 | 2.5° | 0.0° |
| C46 | C45 | N10 | C42 | 65.7° | 59.5° |
| C47 | C45 | C46 | O11 | 77.7° | 117.9° |
| C45 | C47 | C48 | H72 | 119.3° | 118.3° |
| C45 | C47 | C48 | H73 | 119.4° | 118.4° |
| C45 | C47 | H72 | H73 | 122.0° | 123.3° |
| C45 | C47 | C48 | C49 | 32.9° | 35.7° |
| C45 | C47 | C48 | O12 | 82.2° | 153.6° |
| C45 | C47 | C48 | H74 | 152.5° | 82.6° |
| C47 | C45 | N10 | C42 | 174.6° | 179.0° |
| C47 | C45 | C46 | N11 | 100.4° | 62.2° |
| H71 | C45 | C46 | O11 | 43.1° | 121.0° |
| H71 | C45 | C47 | C48 | 99.6° | 141.7° |
| H71 | C45 | C47 | H72 | 141.1° | 100.0° |
| H71 | C45 | C47 | H73 | 19.8° | 23.3° |
| H71 | C45 | N10 | C42 | 57.0° | 61.5° |
| H71 | C45 | C46 | N11 | 138.8° | 59.0° |
| O11 | C46 | N11 | C50 | 0.5° | 0.0° |
| O11 | C46 | N11 | H78 | 179.6° | 180.0° |
| C48 | C47 | H72 | H73 | 122.0° | 123.3° |
| C47 | C48 | C49 | O12 | 117.9° | 117.9° |
| C47 | C48 | C49 | H74 | 119.9° | 118.2° |
| C47 | C48 | O12 | H74 | 124.9° | 123.9° |
| C47 | C48 | C49 | H75 | 152.2° | 81.5° |
| C47 | C48 | C49 | H76 | 85.2° | 156.1° |
| C47 | C48 | O12 | H77 | 180.0° | 180.0° |
| H72 | C47 | C48 | C49 | 86.4° | 154.0° |
| H72 | C47 | C48 | O12 | 158.5° | 88.1° |
| H72 | C47 | C48 | H74 | 33.2° | 35.7° |
| H73 | C47 | C48 | C49 | 152.2° | 82.7° |
| H73 | C47 | C48 | O12 | 37.1° | 35.2° |
| H73 | C47 | C48 | H74 | 88.2° | 159.0° |
| C49 | C48 | O12 | H74 | 121.4° | 124.1° |
| C48 | C49 | H75 | H76 | 123.6° | 122.3° |
| C49 | C48 | O12 | H77 | 66.2° | 68.0° |
| C48 | C49 | N10 | C42 | 154.7° | 155.8° |
| O12 | C48 | C49 | H75 | 34.3° | 36.4° |
| O12 | C48 | C49 | H76 | 156.8° | 86.0° |
| H74 | C48 | C49 | H75 | 87.9° | 160.3° |
| H74 | C48 | C49 | H76 | 34.6° | 37.9° |
| H74 | C48 | O12 | H77 | 55.1° | 56.1° |
| H75 | C49 | N10 | C42 | 35.9° | 85.3° |
| H76 | C49 | N10 | C42 | 86.6° | 37.1° |
| C50 | N11 | H78 | C46 | 180.0° | 180.0° |
| N11 | C50 | C51 | C52 | 123.6° | 120.0° |
| N11 | C50 | C51 | H79 | 119.7° | 120.0° |
| N11 | C50 | C52 | H79 | 119.9° | 120.0° |
| N11 | C50 | C51 | O13 | 163.4° | 0.0° |
| N11 | C50 | C52 | C53 | 50.2° | 65.0° |
| N11 | C50 | C52 | H80 | 70.4° | 55.0° |
| N11 | C50 | C52 | H81 | 170.8° | 175.1° |
| N11 | C50 | C51 | N13 | 14.2° | 180.0° |
| H78 | N11 | C50 | C51 | 89.8° | 25.0° |
| H78 | N11 | C50 | C52 | 31.7° | 95.0° |
| H78 | N11 | C50 | H79 | 151.1° | 145.0° |
| C51 | C50 | C52 | H79 | 116.9° | 120.0° |
| C50 | C51 | O13 | N13 | 177.5° | 180.0° |
| C51 | C50 | C52 | C53 | 173.5° | 175.0° |
| C51 | C50 | C52 | H80 | 52.9° | 65.0° |
| C51 | C50 | C52 | H81 | 65.9° | 55.0° |
| C50 | C51 | N13 | C55 | 174.6° | 180.0° |
| C50 | C51 | N13 | H86 | 5.4° | 0.0° |
| C51 | C50 | N11 | C46 | 90.3° | 155.0° |
| C52 | C50 | C51 | O13 | 73.1° | 120.0° |
| C50 | C52 | C53 | H80 | 120.6° | 120.0° |
| C50 | C52 | C53 | H81 | 120.6° | 119.9° |
| C50 | C52 | H80 | H81 | 118.2° | 120.0° |
| C50 | C52 | C53 | C54 | 45.2° | 180.0° |
| C50 | C52 | C53 | H82 | 75.6° | 60.0° |
| C50 | C52 | C53 | H83 | 166.0° | 60.0° |
| C52 | C50 | N11 | C46 | 148.2° | 85.0° |
| C52 | C50 | C51 | N13 | 109.3° | 60.0° |
| H79 | C50 | C51 | O13 | 43.7° | 120.0° |
| H79 | C50 | C52 | C53 | 69.7° | 54.9° |
| H79 | C50 | C52 | H80 | 169.8° | 175.0° |
| H79 | C50 | C52 | H81 | 50.9° | 65.0° |
| H79 | C50 | N11 | C46 | 28.9° | 34.9° |
| H79 | C50 | C51 | N13 | 133.9° | 60.0° |
| O13 | C51 | N13 | C55 | 7.8° | 0.0° |
| O13 | C51 | N13 | H86 | 172.2° | 180.0° |
| C53 | C52 | H80 | H81 | 118.3° | 120.0° |
| C52 | C53 | C54 | H82 | 120.8° | 120.0° |
| C52 | C53 | C54 | H83 | 120.8° | 120.0° |
| C52 | C53 | H82 | H83 | 117.5° | 120.0° |
| C52 | C53 | C54 | O14 | 141.5° | 0.1° |
| C52 | C53 | C54 | N12 | 39.7° | 180.0° |
| H80 | C52 | C53 | C54 | 165.8° | 60.0° |
| H80 | C52 | C53 | H82 | 45.0° | 180.0° |
| H80 | C52 | C53 | H83 | 73.4° | 60.0° |
| H81 | C52 | C53 | C54 | 75.3° | 60.0° |
| H81 | C52 | C53 | H82 | 163.8° | 60.0° |
| H81 | C52 | C53 | H83 | 45.5° | 180.0° |
| C54 | C53 | H82 | H83 | 117.5° | 120.0° |
| C53 | C54 | O14 | N12 | 178.9° | 179.9° |
| C53 | C54 | N12 | H84 | 178.9° | 0.1° |
| C53 | C54 | N12 | H85 | 1.1° | 180.0° |
| H82 | C53 | C54 | O14 | 20.6° | 120.0° |
| H82 | C53 | C54 | N12 | 160.5° | 60.0° |
| H83 | C53 | C54 | O14 | 97.8° | 120.0° |
| H83 | C53 | C54 | N12 | 81.1° | 60.0° |
| O14 | C54 | N12 | H84 | 0.0° | 180.0° |
| O14 | C54 | N12 | H85 | 180.0° | 0.1° |
| C54 | N12 | H84 | H85 | 180.0° | 179.9° |
| C55 | N13 | H86 | C51 | 180.0° | 180.0° |
| N13 | C55 | C56 | C58 | 117.5° | 120.0° |
| N13 | C55 | C56 | C59 | 126.6° | 120.0° |
| N13 | C55 | C58 | C59 | 124.4° | 120.1° |
| N13 | C55 | C56 | C57 | 58.3° | 55.0° |
| N13 | C55 | C56 | H87 | 179.0° | 65.0° |
| N13 | C55 | C56 | H88 | 62.4° | 175.0° |
| N13 | C55 | C58 | H92 | 180.0° | 60.0° |
| N13 | C55 | C58 | H93 | 60.0° | 180.0° |
| N13 | C55 | C58 | H94 | 60.0° | 59.9° |
| N13 | C55 | C59 | O15 | 147.0° | 131.1° |
| N13 | C55 | C59 | N14 | 35.7° | 48.9° |
| H86 | N13 | C55 | C56 | 111.9° | 117.2° |
| H86 | N13 | C55 | C58 | 7.7° | 122.9° |
| H86 | N13 | C55 | C59 | 126.6° | 2.8° |
| C56 | C55 | C58 | C59 | 115.9° | 120.0° |
| C55 | C56 | C57 | H87 | 120.7° | 120.0° |
| C55 | C56 | C57 | H88 | 120.7° | 120.1° |
| C55 | C56 | H87 | H88 | 117.8° | 120.0° |
| C55 | C56 | C57 | H89 | 180.0° | 60.0° |
| C55 | C56 | C57 | H90 | 60.0° | 180.0° |
| C55 | C56 | C57 | H91 | 60.0° | 60.0° |
| C56 | C55 | C58 | H92 | 60.3° | 180.0° |
| C56 | C55 | C58 | H93 | 59.7° | 60.0° |
| C56 | C55 | C58 | H94 | 179.7° | 60.0° |
| C56 | C55 | C59 | O15 | 23.7° | 11.1° |
| C56 | C55 | N13 | C51 | 68.1° | 62.8° |
| C56 | C55 | C59 | N14 | 158.9° | 168.9° |
| C58 | C55 | C56 | C57 | 59.2° | 175.0° |
| C58 | C55 | C56 | H87 | 61.6° | 55.0° |
| C58 | C55 | C56 | H88 | 179.9° | 65.0° |
| C55 | C58 | H92 | H93 | 120.0° | 120.0° |
| C55 | C58 | H92 | H94 | 120.0° | 120.0° |
| C55 | C58 | H93 | H94 | 120.0° | 120.0° |
| C58 | C55 | C59 | O15 | 94.3° | 108.9° |
| C58 | C55 | N13 | C51 | 172.3° | 57.1° |
| C58 | C55 | C59 | N14 | 83.1° | 71.2° |
| C59 | C55 | C56 | C57 | 175.1° | 65.1° |
| C59 | C55 | C56 | H87 | 54.4° | 175.0° |
| C59 | C55 | C56 | H88 | 64.2° | 55.0° |
| C59 | C55 | C58 | H92 | 55.6° | 60.1° |
| C59 | C55 | C58 | H93 | 175.6° | 60.0° |
| C59 | C55 | C58 | H94 | 64.4° | 180.0° |
| C55 | C59 | O15 | N14 | 177.4° | 179.9° |
| C55 | C59 | N14 | C60 | 178.6° | 175.8° |
| C55 | C59 | N14 | C64 | 10.9° | 3.8° |
| C59 | C55 | N13 | C51 | 53.4° | 177.2° |
| C57 | C56 | H87 | H88 | 117.8° | 120.0° |
| C56 | C57 | H89 | H90 | 120.0° | 120.1° |
| C56 | C57 | H89 | H91 | 120.0° | 119.9° |
| C56 | C57 | H90 | H91 | 120.0° | 119.9° |
| H87 | C56 | C57 | H89 | 59.2° | 60.1° |
| H87 | C56 | C57 | H90 | 179.3° | 60.0° |
| H87 | C56 | C57 | H91 | 60.7° | 179.9° |
| H88 | C56 | C57 | H89 | 59.3° | 180.0° |
| H88 | C56 | C57 | H90 | 60.7° | 59.9° |
| H88 | C56 | C57 | H91 | 179.3° | 60.0° |
| H89 | C57 | H90 | H91 | 119.9° | 120.1° |
| H92 | C58 | H93 | H94 | 120.0° | 120.0° |
| O15 | C59 | N14 | C60 | 1.2° | 4.2° |
| O15 | C59 | N14 | C64 | 166.5° | 176.2° |
| C60 | N14 | C64 | C59 | 168.8° | 179.7° |
| N14 | C60 | C61 | C62 | 118.6° | 117.8° |
| N14 | C60 | C61 | H95 | 122.8° | 121.0° |
| N14 | C60 | C62 | H95 | 116.7° | 119.5° |
| N14 | C60 | C61 | O16 | 168.4° | 0.0° |
| N14 | C60 | C62 | C63 | 24.7° | 22.2° |
| N14 | C60 | C62 | H96 | 94.3° | 140.5° |
| N14 | C60 | C62 | H97 | 143.6° | 96.2° |
| C60 | N14 | C64 | C63 | 24.7° | 24.5° |
| C60 | N14 | C64 | H99 | 143.4° | 94.5° |
| C60 | N14 | C64 | H100 | 94.1° | 143.2° |
| N14 | C60 | C61 | N15 | 19.5° | 180.0° |
| C64 | N14 | C60 | C61 | 121.4° | 120.7° |
| C64 | N14 | C60 | C62 | 0.2° | 1.3° |
| C64 | N14 | C60 | H95 | 116.1° | 118.3° |
| N14 | C64 | C63 | C62 | 39.2° | 37.3° |
| N14 | C64 | C63 | H99 | 118.8° | 118.9° |
| N14 | C64 | C63 | H100 | 118.7° | 118.7° |
| N14 | C64 | C63 | O17 | 77.4° | 155.3° |
| N14 | C64 | C63 | H98 | 156.8° | 80.8° |
| N14 | C64 | H99 | H100 | 123.5° | 122.3° |
| C61 | C60 | C62 | H95 | 118.7° | 121.1° |
| C60 | C61 | O16 | N15 | 171.8° | 180.0° |
| C61 | C60 | C62 | C63 | 149.3° | 97.2° |
| C61 | C60 | C62 | H96 | 30.3° | 21.1° |
| C61 | C60 | C62 | H97 | 91.8° | 144.4° |
| C60 | C61 | N15 | C65 | 170.4° | 180.0° |
| C60 | C61 | N15 | H102 | 9.6° | 0.1° |
| C61 | C60 | N14 | C59 | 69.0° | 59.6° |
| C62 | C60 | C61 | O16 | 73.1° | 117.8° |
| C60 | C62 | C63 | H96 | 118.9° | 118.3° |
| C60 | C62 | C63 | H97 | 119.0° | 118.4° |
| C60 | C62 | H96 | H97 | 123.0° | 123.2° |
| C60 | C62 | C63 | C64 | 40.0° | 35.7° |
| C60 | C62 | C63 | O17 | 79.6° | 153.6° |
| C60 | C62 | C63 | H98 | 157.8° | 82.6° |
| C62 | C60 | N14 | C59 | 169.8° | 179.0° |
| C62 | C60 | C61 | N15 | 99.1° | 62.2° |
| H95 | C60 | C61 | O16 | 45.6° | 121.0° |
| H95 | C60 | C62 | C63 | 92.0° | 141.7° |
| H95 | C60 | C62 | H96 | 149.0° | 100.0° |
| H95 | C60 | C62 | H97 | 26.9° | 23.3° |
| H95 | C60 | N14 | C59 | 53.6° | 61.4° |
| H95 | C60 | C61 | N15 | 142.3° | 58.9° |
| O16 | C61 | N15 | C65 | 1.3° | 0.1° |
| O16 | C61 | N15 | H102 | 178.7° | 180.0° |
| C63 | C62 | H96 | H97 | 123.0° | 123.3° |
| C62 | C63 | C64 | O17 | 116.6° | 118.0° |
| C62 | C63 | C64 | H98 | 117.6° | 118.1° |
| C62 | C63 | O17 | H98 | 121.7° | 123.8° |
| C62 | C63 | C64 | H99 | 158.0° | 81.5° |
| C62 | C63 | C64 | H100 | 79.5° | 156.0° |
| C62 | C63 | O17 | H101 | 180.0° | 179.9° |
| H96 | C62 | C63 | C64 | 79.0° | 154.0° |
| H96 | C62 | C63 | O17 | 161.5° | 88.1° |
| H96 | C62 | C63 | H98 | 38.9° | 35.7° |
| H97 | C62 | C63 | C64 | 159.0° | 82.7° |
| H97 | C62 | C63 | O17 | 39.4° | 35.3° |
| H97 | C62 | C63 | H98 | 83.2° | 159.0° |
| C64 | C63 | O17 | H98 | 125.2° | 124.2° |
| C63 | C64 | H99 | H100 | 123.6° | 122.4° |
| C64 | C63 | O17 | H101 | 66.8° | 67.9° |
| C63 | C64 | N14 | C59 | 144.1° | 155.8° |
| O17 | C63 | C64 | H99 | 41.4° | 36.4° |
| O17 | C63 | C64 | H100 | 163.9° | 86.0° |
| H98 | C63 | C64 | H99 | 84.4° | 160.4° |
| H98 | C63 | C64 | H100 | 38.1° | 37.9° |
| H98 | C63 | O17 | H101 | 58.3° | 56.2° |
| H99 | C64 | N14 | C59 | 25.4° | 85.2° |
| H100 | C64 | N14 | C59 | 97.1° | 37.2° |
| C65 | N15 | H102 | C61 | 180.0° | 179.9° |
| N15 | C65 | C66 | C67 | 122.2° | 120.0° |
| N15 | C65 | C66 | C68 | 119.5° | 120.0° |
| N15 | C65 | C67 | C68 | 115.6° | 120.0° |
| N15 | C65 | C66 | O18 | 140.3° | 133.5° |
| N15 | C65 | C67 | H103 | 180.0° | 60.1° |
| N15 | C65 | C67 | H104 | 60.0° | 180.0° |
| N15 | C65 | C67 | H105 | 60.0° | 60.0° |
| N15 | C65 | C68 | H106 | 180.0° | 59.9° |
| N15 | C65 | C68 | H107 | 60.0° | 179.9° |
| N15 | C65 | C68 | H108 | 60.0° | 60.0° |
| N15 | C65 | C66 | N16 | 47.1° | 46.6° |
| H102 | N15 | C65 | C66 | 133.9° | 4.3° |
| H102 | N15 | C65 | C67 | 12.8° | 115.6° |
| H102 | N15 | C65 | C68 | 104.6° | 124.3° |
| C66 | C65 | C67 | C68 | 118.7° | 120.0° |
| C65 | C66 | O18 | N16 | 172.9° | 179.9° |
| C66 | C65 | C67 | H103 | 54.3° | 180.0° |
| C66 | C65 | C67 | H104 | 174.3° | 60.1° |
| C66 | C65 | C67 | H105 | 65.7° | 60.0° |
| C66 | C65 | C68 | H106 | 55.1° | 60.0° |
| C66 | C65 | C68 | H107 | 64.9° | 60.0° |
| C66 | C65 | C68 | H108 | 175.1° | 180.0° |
| C65 | C66 | N16 | C69 | 175.2° | 174.8° |
| C65 | C66 | N16 | C73 | 0.2° | 5.4° |
| C66 | C65 | N15 | C61 | 46.1° | 175.7° |
| C67 | C65 | C66 | O18 | 97.5° | 13.5° |
| C65 | C67 | H103 | H104 | 120.0° | 119.9° |
| C65 | C67 | H103 | H105 | 120.0° | 120.0° |
| C65 | C67 | H104 | H105 | 120.0° | 120.0° |
| C67 | C65 | C68 | H106 | 62.2° | 180.0° |
| C67 | C65 | C68 | H107 | 177.8° | 60.0° |
| C67 | C65 | C68 | H108 | 57.8° | 60.0° |
| C67 | C65 | N15 | C61 | 167.2° | 64.3° |
| C67 | C65 | C66 | N16 | 75.1° | 166.5° |
| C68 | C65 | C66 | O18 | 20.8° | 106.5° |
| C68 | C65 | C67 | H103 | 64.4° | 60.0° |
| C68 | C65 | C67 | H104 | 55.6° | 59.9° |
| C68 | C65 | C67 | H105 | 175.6° | 180.0° |
| C65 | C68 | H106 | H107 | 120.0° | 120.0° |
| C65 | C68 | H106 | H108 | 120.0° | 120.0° |
| C65 | C68 | H107 | H108 | 120.0° | 120.0° |
| C68 | C65 | N15 | C61 | 75.4° | 55.7° |
| C68 | C65 | C66 | N16 | 166.6° | 73.4° |
| O18 | C66 | N16 | C69 | 2.6° | 5.3° |
| O18 | C66 | N16 | C73 | 172.4° | 174.5° |
| H103 | C67 | H104 | H105 | 120.0° | 120.0° |
| H106 | C68 | H107 | H108 | 120.0° | 120.0° |
| C69 | N16 | C73 | C66 | 175.3° | 179.8° |
| N16 | C69 | C70 | C71 | 113.8° | 117.8° |
| N16 | C69 | C70 | H109 | 124.7° | 121.0° |
| N16 | C69 | C71 | H109 | 119.6° | 119.4° |
| N16 | C69 | C70 | O19 | 166.5° | 0.0° |
| N16 | C69 | C71 | C72 | 5.1° | 22.3° |
| N16 | C69 | C71 | H110 | 124.9° | 140.6° |
| N16 | C69 | C71 | H111 | 114.8° | 96.2° |
| C69 | N16 | C73 | C72 | 7.1° | 24.4° |
| C69 | N16 | C73 | H114 | 126.4° | 94.5° |
| C69 | N16 | C73 | H115 | 112.3° | 143.2° |
| N16 | C69 | C70 | N17 | 17.6° | 180.0° |
| C73 | N16 | C69 | C70 | 109.1° | 120.7° |
| C73 | N16 | C69 | C71 | 7.5° | 1.2° |
| C73 | N16 | C69 | H109 | 126.7° | 118.3° |
| N16 | C73 | C72 | C71 | 3.5° | 37.3° |
| N16 | C73 | C72 | H114 | 119.3° | 118.8° |
| N16 | C73 | C72 | H115 | 119.3° | 118.8° |
| N16 | C73 | C72 | H112 | 123.7° | 80.8° |
| N16 | C73 | C72 | H113 | 116.6° | 155.3° |
| N16 | C73 | H114 | H115 | 122.0° | 122.3° |
| C70 | C69 | C71 | H109 | 121.4° | 121.1° |
| C69 | C70 | O19 | N17 | 175.8° | 180.0° |
| C70 | C69 | C71 | C72 | 114.0° | 97.2° |
| C70 | C69 | C71 | H110 | 5.8° | 21.1° |
| C70 | C69 | C71 | H111 | 126.2° | 144.4° |
| C69 | C70 | N17 | C74 | 174.0° | 180.0° |
| C69 | C70 | N17 | H116 | 6.0° | 0.0° |
| C70 | C69 | N16 | C66 | 75.1° | 59.5° |
| C71 | C69 | C70 | O19 | 79.8° | 117.8° |
| C69 | C71 | C72 | H110 | 119.8° | 118.3° |
| C69 | C71 | C72 | H111 | 119.8° | 118.4° |
| C69 | C71 | H110 | H111 | 120.6° | 123.2° |
| C69 | C71 | C72 | C73 | 1.0° | 35.7° |
| C69 | C71 | C72 | H112 | 119.2° | 82.5° |
| C69 | C71 | C72 | H113 | 121.1° | 153.6° |
| C71 | C69 | N16 | C66 | 168.3° | 179.0° |
| C71 | C69 | C70 | N17 | 96.2° | 62.2° |
| H109 | C69 | C70 | O19 | 41.8° | 121.0° |
| H109 | C69 | C71 | C72 | 124.7° | 141.7° |
| H109 | C69 | C71 | H110 | 115.6° | 100.0° |
| H109 | C69 | C71 | H111 | 4.8° | 23.2° |
| H109 | C69 | N16 | C66 | 49.1° | 61.5° |
| H109 | C69 | C70 | N17 | 142.3° | 59.0° |
| O19 | C70 | N17 | C74 | 1.6° | 0.0° |
| O19 | C70 | N17 | H116 | 178.3° | 180.0° |
| C72 | C71 | H110 | H111 | 120.5° | 123.3° |
| C71 | C72 | C73 | H112 | 120.2° | 118.2° |
| C71 | C72 | C73 | H113 | 120.1° | 117.9° |
| C71 | C72 | H112 | H113 | 119.5° | 123.9° |
| C71 | C72 | C73 | H114 | 122.9° | 81.5° |
| C71 | C72 | C73 | H115 | 115.8° | 156.1° |
| H110 | C71 | C72 | C73 | 120.8° | 154.0° |
| H110 | C71 | C72 | H112 | 0.6° | 35.8° |
| H110 | C71 | C72 | H113 | 119.0° | 88.1° |
| H111 | C71 | C72 | C73 | 118.8° | 82.7° |
| H111 | C71 | C72 | H112 | 121.0° | 159.1° |
| H111 | C71 | C72 | H113 | 1.3° | 35.2° |
| C73 | C72 | H112 | H113 | 119.5° | 123.9° |
| C72 | C73 | H114 | H115 | 122.0° | 122.4° |
| C72 | C73 | N16 | C66 | 168.2° | 155.8° |
| H112 | C72 | C73 | H114 | 116.9° | 160.4° |
| H112 | C72 | C73 | H115 | 4.4° | 38.0° |
| H113 | C72 | C73 | H114 | 2.7° | 36.5° |
| H113 | C72 | C73 | H115 | 124.1° | 85.9° |
| H114 | C73 | N16 | C66 | 48.9° | 85.3° |
| H115 | C73 | N16 | C66 | 72.4° | 37.0° |
| C74 | N17 | H116 | C70 | 180.0° | 180.0° |
| N17 | C74 | C75 | C76 | 119.4° | 120.0° |
| N17 | C74 | C75 | H117 | 119.9° | 120.1° |
| N17 | C74 | C76 | H117 | 118.7° | 120.0° |
| N17 | C74 | C75 | O20 | 168.5° | 65.0° |
| N17 | C74 | C75 | H118 | 71.5° | 55.1° |
| N17 | C74 | C75 | H119 | 48.5° | 175.0° |
| N17 | C74 | C76 | C77 | 63.4° | 65.0° |
| N17 | C74 | C76 | H121 | 57.3° | 55.0° |
| N17 | C74 | C76 | H122 | 176.0° | 175.0° |
| H116 | N17 | C74 | C75 | 86.0° | 95.0° |
| H116 | N17 | C74 | C76 | 36.1° | 25.0° |
| H116 | N17 | C74 | H117 | 154.4° | 145.0° |
| C75 | C74 | C76 | H117 | 120.7° | 120.0° |
| C74 | C75 | O20 | H118 | 120.0° | 120.0° |
| C74 | C75 | O20 | H119 | 120.1° | 120.1° |
| C74 | C75 | H118 | H119 | 119.9° | 120.0° |
| C74 | C75 | O20 | H120 | 180.0° | 180.0° |
| C75 | C74 | C76 | C77 | 176.1° | 175.0° |
| C75 | C74 | C76 | H121 | 63.3° | 65.0° |
| C75 | C74 | C76 | H122 | 55.4° | 55.0° |
| C75 | C74 | N17 | C70 | 94.0° | 85.1° |
| C76 | C74 | C75 | O20 | 72.0° | 55.0° |
| C76 | C74 | C75 | H118 | 48.0° | 175.0° |
| C76 | C74 | C75 | H119 | 167.9° | 65.0° |
| C74 | C76 | C77 | H121 | 120.7° | 120.0° |
| C74 | C76 | C77 | H122 | 120.7° | 120.0° |
| C74 | C76 | H121 | H122 | 117.9° | 120.0° |
| C74 | C76 | C77 | C78 | 73.9° | 90.0° |
| C74 | C76 | C77 | C79 | 103.6° | 90.3° |
| C76 | C74 | N17 | C70 | 143.9° | 155.0° |
| H117 | C74 | C75 | O20 | 48.6° | 175.0° |
| H117 | C74 | C75 | H118 | 168.6° | 65.0° |
| H117 | C74 | C75 | H119 | 71.5° | 55.0° |
| H117 | C74 | C76 | C77 | 55.4° | 55.0° |
| H117 | C74 | C76 | H121 | 176.0° | 175.0° |
| H117 | C74 | C76 | H122 | 65.3° | 65.0° |
| H117 | C74 | N17 | C70 | 25.6° | 35.0° |
| O20 | C75 | H118 | H119 | 119.9° | 120.0° |
| H118 | C75 | O20 | H120 | 60.0° | 60.0° |
| H119 | C75 | O20 | H120 | 59.9° | 60.0° |
| C77 | C76 | H121 | H122 | 117.9° | 120.0° |
| C76 | C77 | C78 | C79 | 177.6° | 179.7° |
| C76 | C77 | C78 | C80 | 177.9° | 180.0° |
| C76 | C77 | C78 | H123 | 2.1° | 0.1° |
| C76 | C77 | C79 | C81 | 179.9° | 180.0° |
| C76 | C77 | C79 | H124 | 0.2° | 0.1° |
| H121 | C76 | C77 | C78 | 165.5° | 30.0° |
| H121 | C76 | C77 | C79 | 17.0° | 149.7° |
| H122 | C76 | C77 | C78 | 46.8° | 150.0° |
| H122 | C76 | C77 | C79 | 135.7° | 29.7° |
| C77 | C78 | C80 | H123 | 180.0° | 179.9° |
| C78 | C77 | C79 | C81 | 2.3° | 0.3° |
| C78 | C77 | C79 | H124 | 177.8° | 179.7° |
| C77 | C78 | C80 | C82 | 2.4° | 0.0° |
| C77 | C78 | C80 | H125 | 177.6° | 179.9° |
| C79 | C77 | C78 | C80 | 0.3° | 0.3° |
| C79 | C77 | C78 | H123 | 179.7° | 179.7° |
| C77 | C79 | C81 | H124 | 180.0° | 179.9° |
| C77 | C79 | C81 | C82 | 1.5° | 0.1° |
| C77 | C79 | C81 | H126 | 178.5° | 180.0° |
| C78 | C80 | C82 | H125 | 180.0° | 180.0° |
| C78 | C80 | C82 | C81 | 3.2° | 0.2° |
| C78 | C80 | C82 | H127 | 176.8° | 180.0° |
| H123 | C78 | C80 | C82 | 177.6° | 180.0° |
| H123 | C78 | C80 | H125 | 2.4° | 0.0° |
| C79 | C81 | C82 | C80 | 1.3° | 0.2° |
| C79 | C81 | C82 | H126 | 180.0° | 180.0° |
| C79 | C81 | C82 | H127 | 178.7° | 180.0° |
| H124 | C79 | C81 | C82 | 178.5° | 180.0° |
| H124 | C79 | C81 | H126 | 1.5° | 0.1° |
| C80 | C82 | C81 | H127 | 180.0° | 179.8° |
| C80 | C82 | C81 | H126 | 178.7° | 179.7° |
| H125 | C80 | C82 | C81 | 176.8° | 179.8° |
| H125 | C80 | C82 | H127 | 3.2° | 0.0° |
| H126 | C81 | C82 | H127 | 1.3° | 0.0° |
