PRD_002527
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.19Å | |
| C1 | O2 | sing | 1.35Å | 1.35Å | |
| O2 | C2 | sing | 1.45Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.46Å | 1.49Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | O3 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C28 | SI1 | sing | 1.86Å | 1.88Å | |
| C22 | SI1 | sing | 1.86Å | 1.90Å | |
| C22 | C24 | sing | 1.53Å | 1.48Å | |
| SI1 | O6 | sing | 1.63Å | 1.66Å | |
| SI1 | C25 | sing | 1.86Å | 1.86Å | |
| O5 | C21 | sing | 1.37Å | 1.38Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C19 | sing | 1.39Å | 1.36Å | Aromatic |
| CL1 | C19 | sing | 1.74Å | 1.74Å | |
| C19 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C15 | sing | 1.43Å | 1.39Å | |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.50Å | 1.52Å | |
| C15 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | N2 | sing | 1.47Å | 1.44Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| O4 | C14 | doub | 1.21Å | 1.23Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | 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 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| N3 | C31 | sing | 1.46Å | 1.46Å | |
| O7 | C32 | doub | 1.21Å | 1.22Å | |
| C32 | C31 | sing | 1.50Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.47Å | 1.45Å | |
| C34 | N4 | trip | 1.14Å | 1.14Å | |
| N3 | H50 | sing | 0.98Å | 1.00Å | |
| C31 | H51 | sing | 1.10Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | O8 | sing | 1.43Å | 1.58Å | |
| O8 | C40 | sing | 1.36Å | 1.38Å | |
| C40 | C41 | doub | 1.38Å | 1.37Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C38 | doub | 1.39Å | 1.37Å | Aromatic |
| C42 | C37 | doub | 1.39Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C35 | sing | 1.50Å | 1.53Å | |
| C35 | N5 | sing | 1.47Å | 1.46Å | |
| C35 | C36 | sing | 1.50Å | 1.52Å | |
| C36 | S1 | doub | 1.60Å | 1.65Å | |
| N5 | H54 | sing | 0.98Å | 1.00Å | |
| C35 | H55 | sing | 1.10Å | 1.10Å | |
| C38 | H56 | sing | 1.08Å | 1.08Å | |
| C42 | H57 | sing | 1.08Å | 1.08Å | |
| C43 | H58 | sing | 1.09Å | 1.10Å | |
| C43 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | H60 | sing | 1.09Å | 1.10Å | |
| N6 | C44 | sing | 1.46Å | 1.46Å | |
| O9 | C45 | doub | 1.22Å | 1.22Å | |
| C45 | C44 | sing | 1.50Å | 1.54Å | |
| C44 | C46 | sing | 1.50Å | 1.52Å | |
| C46 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | C48 | sing | 1.39Å | 1.41Å | Aromatic |
| C51 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C48 | C49 | doub | 1.41Å | 1.39Å | Aromatic |
| C50 | C49 | sing | 1.39Å | 1.39Å | Aromatic |
| C49 | O10 | sing | 1.36Å | 1.36Å | |
| O10 | C52 | sing | 1.43Å | 1.44Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| C44 | H62 | sing | 1.11Å | 1.10Å | |
| C47 | H63 | sing | 1.08Å | 1.08Å | |
| C50 | H64 | sing | 1.08Å | 1.08Å | |
| C51 | H65 | sing | 1.08Å | 1.08Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| O12 | C67 | sing | 1.37Å | 1.39Å | |
| C67 | C66 | doub | 1.39Å | 1.40Å | Aromatic |
| C67 | C65 | sing | 1.39Å | 1.38Å | Aromatic |
| CL2 | C65 | sing | 1.74Å | 1.72Å | |
| C66 | C64 | sing | 1.38Å | 1.38Å | Aromatic |
| C65 | C63 | doub | 1.38Å | 1.38Å | Aromatic |
| C70 | C54 | sing | 1.53Å | 1.43Å | |
| C64 | C62 | doub | 1.38Å | 1.37Å | Aromatic |
| C55 | C54 | sing | 1.53Å | 1.66Å | |
| C63 | C62 | sing | 1.38Å | 1.41Å | Aromatic |
| C54 | SI2 | sing | 1.86Å | 1.90Å | |
| C62 | C61 | sing | 1.50Å | 1.51Å | |
| C61 | O13 | sing | 1.43Å | 1.40Å | |
| C61 | C59 | sing | 1.53Å | 1.56Å | |
| SI2 | O13 | sing | 1.63Å | 1.65Å | |
| SI2 | C69 | sing | 1.86Å | 1.86Å | |
| SI2 | C58 | sing | 1.86Å | 1.82Å | |
| C57 | C69 | sing | 1.53Å | 1.56Å | |
| C69 | C56 | sing | 1.53Å | 1.53Å | |
| C53 | C58 | sing | 1.53Å | 1.41Å | |
| N7 | C59 | sing | 1.46Å | 1.46Å | |
| C58 | C68 | sing | 1.53Å | 1.51Å | |
| C59 | C60 | sing | 1.49Å | 1.53Å | |
| C60 | O11 | doub | 1.23Å | 1.22Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | H73 | sing | 1.09Å | 1.10Å | |
| C55 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C56 | H76 | sing | 1.09Å | 1.10Å | |
| C56 | H77 | sing | 1.09Å | 1.10Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C58 | H82 | sing | 1.09Å | 1.10Å | |
| N7 | H83 | sing | 0.97Å | 1.00Å | |
| C59 | H84 | sing | 1.12Å | 1.10Å | |
| C61 | H85 | sing | 1.10Å | 1.10Å | |
| C63 | H86 | sing | 1.08Å | 1.08Å | |
| C64 | H87 | sing | 1.08Å | 1.08Å | |
| C66 | H88 | sing | 1.08Å | 1.08Å | |
| C68 | H89 | sing | 1.09Å | 1.10Å | |
| C68 | H90 | sing | 1.09Å | 1.10Å | |
| C68 | H91 | sing | 1.09Å | 1.10Å | |
| C69 | H92 | sing | 1.09Å | 1.10Å | |
| C70 | H93 | sing | 1.09Å | 1.10Å | |
| C70 | H94 | sing | 1.09Å | 1.10Å | |
| C70 | H95 | sing | 1.09Å | 1.10Å | |
| N8 | C71 | sing | 1.45Å | 1.47Å | |
| O16 | C72 | doub | 1.21Å | 1.19Å | |
| C71 | C73 | sing | 1.51Å | 1.51Å | |
| C71 | C72 | sing | 1.51Å | 1.51Å | |
| C74 | C73 | doub | 1.39Å | 1.40Å | Aromatic |
| C74 | C76 | sing | 1.41Å | 1.38Å | Aromatic |
| C73 | C75 | sing | 1.39Å | 1.39Å | Aromatic |
| O14 | C76 | sing | 1.36Å | 1.37Å | |
| O14 | C79 | sing | 1.43Å | 1.42Å | |
| C76 | C78 | doub | 1.38Å | 1.39Å | Aromatic |
| C75 | C77 | doub | 1.38Å | 1.37Å | Aromatic |
| C78 | C77 | sing | 1.38Å | 1.38Å | Aromatic |
| C77 | O15 | sing | 1.36Å | 1.37Å | |
| O15 | C80 | sing | 1.43Å | 1.41Å | |
| N8 | H96 | sing | 0.98Å | 1.00Å | |
| C71 | H97 | sing | 1.08Å | 1.10Å | |
| C75 | H98 | sing | 1.08Å | 1.08Å | |
| C78 | H99 | sing | 1.08Å | 1.08Å | |
| C79 | H100 | sing | 1.09Å | 1.10Å | |
| C79 | H101 | sing | 1.09Å | 1.10Å | |
| C79 | H102 | sing | 1.09Å | 1.10Å | |
| C80 | H103 | sing | 1.09Å | 1.10Å | |
| C80 | H104 | sing | 1.09Å | 1.10Å | |
| C80 | H105 | sing | 1.09Å | 1.10Å | |
| O17 | C81 | sing | 1.45Å | 1.48Å | |
| C81 | C82 | sing | 1.53Å | 1.49Å | |
| C81 | C83 | sing | 1.53Å | 1.51Å | |
| C81 | C84 | sing | 1.53Å | 1.53Å | |
| C82 | H106 | sing | 1.09Å | 1.10Å | |
| C82 | H107 | sing | 1.09Å | 1.10Å | |
| C82 | H108 | sing | 1.09Å | 1.10Å | |
| C83 | H109 | sing | 1.09Å | 1.10Å | |
| C83 | H110 | sing | 1.09Å | 1.10Å | |
| C83 | H111 | sing | 1.09Å | 1.10Å | |
| C84 | H112 | sing | 1.09Å | 1.10Å | |
| C84 | H113 | sing | 1.09Å | 1.10Å | |
| C84 | H114 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C8 | N2 | sing | 1.35Å | 1.34Å | |
| C14 | N3 | sing | 1.35Å | 1.35Å | |
| O5 | C41 | sing | 1.38Å | 1.39Å | |
| C32 | N5 | sing | 1.35Å | 1.37Å | |
| C36 | N6 | sing | 1.35Å | 1.33Å | |
| C39 | O12 | sing | 1.37Å | 1.39Å | |
| C45 | N7 | sing | 1.34Å | 1.34Å | |
| C48 | C74 | sing | 1.48Å | 1.50Å | |
| C60 | N8 | sing | 1.33Å | 1.34Å | |
| C72 | O17 | sing | 1.34Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.6° | 120.0° |
| O1 | C1 | N1 | 123.6° | 120.0° |
| C1 | O2 | C2 | 121.0° | 117.0° |
| O2 | C1 | N1 | 110.8° | 119.9° |
| O2 | C2 | C3 | 109.9° | 109.5° |
| O2 | C2 | C4 | 110.2° | 109.5° |
| O2 | C2 | C5 | 104.0° | 109.5° |
| C3 | C2 | C4 | 114.5° | 109.5° |
| C3 | C2 | C5 | 108.5° | 109.5° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.4° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C4 | C2 | C5 | 109.3° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.5° |
| C2 | C4 | H5 | 109.5° | 109.5° |
| C2 | C4 | H6 | 109.5° | 109.5° |
| C2 | C5 | H7 | 109.5° | 109.5° |
| C2 | C5 | H8 | 109.5° | 109.5° |
| C2 | C5 | H9 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.5° | 109.4° |
| H2 | C3 | H3 | 109.4° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.4° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| C6 | N1 | C7 | 118.7° | 120.0° |
| N1 | C6 | H10 | 109.5° | 109.5° |
| N1 | C6 | H11 | 109.5° | 109.5° |
| N1 | C6 | H12 | 109.5° | 109.4° |
| C6 | N1 | C1 | 122.3° | 120.1° |
| N1 | C7 | C8 | 109.9° | 109.4° |
| N1 | C7 | C9 | 113.1° | 109.5° |
| N1 | C7 | H13 | 107.8° | 109.4° |
| C7 | N1 | C1 | 118.6° | 120.0° |
| C8 | C7 | C9 | 111.1° | 109.5° |
| C7 | C8 | O3 | 122.6° | 120.0° |
| C8 | C7 | H13 | 107.3° | 109.5° |
| C7 | C8 | N2 | 115.8° | 119.9° |
| C7 | C9 | C10 | 116.2° | 109.5° |
| C9 | C7 | H13 | 107.5° | 109.5° |
| C7 | C9 | H14 | 107.7° | 109.5° |
| C7 | C9 | H15 | 107.8° | 109.5° |
| O3 | C8 | N2 | 121.6° | 120.1° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C9 | C10 | C12 | 108.5° | 109.5° |
| C10 | C9 | H14 | 107.8° | 109.4° |
| C10 | C9 | H15 | 107.7° | 109.5° |
| C9 | C10 | H16 | 109.0° | 109.5° |
| C11 | C10 | C12 | 109.1° | 109.5° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.4° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C12 | C10 | H16 | 108.5° | 109.4° |
| C10 | C12 | H20 | 109.5° | 109.5° |
| C10 | C12 | H21 | 109.4° | 109.5° |
| C10 | C12 | H22 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H20 | C12 | H22 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| C29 | C28 | C30 | 120.7° | 109.5° |
| C29 | C28 | SI1 | 110.0° | 109.4° |
| C29 | C28 | H43 | 104.5° | 109.4° |
| C28 | C29 | H44 | 109.5° | 109.5° |
| C28 | C29 | H45 | 109.5° | 109.4° |
| C28 | C29 | H46 | 109.4° | 109.5° |
| C30 | C28 | SI1 | 113.3° | 109.5° |
| C30 | C28 | H43 | 104.3° | 109.5° |
| C28 | C30 | H47 | 109.5° | 109.5° |
| C28 | C30 | H48 | 109.5° | 109.4° |
| C28 | C30 | H49 | 109.5° | 109.5° |
| C23 | C22 | SI1 | 112.8° | 109.5° |
| C23 | C22 | C24 | 109.3° | 109.4° |
| C23 | C22 | H29 | 107.3° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.5° |
| C22 | C23 | H32 | 109.4° | 109.5° |
| C28 | SI1 | C22 | 109.6° | 109.5° |
| C28 | SI1 | O6 | 108.6° | 109.4° |
| C28 | SI1 | C25 | 113.9° | 109.5° |
| SI1 | C28 | H43 | 101.6° | 109.5° |
| SI1 | C22 | C24 | 115.2° | 109.5° |
| C22 | SI1 | O6 | 102.7° | 109.5° |
| C22 | SI1 | C25 | 112.3° | 109.5° |
| SI1 | C22 | H29 | 103.8° | 109.5° |
| C24 | C22 | H29 | 107.9° | 109.5° |
| C22 | C24 | H33 | 109.5° | 109.5° |
| C22 | C24 | H34 | 109.5° | 109.5° |
| C22 | C24 | H35 | 109.5° | 109.5° |
| O6 | SI1 | C25 | 109.1° | 109.5° |
| SI1 | O6 | C15 | 125.5° | 114.0° |
| SI1 | C25 | C26 | 118.3° | 109.4° |
| SI1 | C25 | C27 | 114.8° | 109.5° |
| SI1 | C25 | H36 | 97.4° | 109.5° |
| O5 | C21 | C20 | 117.9° | 120.9° |
| O5 | C21 | C19 | 121.7° | 118.8° |
| C21 | O5 | C41 | 116.1° | 108.1° |
| C21 | C20 | C18 | 118.3° | 119.5° |
| C20 | C21 | C19 | 120.4° | 120.2° |
| C21 | C20 | H28 | 120.9° | 120.2° |
| C20 | C18 | C16 | 119.7° | 120.3° |
| C20 | C18 | H27 | 120.2° | 119.8° |
| C18 | C20 | H28 | 120.8° | 120.3° |
| C21 | C19 | CL1 | 118.6° | 120.8° |
| C21 | C19 | C17 | 121.5° | 119.9° |
| CL1 | C19 | C17 | 119.9° | 119.3° |
| C19 | C17 | C16 | 118.8° | 119.9° |
| C19 | C17 | H26 | 120.6° | 119.4° |
| C18 | C16 | C17 | 120.9° | 119.8° |
| C18 | C16 | C15 | 118.9° | 120.2° |
| C16 | C18 | H27 | 120.1° | 119.9° |
| O6 | C15 | C16 | 112.4° | 109.9° |
| O6 | C15 | C13 | 108.6° | 109.4° |
| O6 | C15 | H25 | 109.3° | 109.3° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C16 | C17 | H26 | 120.6° | 120.7° |
| C26 | C25 | C27 | 120.4° | 109.5° |
| C26 | C25 | H36 | 99.0° | 109.5° |
| C25 | C26 | H37 | 109.5° | 109.5° |
| C25 | C26 | H38 | 109.5° | 109.5° |
| C25 | C26 | H39 | 109.4° | 109.5° |
| C27 | C25 | H36 | 99.1° | 109.5° |
| C25 | C27 | H40 | 109.5° | 109.5° |
| C25 | C27 | H41 | 109.5° | 109.5° |
| C25 | C27 | H42 | 109.5° | 109.4° |
| C16 | C15 | C13 | 111.4° | 110.0° |
| C16 | C15 | H25 | 107.6° | 109.0° |
| C15 | C13 | N2 | 111.8° | 109.3° |
| C15 | C13 | C14 | 111.4° | 111.1° |
| C15 | C13 | H24 | 105.6° | 109.2° |
| C13 | C15 | H25 | 107.3° | 109.3° |
| N2 | C13 | C14 | 114.5° | 109.2° |
| C13 | N2 | H23 | 119.4° | 120.0° |
| N2 | C13 | H24 | 106.8° | 109.0° |
| C13 | N2 | C8 | 121.1° | 119.9° |
| C13 | C14 | O4 | 119.3° | 119.3° |
| C14 | C13 | H24 | 106.0° | 109.0° |
| C13 | C14 | N3 | 118.6° | 119.1° |
| O4 | C14 | N3 | 122.1° | 121.6° |
| H23 | N2 | C8 | 119.5° | 120.0° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H32 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H33 | C24 | H35 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.4° |
| H37 | C26 | H38 | 109.4° | 109.5° |
| H37 | C26 | H39 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 109.4° |
| H40 | C27 | H41 | 109.5° | 109.5° |
| H40 | C27 | H42 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| H44 | C29 | H46 | 109.4° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.4° |
| H47 | C30 | H48 | 109.5° | 109.5° |
| H47 | C30 | H49 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| N3 | C31 | C32 | 114.4° | 111.9° |
| N3 | C31 | C33 | 111.2° | 110.2° |
| C31 | N3 | H50 | 119.6° | 118.4° |
| N3 | C31 | H51 | 107.8° | 108.4° |
| C31 | N3 | C14 | 120.8° | 123.7° |
| O7 | C32 | C31 | 120.5° | 119.5° |
| O7 | C32 | N5 | 122.1° | 120.1° |
| C32 | C31 | C33 | 109.3° | 110.0° |
| C32 | C31 | H51 | 106.9° | 108.1° |
| C31 | C32 | N5 | 117.2° | 120.4° |
| C31 | C33 | C34 | 111.9° | 109.5° |
| C33 | C31 | H51 | 106.9° | 108.0° |
| C31 | C33 | H52 | 108.9° | 109.4° |
| C31 | C33 | H53 | 108.9° | 109.5° |
| C33 | C34 | N4 | 177.2° | 180.0° |
| C34 | C33 | H52 | 108.9° | 109.4° |
| C34 | C33 | H53 | 108.9° | 109.5° |
| H50 | N3 | C14 | 119.6° | 117.8° |
| H52 | C33 | H53 | 109.5° | 109.5° |
| C43 | O8 | C40 | 109.4° | 117.0° |
| O8 | C43 | H58 | 109.5° | 109.5° |
| O8 | C43 | H59 | 109.5° | 109.5° |
| O8 | C43 | H60 | 109.5° | 109.5° |
| O8 | C40 | C41 | 121.0° | 121.4° |
| O8 | C40 | C39 | 120.4° | 119.9° |
| C41 | C40 | C39 | 118.6° | 118.6° |
| C40 | C41 | C42 | 121.7° | 120.6° |
| C40 | C41 | O5 | 115.4° | 120.4° |
| C40 | C39 | C38 | 121.2° | 120.8° |
| C40 | C39 | O12 | 116.1° | 118.3° |
| C41 | C42 | C37 | 118.8° | 120.4° |
| C41 | C42 | H57 | 120.6° | 119.8° |
| C42 | C41 | O5 | 122.9° | 119.0° |
| C39 | C38 | C37 | 119.6° | 120.1° |
| C39 | C38 | H56 | 120.2° | 120.1° |
| C38 | C39 | O12 | 122.7° | 120.9° |
| C42 | C37 | C38 | 119.9° | 119.3° |
| C42 | C37 | C35 | 121.3° | 118.7° |
| C37 | C42 | H57 | 120.6° | 119.8° |
| C38 | C37 | C35 | 118.8° | 121.9° |
| C37 | C38 | H56 | 120.2° | 119.8° |
| C37 | C35 | N5 | 113.3° | 109.5° |
| C37 | C35 | C36 | 108.6° | 112.3° |
| C37 | C35 | H55 | 106.9° | 109.0° |
| N5 | C35 | C36 | 112.8° | 109.0° |
| C35 | N5 | H54 | 119.6° | 119.5° |
| N5 | C35 | H55 | 107.8° | 107.7° |
| C35 | N5 | C32 | 120.9° | 121.3° |
| C35 | C36 | S1 | 120.8° | 118.6° |
| C36 | C35 | H55 | 107.0° | 109.2° |
| C35 | C36 | N6 | 113.7° | 124.2° |
| S1 | C36 | N6 | 125.4° | 117.1° |
| H54 | N5 | C32 | 119.5° | 119.2° |
| H58 | C43 | H59 | 109.4° | 109.5° |
| H58 | C43 | H60 | 109.5° | 109.5° |
| H59 | C43 | H60 | 109.4° | 109.4° |
| N6 | C44 | C45 | 105.9° | 113.8° |
| N6 | C44 | C46 | 116.0° | 112.3° |
| C44 | N6 | H61 | 118.7° | 121.1° |
| N6 | C44 | H62 | 110.2° | 106.5° |
| C44 | N6 | C36 | 122.6° | 119.6° |
| O9 | C45 | C44 | 119.2° | 117.7° |
| O9 | C45 | N7 | 121.6° | 117.1° |
| C45 | C44 | C46 | 106.0° | 109.5° |
| C45 | C44 | H62 | 109.1° | 106.9° |
| C44 | C45 | N7 | 119.1° | 125.2° |
| C44 | C46 | C47 | 119.0° | 121.0° |
| C44 | C46 | C51 | 121.3° | 119.7° |
| C46 | C44 | H62 | 109.4° | 107.4° |
| C47 | C46 | C51 | 118.9° | 119.3° |
| C46 | C47 | C48 | 120.2° | 121.4° |
| C46 | C47 | H63 | 119.9° | 118.4° |
| C46 | C51 | C50 | 121.9° | 119.8° |
| C46 | C51 | H65 | 119.1° | 119.6° |
| C47 | C48 | C49 | 119.1° | 118.1° |
| C48 | C47 | H63 | 119.9° | 120.0° |
| C47 | C48 | C74 | 120.4° | 122.8° |
| C51 | C50 | C49 | 118.5° | 120.3° |
| C51 | C50 | H64 | 120.8° | 119.9° |
| C50 | C51 | H65 | 119.0° | 120.6° |
| C48 | C49 | C50 | 121.2° | 120.0° |
| C48 | C49 | O10 | 115.3° | 121.0° |
| C49 | C48 | C74 | 120.3° | 118.9° |
| C50 | C49 | O10 | 123.5° | 119.0° |
| C49 | C50 | H64 | 120.7° | 119.8° |
| C49 | O10 | C52 | 117.2° | 117.0° |
| O10 | C52 | H66 | 109.5° | 109.5° |
| O10 | C52 | H67 | 109.5° | 109.4° |
| O10 | C52 | H68 | 109.5° | 109.5° |
| H61 | N6 | C36 | 118.7° | 119.4° |
| H66 | C52 | H67 | 109.5° | 109.5° |
| H66 | C52 | H68 | 109.4° | 109.5° |
| H67 | C52 | H68 | 109.5° | 109.5° |
| O12 | C67 | C66 | 119.4° | 119.7° |
| O12 | C67 | C65 | 121.0° | 121.0° |
| C67 | O12 | C39 | 116.0° | 112.9° |
| C66 | C67 | C65 | 119.6° | 119.3° |
| C67 | C66 | C64 | 119.7° | 119.6° |
| C67 | C66 | H88 | 120.1° | 119.8° |
| C67 | C65 | CL2 | 122.5° | 121.4° |
| C67 | C65 | C63 | 120.5° | 119.9° |
| CL2 | C65 | C63 | 117.0° | 118.7° |
| C66 | C64 | C62 | 121.1° | 120.1° |
| C66 | C64 | H87 | 119.4° | 119.7° |
| C64 | C66 | H88 | 120.1° | 120.5° |
| C65 | C63 | C62 | 119.7° | 120.0° |
| C65 | C63 | H86 | 120.1° | 119.9° |
| C70 | C54 | C55 | 103.9° | 109.4° |
| C70 | C54 | SI2 | 117.7° | 109.4° |
| C70 | C54 | H72 | 110.6° | 109.4° |
| C54 | C70 | H93 | 109.5° | 109.5° |
| C54 | C70 | H94 | 109.5° | 109.5° |
| C54 | C70 | H95 | 109.5° | 109.5° |
| C64 | C62 | C63 | 119.2° | 118.9° |
| C64 | C62 | C61 | 122.0° | 120.9° |
| C62 | C64 | H87 | 119.4° | 120.2° |
| C55 | C54 | SI2 | 111.1° | 109.5° |
| C55 | C54 | H72 | 107.8° | 109.5° |
| C54 | C55 | H73 | 109.5° | 109.4° |
| C54 | C55 | H74 | 109.5° | 109.5° |
| C54 | C55 | H75 | 109.5° | 109.5° |
| C63 | C62 | C61 | 118.2° | 120.2° |
| C62 | C63 | H86 | 120.2° | 120.1° |
| C54 | SI2 | O13 | 111.2° | 109.5° |
| C54 | SI2 | C69 | 97.9° | 109.5° |
| C54 | SI2 | C58 | 118.1° | 109.4° |
| SI2 | C54 | H72 | 105.4° | 109.5° |
| C62 | C61 | O13 | 111.8° | 109.8° |
| C62 | C61 | C59 | 105.0° | 110.7° |
| C62 | C61 | H85 | 110.0° | 108.9° |
| O13 | C61 | C59 | 108.8° | 110.1° |
| C61 | O13 | SI2 | 130.0° | 114.0° |
| O13 | C61 | H85 | 111.6° | 108.6° |
| C61 | C59 | N7 | 109.8° | 112.1° |
| C61 | C59 | C60 | 116.3° | 111.0° |
| C61 | C59 | H84 | 106.6° | 106.3° |
| C59 | C61 | H85 | 109.3° | 108.7° |
| O13 | SI2 | C69 | 100.6° | 109.5° |
| O13 | SI2 | C58 | 110.8° | 109.4° |
| C69 | SI2 | C58 | 116.4° | 109.5° |
| SI2 | C69 | C57 | 112.7° | 109.5° |
| SI2 | C69 | C56 | 110.7° | 109.5° |
| SI2 | C69 | H92 | 104.0° | 109.5° |
| SI2 | C58 | C53 | 126.8° | 109.5° |
| SI2 | C58 | C68 | 116.3° | 109.5° |
| SI2 | C58 | H82 | 96.5° | 109.5° |
| C57 | C69 | C56 | 114.6° | 109.5° |
| C69 | C57 | H79 | 109.5° | 109.4° |
| C69 | C57 | H80 | 109.5° | 109.4° |
| C69 | C57 | H81 | 109.5° | 109.5° |
| C57 | C69 | H92 | 106.8° | 109.4° |
| C69 | C56 | H76 | 109.5° | 109.5° |
| C69 | C56 | H77 | 109.5° | 109.5° |
| C69 | C56 | H78 | 109.5° | 109.4° |
| C56 | C69 | H92 | 107.2° | 109.5° |
| C53 | C58 | C68 | 111.6° | 109.5° |
| C58 | C53 | H69 | 109.5° | 109.5° |
| C58 | C53 | H70 | 109.5° | 109.5° |
| C58 | C53 | H71 | 109.5° | 109.5° |
| C53 | C58 | H82 | 98.4° | 109.5° |
| N7 | C59 | C60 | 109.2° | 114.0° |
| C59 | N7 | H83 | 116.4° | 120.3° |
| N7 | C59 | H84 | 107.8° | 106.3° |
| C59 | N7 | C45 | 127.1° | 120.8° |
| C68 | C58 | H82 | 97.8° | 109.4° |
| C58 | C68 | H89 | 109.5° | 109.5° |
| C58 | C68 | H90 | 109.5° | 109.5° |
| C58 | C68 | H91 | 109.5° | 109.5° |
| C59 | C60 | O11 | 122.0° | 115.3° |
| C60 | C59 | H84 | 106.9° | 106.5° |
| C59 | C60 | N8 | 115.5° | 130.5° |
| O11 | C60 | N8 | 122.4° | 114.2° |
| H69 | C53 | H70 | 109.5° | 109.4° |
| H69 | C53 | H71 | 109.5° | 109.5° |
| H70 | C53 | H71 | 109.5° | 109.5° |
| H73 | C55 | H74 | 109.5° | 109.5° |
| H73 | C55 | H75 | 109.4° | 109.4° |
| H74 | C55 | H75 | 109.5° | 109.5° |
| H76 | C56 | H77 | 109.5° | 109.5° |
| H76 | C56 | H78 | 109.5° | 109.4° |
| H77 | C56 | H78 | 109.4° | 109.4° |
| H79 | C57 | H80 | 109.5° | 109.5° |
| H79 | C57 | H81 | 109.5° | 109.5° |
| H80 | C57 | H81 | 109.5° | 109.5° |
| H83 | N7 | C45 | 116.4° | 118.8° |
| H89 | C68 | H90 | 109.5° | 109.5° |
| H89 | C68 | H91 | 109.4° | 109.5° |
| H90 | C68 | H91 | 109.5° | 109.5° |
| H93 | C70 | H94 | 109.5° | 109.5° |
| H93 | C70 | H95 | 109.4° | 109.4° |
| H94 | C70 | H95 | 109.5° | 109.5° |
| N8 | C71 | C73 | 110.8° | 111.1° |
| N8 | C71 | C72 | 111.3° | 109.6° |
| C71 | N8 | H96 | 119.8° | 116.3° |
| N8 | C71 | H97 | 107.4° | 109.7° |
| C71 | N8 | C60 | 120.4° | 127.6° |
| O16 | C72 | C71 | 122.8° | 120.0° |
| O16 | C72 | O17 | 126.3° | 119.9° |
| C73 | C71 | C72 | 113.3° | 107.4° |
| C71 | C73 | C74 | 118.3° | 123.1° |
| C71 | C73 | C75 | 121.3° | 117.2° |
| C73 | C71 | H97 | 106.9° | 110.3° |
| C72 | C71 | H97 | 106.8° | 108.7° |
| C71 | C72 | O17 | 110.8° | 120.0° |
| C73 | C74 | C76 | 118.9° | 118.0° |
| C74 | C73 | C75 | 120.4° | 119.7° |
| C73 | C74 | C48 | 123.0° | 123.9° |
| C74 | C76 | O14 | 116.9° | 120.1° |
| C74 | C76 | C78 | 120.5° | 120.7° |
| C76 | C74 | C48 | 118.0° | 118.0° |
| C73 | C75 | C77 | 119.9° | 120.8° |
| C73 | C75 | H98 | 120.0° | 120.3° |
| C76 | O14 | C79 | 119.9° | 117.0° |
| O14 | C76 | C78 | 122.5° | 119.2° |
| O14 | C79 | H100 | 109.5° | 109.5° |
| O14 | C79 | H101 | 109.5° | 109.4° |
| O14 | C79 | H102 | 109.4° | 109.4° |
| C76 | C78 | C77 | 119.4° | 119.8° |
| C76 | C78 | H99 | 120.3° | 119.9° |
| C75 | C77 | C78 | 120.8° | 119.5° |
| C75 | C77 | O15 | 116.1° | 120.3° |
| C77 | C75 | H98 | 120.0° | 118.8° |
| C78 | C77 | O15 | 123.1° | 120.2° |
| C77 | C78 | H99 | 120.3° | 120.2° |
| C77 | O15 | C80 | 118.0° | 117.0° |
| O15 | C80 | H103 | 109.5° | 109.5° |
| O15 | C80 | H104 | 109.5° | 109.5° |
| O15 | C80 | H105 | 109.5° | 109.5° |
| H96 | N8 | C60 | 119.8° | 116.2° |
| H100 | C79 | H101 | 109.4° | 109.5° |
| H100 | C79 | H102 | 109.5° | 109.5° |
| H101 | C79 | H102 | 109.5° | 109.5° |
| H103 | C80 | H104 | 109.5° | 109.5° |
| H103 | C80 | H105 | 109.5° | 109.4° |
| H104 | C80 | H105 | 109.5° | 109.4° |
| O17 | C81 | C82 | 108.2° | 109.5° |
| O17 | C81 | C83 | 109.0° | 109.4° |
| O17 | C81 | C84 | 103.4° | 109.5° |
| C81 | O17 | C72 | 122.2° | 117.0° |
| C82 | C81 | C83 | 116.3° | 109.5° |
| C82 | C81 | C84 | 106.4° | 109.5° |
| C81 | C82 | H106 | 109.5° | 109.5° |
| C81 | C82 | H107 | 109.5° | 109.4° |
| C81 | C82 | H108 | 109.5° | 109.4° |
| C83 | C81 | C84 | 112.6° | 109.5° |
| C81 | C83 | H109 | 109.5° | 109.5° |
| C81 | C83 | H110 | 109.5° | 109.4° |
| C81 | C83 | H111 | 109.5° | 109.5° |
| C81 | C84 | H112 | 109.5° | 109.5° |
| C81 | C84 | H113 | 109.5° | 109.5° |
| C81 | C84 | H114 | 109.5° | 109.5° |
| H106 | C82 | H107 | 109.5° | 109.5° |
| H106 | C82 | H108 | 109.5° | 109.5° |
| H107 | C82 | H108 | 109.4° | 109.5° |
| H109 | C83 | H110 | 109.4° | 109.4° |
| H109 | C83 | H111 | 109.5° | 109.4° |
| H110 | C83 | H111 | 109.5° | 109.4° |
| H112 | C84 | H113 | 109.5° | 109.5° |
| H112 | C84 | H114 | 109.5° | 109.5° |
| H113 | C84 | H114 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 179.7° | 179.8° |
| O1 | C1 | O2 | C2 | 6.1° | 0.1° |
| O1 | C1 | N1 | C6 | 170.4° | 180.0° |
| O1 | C1 | N1 | C7 | 2.3° | 0.1° |
| C1 | O2 | C2 | C3 | 61.5° | 60.0° |
| C1 | O2 | C2 | C4 | 65.7° | 180.0° |
| C1 | O2 | C2 | C5 | 177.4° | 60.0° |
| O2 | C1 | N1 | C6 | 9.4° | 0.2° |
| O2 | C1 | N1 | C7 | 178.0° | 179.7° |
| O2 | C2 | C3 | C4 | 124.6° | 120.0° |
| O2 | C2 | C3 | C5 | 113.0° | 120.0° |
| O2 | C2 | C4 | C5 | 113.6° | 120.0° |
| O2 | C2 | C3 | H1 | 180.0° | 60.0° |
| O2 | C2 | C3 | H2 | 60.0° | 180.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.0° |
| O2 | C2 | C4 | H4 | 180.0° | 59.9° |
| O2 | C2 | C4 | H5 | 60.0° | 179.9° |
| O2 | C2 | C4 | H6 | 60.0° | 60.0° |
| O2 | C2 | C5 | H7 | 180.0° | 60.0° |
| O2 | C2 | C5 | H8 | 60.0° | 179.9° |
| O2 | C2 | C5 | H9 | 60.0° | 59.9° |
| C2 | O2 | C1 | N1 | 174.2° | 179.7° |
| C3 | C2 | C4 | C5 | 121.9° | 120.0° |
| C2 | C3 | H1 | H2 | 120.0° | 120.1° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 55.5° | 180.0° |
| C3 | C2 | C4 | H5 | 175.5° | 60.0° |
| C3 | C2 | C4 | H6 | 64.5° | 60.0° |
| C3 | C2 | C5 | H7 | 63.1° | 60.0° |
| C3 | C2 | C5 | H8 | 56.9° | 60.0° |
| C3 | C2 | C5 | H9 | 176.9° | 180.0° |
| C4 | C2 | C3 | H1 | 55.4° | 60.0° |
| C4 | C2 | C3 | H2 | 64.7° | 60.0° |
| C4 | C2 | C3 | H3 | 175.4° | 180.0° |
| C2 | C4 | H4 | H5 | 120.0° | 120.0° |
| C2 | C4 | H4 | H6 | 120.0° | 120.0° |
| C2 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C2 | C5 | H7 | 62.4° | 179.9° |
| C4 | C2 | C5 | H8 | 177.6° | 60.0° |
| C4 | C2 | C5 | H9 | 57.6° | 60.0° |
| C5 | C2 | C3 | H1 | 66.9° | 180.0° |
| C5 | C2 | C3 | H2 | 173.0° | 60.0° |
| C5 | C2 | C3 | H3 | 53.1° | 60.0° |
| C5 | C2 | C4 | H4 | 66.4° | 60.0° |
| C5 | C2 | C4 | H5 | 53.6° | 60.0° |
| C5 | C2 | C4 | H6 | 173.6° | 180.0° |
| C2 | C5 | H7 | H8 | 120.0° | 120.1° |
| C2 | C5 | H7 | H9 | 120.0° | 120.0° |
| C2 | C5 | H8 | H9 | 120.0° | 120.0° |
| H1 | C3 | H2 | H3 | 120.0° | 119.9° |
| H4 | C4 | H5 | H6 | 120.0° | 120.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
| C6 | N1 | C7 | C1 | 172.9° | 179.9° |
| C6 | N1 | C7 | C8 | 77.5° | 65.8° |
| C6 | N1 | C7 | C9 | 47.3° | 54.2° |
| N1 | C6 | H10 | H11 | 120.0° | 120.1° |
| N1 | C6 | H10 | H12 | 120.0° | 120.0° |
| N1 | C6 | H11 | H12 | 120.0° | 120.0° |
| C6 | N1 | C7 | H13 | 165.9° | 174.2° |
| N1 | C7 | C8 | C9 | 125.9° | 120.0° |
| N1 | C7 | C8 | H13 | 116.9° | 119.9° |
| N1 | C7 | C9 | H13 | 118.8° | 120.0° |
| N1 | C7 | C8 | O3 | 100.7° | 0.0° |
| N1 | C7 | C9 | C10 | 57.8° | 65.3° |
| C7 | N1 | C6 | H10 | 180.0° | 90.0° |
| C7 | N1 | C6 | H11 | 60.0° | 30.1° |
| C7 | N1 | C6 | H12 | 60.0° | 150.0° |
| N1 | C7 | C9 | H14 | 178.8° | 174.7° |
| N1 | C7 | C9 | H15 | 63.2° | 54.7° |
| N1 | C7 | C8 | N2 | 79.4° | 180.0° |
| C8 | C7 | C9 | H13 | 117.1° | 120.0° |
| C7 | C8 | O3 | N2 | 180.0° | 180.0° |
| C8 | C7 | C9 | C10 | 178.1° | 174.7° |
| C8 | C7 | C9 | H14 | 57.1° | 54.8° |
| C8 | C7 | C9 | H15 | 60.9° | 65.2° |
| C7 | C8 | N2 | C13 | 174.9° | 180.0° |
| C7 | C8 | N2 | H23 | 5.1° | 0.0° |
| C8 | C7 | N1 | C1 | 95.4° | 114.2° |
| C9 | C7 | C8 | O3 | 25.2° | 120.0° |
| C7 | C9 | C10 | H14 | 121.0° | 120.0° |
| C7 | C9 | C10 | H15 | 121.0° | 120.1° |
| C7 | C9 | C10 | C11 | 58.1° | 65.8° |
| C7 | C9 | C10 | C12 | 179.0° | 174.1° |
| C7 | C9 | H14 | H15 | 117.0° | 120.1° |
| C7 | C9 | C10 | H16 | 63.0° | 54.2° |
| C9 | C7 | N1 | C1 | 139.8° | 125.8° |
| C9 | C7 | C8 | N2 | 154.7° | 60.0° |
| O3 | C8 | C7 | H13 | 142.4° | 120.0° |
| O3 | C8 | N2 | C13 | 5.1° | 0.0° |
| O3 | C8 | N2 | H23 | 174.9° | 180.0° |
| C9 | C10 | C11 | C12 | 120.6° | 120.0° |
| C9 | C10 | C11 | H16 | 121.1° | 120.0° |
| C9 | C10 | C12 | H16 | 118.3° | 120.0° |
| C10 | C9 | C7 | H13 | 61.0° | 54.7° |
| C10 | C9 | H14 | H15 | 116.9° | 119.9° |
| C9 | C10 | C11 | H17 | 180.0° | 60.0° |
| C9 | C10 | C11 | H18 | 60.0° | 180.0° |
| C9 | C10 | C11 | H19 | 60.0° | 60.0° |
| C9 | C10 | C12 | H20 | 180.0° | 55.0° |
| C9 | C10 | C12 | H21 | 60.0° | 175.1° |
| C9 | C10 | C12 | H22 | 60.0° | 65.0° |
| C11 | C10 | C12 | H16 | 118.5° | 120.0° |
| C11 | C10 | C9 | H14 | 62.9° | 54.2° |
| C11 | C10 | C9 | H15 | 179.1° | 174.1° |
| C10 | C11 | H17 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.1° |
| C11 | C10 | C12 | H20 | 56.9° | 175.1° |
| C11 | C10 | C12 | H21 | 63.1° | 64.9° |
| C11 | C10 | C12 | H22 | 176.9° | 55.0° |
| C12 | C10 | C9 | H14 | 58.1° | 65.9° |
| C12 | C10 | C9 | H15 | 60.0° | 54.0° |
| C12 | C10 | C11 | H17 | 59.4° | 60.0° |
| C12 | C10 | C11 | H18 | 179.4° | 59.9° |
| C12 | C10 | C11 | H19 | 60.7° | 180.0° |
| C10 | C12 | H20 | H21 | 120.0° | 120.0° |
| C10 | C12 | H20 | H22 | 120.0° | 120.1° |
| C10 | C12 | H21 | H22 | 120.0° | 120.0° |
| H10 | C6 | H11 | H12 | 120.0° | 120.0° |
| H10 | C6 | N1 | C1 | 7.4° | 90.0° |
| H11 | C6 | N1 | C1 | 127.4° | 150.0° |
| H12 | C6 | N1 | C1 | 112.6° | 30.0° |
| H13 | C7 | C9 | H14 | 60.0° | 65.3° |
| H13 | C7 | C9 | H15 | 178.0° | 174.7° |
| H13 | C7 | N1 | C1 | 21.2° | 5.7° |
| H13 | C7 | C8 | N2 | 37.6° | 60.0° |
| H14 | C9 | C10 | H16 | 176.1° | 174.2° |
| H15 | C9 | C10 | H16 | 58.0° | 65.9° |
| H16 | C10 | C11 | H17 | 58.9° | 179.9° |
| H16 | C10 | C11 | H18 | 61.1° | 60.0° |
| H16 | C10 | C11 | H19 | 178.9° | 60.1° |
| H16 | C10 | C12 | H20 | 61.7° | 65.0° |
| H16 | C10 | C12 | H21 | 178.3° | 55.1° |
| H16 | C10 | C12 | H22 | 58.3° | 175.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| H20 | C12 | H21 | H22 | 120.0° | 120.0° |
| C29 | C28 | C30 | SI1 | 133.4° | 120.0° |
| C29 | C28 | C30 | H43 | 116.9° | 120.0° |
| C29 | C28 | SI1 | H43 | 110.3° | 119.9° |
| C29 | C28 | SI1 | C22 | 168.8° | 63.8° |
| C29 | C28 | SI1 | O6 | 79.7° | 176.2° |
| C29 | C28 | SI1 | C25 | 42.0° | 56.2° |
| C28 | C29 | H44 | H45 | 120.0° | 120.0° |
| C28 | C29 | H44 | H46 | 120.0° | 120.0° |
| C28 | C29 | H45 | H46 | 120.0° | 120.0° |
| C29 | C28 | C30 | H47 | 180.0° | 49.2° |
| C29 | C28 | C30 | H48 | 60.0° | 169.2° |
| C29 | C28 | C30 | H49 | 60.0° | 70.8° |
| C30 | C28 | SI1 | H43 | 111.3° | 120.1° |
| C30 | C28 | SI1 | C22 | 52.8° | 176.2° |
| C30 | C28 | SI1 | O6 | 58.6° | 56.2° |
| C30 | C28 | SI1 | C25 | 179.6° | 63.8° |
| C30 | C28 | C29 | H44 | 180.0° | 57.9° |
| C30 | C28 | C29 | H45 | 60.0° | 62.1° |
| C30 | C28 | C29 | H46 | 60.0° | 178.0° |
| C28 | C30 | H47 | H48 | 120.0° | 120.0° |
| C28 | C30 | H47 | H49 | 120.0° | 120.0° |
| C28 | C30 | H48 | H49 | 120.0° | 120.0° |
| C23 | C22 | SI1 | C28 | 76.0° | 78.8° |
| C23 | C22 | SI1 | C24 | 126.5° | 120.0° |
| C23 | C22 | SI1 | H29 | 115.8° | 120.0° |
| C23 | C22 | C24 | H29 | 116.3° | 120.0° |
| C23 | C22 | SI1 | O6 | 168.7° | 161.3° |
| C23 | C22 | SI1 | C25 | 51.7° | 41.2° |
| C22 | C23 | H30 | H31 | 120.0° | 120.1° |
| C22 | C23 | H30 | H32 | 120.0° | 120.0° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C23 | C22 | C24 | H33 | 180.0° | 64.4° |
| C23 | C22 | C24 | H34 | 60.0° | 175.7° |
| C23 | C22 | C24 | H35 | 60.0° | 55.7° |
| C28 | SI1 | C22 | O6 | 115.2° | 120.0° |
| C28 | SI1 | C22 | C25 | 127.7° | 120.0° |
| C28 | SI1 | C22 | C24 | 157.5° | 41.2° |
| C28 | SI1 | O6 | C25 | 124.7° | 120.0° |
| C28 | SI1 | O6 | C15 | 56.9° | 67.2° |
| C28 | SI1 | C25 | C26 | 29.1° | 176.2° |
| C28 | SI1 | C25 | C27 | 178.9° | 63.9° |
| C28 | SI1 | C22 | H29 | 39.8° | 161.3° |
| C28 | SI1 | C25 | H36 | 75.3° | 56.2° |
| SI1 | C28 | C29 | H44 | 45.2° | 62.1° |
| SI1 | C28 | C29 | H45 | 74.8° | 177.9° |
| SI1 | C28 | C29 | H46 | 165.2° | 58.0° |
| SI1 | C28 | C30 | H47 | 46.6° | 70.8° |
| SI1 | C28 | C30 | H48 | 166.6° | 49.2° |
| SI1 | C28 | C30 | H49 | 73.4° | 169.2° |
| SI1 | C22 | C24 | H29 | 115.4° | 120.0° |
| C22 | SI1 | O6 | C25 | 119.3° | 120.0° |
| C22 | SI1 | O6 | C15 | 172.9° | 52.8° |
| C22 | SI1 | C25 | C26 | 96.2° | 56.2° |
| C22 | SI1 | C25 | C27 | 55.7° | 176.1° |
| SI1 | C22 | C23 | H30 | 180.0° | 66.4° |
| SI1 | C22 | C23 | H31 | 60.0° | 173.6° |
| SI1 | C22 | C23 | H32 | 60.0° | 53.6° |
| SI1 | C22 | C24 | H33 | 51.7° | 55.6° |
| SI1 | C22 | C24 | H34 | 68.3° | 64.4° |
| SI1 | C22 | C24 | H35 | 171.7° | 175.7° |
| C22 | SI1 | C25 | H36 | 159.3° | 63.8° |
| C22 | SI1 | C28 | H43 | 58.5° | 56.1° |
| C24 | C22 | SI1 | O6 | 42.2° | 78.7° |
| C24 | C22 | SI1 | C25 | 74.8° | 161.2° |
| C24 | C22 | C23 | H30 | 50.4° | 53.6° |
| C24 | C22 | C23 | H31 | 69.6° | 66.4° |
| C24 | C22 | C23 | H32 | 170.4° | 173.6° |
| C22 | C24 | H33 | H34 | 120.0° | 120.0° |
| C22 | C24 | H33 | H35 | 120.0° | 120.0° |
| C22 | C24 | H34 | H35 | 120.0° | 120.0° |
| O6 | SI1 | C25 | C26 | 150.6° | 63.9° |
| O6 | SI1 | C25 | C27 | 57.4° | 56.1° |
| SI1 | O6 | C15 | C16 | 111.9° | 100.5° |
| SI1 | O6 | C15 | C13 | 124.4° | 138.7° |
| SI1 | O6 | C15 | H25 | 7.6° | 19.0° |
| O6 | SI1 | C22 | H29 | 75.5° | 41.3° |
| O6 | SI1 | C25 | H36 | 46.2° | 176.2° |
| O6 | SI1 | C28 | H43 | 170.0° | 63.8° |
| C25 | SI1 | O6 | C15 | 67.8° | 172.8° |
| SI1 | C25 | C26 | C27 | 150.3° | 120.0° |
| SI1 | C25 | C26 | H36 | 103.5° | 120.0° |
| SI1 | C25 | C27 | H36 | 102.6° | 120.0° |
| C25 | SI1 | C22 | H29 | 167.5° | 78.7° |
| SI1 | C25 | C26 | H37 | 180.0° | 180.0° |
| SI1 | C25 | C26 | H38 | 60.0° | 60.0° |
| SI1 | C25 | C26 | H39 | 60.0° | 60.0° |
| SI1 | C25 | C27 | H40 | 180.0° | 49.1° |
| SI1 | C25 | C27 | H41 | 60.0° | 71.0° |
| SI1 | C25 | C27 | H42 | 60.0° | 169.0° |
| C25 | SI1 | C28 | H43 | 68.3° | 176.2° |
| O5 | C21 | C20 | C19 | 179.5° | 176.0° |
| O5 | C21 | C20 | C18 | 176.4° | 172.0° |
| O5 | C21 | C19 | CL1 | 5.4° | 10.8° |
| O5 | C21 | C19 | C17 | 174.8° | 170.5° |
| O5 | C21 | C20 | H28 | 3.6° | 7.7° |
| C21 | O5 | C41 | C40 | 176.0° | 109.2° |
| C21 | O5 | C41 | C42 | 0.0° | 70.6° |
| C21 | C20 | C18 | H28 | 180.0° | 179.7° |
| C20 | C21 | C19 | CL1 | 175.1° | 173.2° |
| C20 | C21 | C19 | C17 | 4.7° | 5.5° |
| C21 | C20 | C18 | C16 | 1.6° | 1.9° |
| C21 | C20 | C18 | H27 | 178.4° | 179.6° |
| C20 | C21 | O5 | C41 | 103.3° | 101.6° |
| C18 | C20 | C21 | C19 | 3.2° | 4.0° |
| C20 | C18 | C16 | H27 | 180.0° | 178.5° |
| C20 | C18 | C16 | C17 | 4.9° | 6.2° |
| C20 | C18 | C16 | C15 | 170.9° | 174.8° |
| C21 | C19 | CL1 | C17 | 179.8° | 178.7° |
| C21 | C19 | C17 | C16 | 1.3° | 1.3° |
| C21 | C19 | C17 | H26 | 178.7° | 177.4° |
| C19 | C21 | C20 | H28 | 176.9° | 176.3° |
| C19 | C21 | O5 | C41 | 76.2° | 74.4° |
| CL1 | C19 | C17 | C16 | 178.4° | 177.5° |
| CL1 | C19 | C17 | H26 | 1.6° | 3.9° |
| C19 | C17 | C16 | C18 | 3.5° | 4.6° |
| C19 | C17 | C16 | H26 | 180.0° | 178.6° |
| C19 | C17 | C16 | C15 | 172.3° | 176.4° |
| C18 | C16 | C15 | O6 | 41.3° | 169.1° |
| C18 | C16 | C17 | C15 | 175.8° | 179.0° |
| C18 | C16 | C15 | C13 | 80.9° | 48.6° |
| C18 | C16 | C15 | H25 | 161.7° | 71.2° |
| C18 | C16 | C17 | H26 | 176.5° | 176.8° |
| C16 | C18 | C20 | H28 | 178.4° | 177.9° |
| O6 | C15 | C16 | C17 | 142.8° | 11.8° |
| O6 | C15 | C16 | C13 | 122.2° | 120.6° |
| O6 | C15 | C16 | H25 | 120.4° | 119.7° |
| O6 | C15 | C13 | H25 | 118.1° | 119.6° |
| O6 | C15 | C13 | N2 | 57.4° | 32.8° |
| O6 | C15 | C13 | C14 | 173.0° | 87.8° |
| O6 | C15 | C13 | H24 | 58.4° | 152.0° |
| C17 | C16 | C15 | C13 | 95.0° | 132.4° |
| C17 | C16 | C15 | H25 | 22.4° | 107.8° |
| C17 | C16 | C18 | H27 | 175.1° | 175.4° |
| C26 | C25 | C27 | H36 | 106.1° | 120.0° |
| C25 | C26 | H37 | H38 | 120.0° | 120.0° |
| C25 | C26 | H37 | H39 | 120.0° | 120.0° |
| C25 | C26 | H38 | H39 | 120.0° | 120.0° |
| C26 | C25 | C27 | H40 | 28.7° | 70.9° |
| C26 | C25 | C27 | H41 | 91.3° | 169.1° |
| C26 | C25 | C27 | H42 | 148.7° | 49.1° |
| C27 | C25 | C26 | H37 | 29.7° | 60.0° |
| C27 | C25 | C26 | H38 | 149.7° | 180.0° |
| C27 | C25 | C26 | H39 | 90.3° | 60.0° |
| C25 | C27 | H40 | H41 | 120.0° | 120.0° |
| C25 | C27 | H40 | H42 | 120.0° | 120.0° |
| C25 | C27 | H41 | H42 | 120.0° | 120.0° |
| C16 | C15 | C13 | H25 | 117.6° | 119.6° |
| C16 | C15 | C13 | N2 | 66.9° | 153.6° |
| C16 | C15 | C13 | C14 | 62.6° | 33.1° |
| C16 | C15 | C13 | H24 | 177.3° | 87.2° |
| C15 | C16 | C17 | H26 | 7.7° | 2.2° |
| C15 | C16 | C18 | H27 | 9.1° | 3.7° |
| C15 | C13 | N2 | C14 | 127.9° | 121.7° |
| C15 | C13 | N2 | H24 | 115.1° | 119.3° |
| C15 | C13 | C14 | H24 | 114.4° | 120.3° |
| C15 | C13 | C14 | O4 | 58.6° | 66.0° |
| C15 | C13 | N2 | H23 | 45.2° | 26.7° |
| C15 | C13 | N2 | C8 | 134.9° | 153.3° |
| C15 | C13 | C14 | N3 | 118.6° | 113.2° |
| N2 | C13 | C14 | H24 | 117.5° | 119.1° |
| N2 | C13 | C14 | O4 | 173.3° | 54.6° |
| C13 | N2 | H23 | C8 | 180.0° | 180.0° |
| N2 | C13 | C15 | H25 | 175.5° | 86.8° |
| N2 | C13 | C14 | N3 | 9.5° | 126.2° |
| C13 | C14 | O4 | N3 | 177.1° | 179.1° |
| C14 | C13 | N2 | H23 | 82.7° | 95.0° |
| C14 | C13 | C15 | H25 | 55.0° | 152.6° |
| C13 | C14 | N3 | C31 | 173.6° | 162.5° |
| C13 | C14 | N3 | H50 | 6.4° | 17.2° |
| C14 | C13 | N2 | C8 | 97.3° | 85.0° |
| O4 | C14 | C13 | H24 | 55.8° | 173.7° |
| O4 | C14 | N3 | C31 | 9.3° | 18.4° |
| O4 | C14 | N3 | H50 | 170.7° | 161.9° |
| H23 | N2 | C13 | H24 | 160.3° | 145.9° |
| H24 | C13 | C15 | H25 | 59.7° | 32.4° |
| H24 | C13 | N2 | C8 | 19.7° | 34.1° |
| H24 | C13 | C14 | N3 | 127.0° | 7.2° |
| H27 | C18 | C20 | H28 | 1.6° | 0.6° |
| H29 | C22 | C23 | H30 | 66.3° | 173.6° |
| H29 | C22 | C23 | H31 | 173.7° | 53.6° |
| H29 | C22 | C23 | H32 | 53.7° | 66.4° |
| H29 | C22 | C24 | H33 | 63.7° | 175.6° |
| H29 | C22 | C24 | H34 | 176.3° | 55.7° |
| H29 | C22 | C24 | H35 | 56.4° | 64.3° |
| H30 | C23 | H31 | H32 | 120.0° | 119.9° |
| H33 | C24 | H34 | H35 | 120.0° | 120.0° |
| H36 | C25 | C26 | H37 | 76.5° | 60.0° |
| H36 | C25 | C26 | H38 | 43.5° | 60.0° |
| H36 | C25 | C26 | H39 | 163.5° | 180.0° |
| H36 | C25 | C27 | H40 | 77.4° | 169.1° |
| H36 | C25 | C27 | H41 | 162.5° | 49.1° |
| H36 | C25 | C27 | H42 | 42.6° | 70.9° |
| H37 | C26 | H38 | H39 | 120.0° | 120.0° |
| H40 | C27 | H41 | H42 | 120.0° | 120.0° |
| H43 | C28 | C29 | H44 | 63.2° | 177.9° |
| H43 | C28 | C29 | H45 | 176.8° | 58.0° |
| H43 | C28 | C29 | H46 | 56.8° | 62.0° |
| H43 | C28 | C30 | H47 | 63.1° | 169.2° |
| H43 | C28 | C30 | H48 | 56.9° | 70.8° |
| H43 | C28 | C30 | H49 | 176.9° | 49.1° |
| H44 | C29 | H45 | H46 | 120.0° | 120.1° |
| H47 | C30 | H48 | H49 | 120.0° | 120.0° |
| N3 | C31 | C32 | O7 | 126.2° | 44.2° |
| N3 | C31 | C32 | C33 | 125.4° | 122.9° |
| N3 | C31 | C32 | H51 | 119.2° | 119.4° |
| N3 | C31 | C33 | H51 | 117.4° | 118.3° |
| N3 | C31 | C33 | C34 | 63.2° | 65.0° |
| C31 | N3 | H50 | C14 | 180.0° | 179.7° |
| N3 | C31 | C33 | H52 | 57.1° | 54.9° |
| N3 | C31 | C33 | H53 | 176.4° | 175.0° |
| N3 | C31 | C32 | N5 | 58.7° | 135.8° |
| O7 | C32 | C31 | N5 | 175.1° | 180.0° |
| O7 | C32 | C31 | C33 | 108.3° | 78.8° |
| O7 | C32 | C31 | H51 | 7.0° | 163.5° |
| O7 | C32 | N5 | C35 | 1.7° | 14.4° |
| O7 | C32 | N5 | H54 | 178.3° | 167.2° |
| C32 | C31 | C33 | H51 | 115.4° | 117.8° |
| C32 | C31 | C33 | C34 | 169.5° | 171.1° |
| C32 | C31 | N3 | H50 | 60.1° | 109.3° |
| C32 | C31 | C33 | H52 | 70.1° | 69.0° |
| C32 | C31 | C33 | H53 | 49.2° | 51.0° |
| C31 | C32 | N5 | C35 | 173.3° | 165.5° |
| C31 | C32 | N5 | H54 | 6.7° | 12.8° |
| C32 | C31 | N3 | C14 | 119.9° | 71.0° |
| C31 | C33 | C34 | H52 | 120.4° | 119.9° |
| C31 | C33 | C34 | H53 | 120.3° | 120.0° |
| C31 | C33 | C34 | N4 | 100.3° | 29.5° |
| C33 | C31 | N3 | H50 | 64.4° | 127.9° |
| C31 | C33 | H52 | H53 | 118.9° | 120.0° |
| C33 | C31 | N3 | C14 | 115.6° | 51.8° |
| C33 | C31 | C32 | N5 | 66.7° | 101.2° |
| C34 | C33 | C31 | H51 | 54.2° | 53.3° |
| C34 | C33 | H52 | H53 | 118.9° | 120.0° |
| N4 | C34 | C33 | H52 | 20.1° | 90.4° |
| N4 | C34 | C33 | H53 | 139.4° | 149.5° |
| H50 | N3 | C31 | H51 | 178.8° | 9.9° |
| H51 | C31 | C33 | H52 | 174.5° | 173.2° |
| H51 | C31 | C33 | H53 | 66.2° | 66.7° |
| H51 | C31 | N3 | C14 | 1.2° | 169.8° |
| H51 | C31 | C32 | N5 | 177.9° | 16.5° |
| C43 | O8 | C40 | C41 | 80.6° | 90.0° |
| C43 | O8 | C40 | C39 | 99.2° | 87.9° |
| O8 | C43 | H58 | H59 | 120.0° | 120.0° |
| O8 | C43 | H58 | H60 | 120.0° | 120.0° |
| O8 | C43 | H59 | H60 | 120.0° | 120.0° |
| O8 | C40 | C41 | C39 | 179.8° | 178.0° |
| O8 | C40 | C41 | C42 | 175.9° | 172.2° |
| O8 | C40 | C39 | C38 | 179.9° | 172.5° |
| C40 | O8 | C43 | H58 | 180.0° | 60.0° |
| C40 | O8 | C43 | H59 | 60.0° | 60.0° |
| C40 | O8 | C43 | H60 | 60.0° | 180.0° |
| O8 | C40 | C41 | O5 | 0.1° | 7.9° |
| O8 | C40 | C39 | O12 | 0.7° | 9.3° |
| C40 | C41 | C42 | O5 | 175.7° | 179.9° |
| C41 | C40 | C39 | C38 | 0.3° | 5.5° |
| C40 | C41 | C42 | C37 | 4.8° | 3.0° |
| C40 | C41 | C42 | H57 | 175.2° | 176.9° |
| C41 | C40 | C39 | O12 | 179.0° | 172.7° |
| C39 | C40 | C41 | C42 | 3.9° | 5.8° |
| C40 | C39 | C38 | O12 | 179.3° | 178.1° |
| C40 | C39 | C38 | C37 | 3.4° | 2.4° |
| C40 | C39 | C38 | H56 | 176.6° | 177.7° |
| C40 | C39 | O12 | C67 | 153.9° | 134.5° |
| C39 | C40 | C41 | O5 | 179.9° | 174.1° |
| C41 | C42 | C37 | H57 | 180.0° | 179.9° |
| C41 | C42 | C37 | C38 | 1.6° | 0.2° |
| C41 | C42 | C37 | C35 | 178.5° | 179.6° |
| C39 | C38 | C37 | C42 | 2.4° | 0.5° |
| C39 | C38 | C37 | H56 | 180.0° | 179.9° |
| C39 | C38 | C37 | C35 | 177.5° | 179.9° |
| C38 | C39 | O12 | C67 | 25.4° | 43.7° |
| C42 | C37 | C38 | C35 | 179.9° | 179.4° |
| C42 | C37 | C35 | N5 | 10.3° | 31.8° |
| C42 | C37 | C35 | C36 | 136.6° | 153.0° |
| C42 | C37 | C35 | H55 | 108.2° | 85.8° |
| C42 | C37 | C38 | H56 | 177.6° | 179.4° |
| C37 | C42 | C41 | O5 | 179.5° | 176.9° |
| C38 | C37 | C35 | N5 | 169.5° | 147.7° |
| C38 | C37 | C35 | C36 | 43.3° | 26.4° |
| C38 | C37 | C35 | H55 | 71.9° | 94.8° |
| C38 | C37 | C42 | H57 | 178.4° | 180.0° |
| C37 | C38 | C39 | O12 | 175.9° | 175.7° |
| C37 | C35 | N5 | C36 | 124.0° | 123.2° |
| C37 | C35 | N5 | H55 | 118.1° | 118.4° |
| C37 | C35 | C36 | H55 | 115.1° | 121.0° |
| C37 | C35 | C36 | S1 | 74.5° | 98.3° |
| C37 | C35 | N5 | H54 | 80.3° | 128.1° |
| C35 | C37 | C38 | H56 | 2.5° | 0.0° |
| C35 | C37 | C42 | H57 | 1.4° | 0.5° |
| C37 | C35 | N5 | C32 | 99.7° | 53.6° |
| C37 | C35 | C36 | N6 | 101.0° | 81.6° |
| N5 | C35 | C36 | H55 | 118.4° | 117.4° |
| N5 | C35 | C36 | S1 | 52.0° | 23.2° |
| C35 | N5 | H54 | C32 | 180.0° | 178.3° |
| N5 | C35 | C36 | N6 | 132.4° | 156.8° |
| C35 | C36 | S1 | N6 | 175.0° | 180.0° |
| C36 | C35 | N5 | H54 | 43.7° | 108.7° |
| C35 | C36 | N6 | C44 | 159.9° | 165.1° |
| C35 | C36 | N6 | H61 | 20.1° | 15.6° |
| C36 | C35 | N5 | C32 | 136.3° | 69.6° |
| S1 | C36 | C35 | H55 | 170.4° | 140.7° |
| S1 | C36 | N6 | C44 | 15.4° | 15.0° |
| S1 | C36 | N6 | H61 | 164.6° | 164.4° |
| H54 | N5 | C35 | H55 | 161.6° | 9.7° |
| H55 | C35 | N5 | C32 | 18.4° | 172.0° |
| H55 | C35 | C36 | N6 | 14.1° | 39.4° |
| H56 | C38 | C39 | O12 | 4.1° | 4.1° |
| H57 | C42 | C41 | O5 | 0.5° | 3.3° |
| H58 | C43 | H59 | H60 | 120.0° | 120.0° |
| N6 | C44 | C45 | O9 | 17.4° | 108.3° |
| N6 | C44 | C45 | C46 | 123.8° | 126.6° |
| N6 | C44 | C45 | H62 | 118.5° | 117.3° |
| N6 | C44 | C46 | H62 | 125.3° | 116.8° |
| N6 | C44 | C46 | C47 | 129.1° | 65.7° |
| N6 | C44 | C46 | C51 | 60.9° | 113.3° |
| C44 | N6 | H61 | C36 | 180.0° | 179.4° |
| N6 | C44 | C45 | N7 | 166.6° | 71.6° |
| O9 | C45 | C44 | N7 | 176.0° | 179.9° |
| O9 | C45 | C44 | C46 | 106.3° | 125.1° |
| O9 | C45 | C44 | H62 | 136.0° | 9.0° |
| O9 | C45 | N7 | C59 | 173.9° | 24.4° |
| O9 | C45 | N7 | H83 | 6.1° | 152.9° |
| C45 | C44 | C46 | H62 | 117.5° | 115.8° |
| C45 | C44 | C46 | C47 | 113.8° | 61.7° |
| C45 | C44 | C46 | C51 | 56.2° | 119.2° |
| C45 | C44 | N6 | H61 | 37.7° | 101.8° |
| C44 | C45 | N7 | C59 | 10.2° | 155.7° |
| C44 | C45 | N7 | H83 | 169.8° | 27.0° |
| C45 | C44 | N6 | C36 | 142.3° | 77.5° |
| C44 | C46 | C47 | C51 | 170.2° | 179.0° |
| C44 | C46 | C47 | C48 | 166.1° | 168.2° |
| C44 | C46 | C51 | C50 | 166.8° | 174.0° |
| C46 | C44 | N6 | H61 | 79.5° | 23.3° |
| C44 | C46 | C47 | H63 | 14.0° | 18.0° |
| C44 | C46 | C51 | H65 | 13.2° | 6.2° |
| C46 | C44 | N6 | C36 | 100.5° | 157.3° |
| C46 | C44 | C45 | N7 | 69.6° | 55.0° |
| C46 | C47 | C48 | H63 | 180.0° | 173.7° |
| C47 | C46 | C51 | C50 | 3.2° | 6.9° |
| C46 | C47 | C48 | C49 | 0.6° | 8.7° |
| C47 | C46 | C44 | H62 | 3.8° | 177.5° |
| C47 | C46 | C51 | H65 | 176.8° | 172.9° |
| C46 | C47 | C48 | C74 | 174.4° | 165.4° |
| C51 | C46 | C47 | C48 | 4.2° | 12.8° |
| C46 | C51 | C50 | H65 | 180.0° | 179.8° |
| C46 | C51 | C50 | C49 | 1.3° | 2.7° |
| C51 | C46 | C44 | H62 | 173.8° | 3.5° |
| C51 | C46 | C47 | H63 | 175.8° | 161.1° |
| C46 | C51 | C50 | H64 | 178.7° | 180.0° |
| C47 | C48 | C49 | C74 | 175.0° | 174.3° |
| C47 | C48 | C49 | C50 | 4.1° | 1.1° |
| C47 | C48 | C49 | O10 | 176.9° | 177.6° |
| C47 | C48 | C74 | C73 | 89.9° | 34.7° |
| C47 | C48 | C74 | C76 | 89.4° | 141.4° |
| C51 | C50 | C49 | C48 | 5.1° | 6.7° |
| C51 | C50 | C49 | H64 | 180.0° | 177.3° |
| C51 | C50 | C49 | O10 | 176.1° | 172.1° |
| C48 | C49 | C50 | O10 | 178.9° | 178.8° |
| C48 | C49 | O10 | C52 | 175.6° | 180.0° |
| C49 | C48 | C47 | H63 | 179.4° | 165.1° |
| C48 | C49 | C50 | H64 | 174.9° | 176.0° |
| C49 | C48 | C74 | C73 | 85.0° | 139.4° |
| C49 | C48 | C74 | C76 | 95.7° | 44.5° |
| C50 | C49 | O10 | C52 | 5.5° | 1.2° |
| C49 | C50 | C51 | H65 | 178.7° | 177.5° |
| C50 | C49 | C48 | C74 | 179.1° | 175.5° |
| O10 | C49 | C50 | H64 | 3.9° | 5.2° |
| C49 | O10 | C52 | H66 | 180.0° | 180.0° |
| C49 | O10 | C52 | H67 | 60.0° | 60.0° |
| C49 | O10 | C52 | H68 | 60.0° | 60.0° |
| O10 | C49 | C48 | C74 | 1.9° | 3.3° |
| O10 | C52 | H66 | H67 | 120.0° | 120.0° |
| O10 | C52 | H66 | H68 | 120.0° | 120.0° |
| O10 | C52 | H67 | H68 | 120.0° | 120.0° |
| H61 | N6 | C44 | H62 | 155.6° | 140.6° |
| H62 | C44 | N6 | C36 | 24.4° | 40.0° |
| H62 | C44 | C45 | N7 | 48.0° | 171.1° |
| H63 | C47 | C48 | C74 | 5.6° | 20.8° |
| H64 | C50 | C51 | H65 | 1.3° | 0.2° |
| H66 | C52 | H67 | H68 | 119.9° | 120.0° |
| O12 | C67 | C66 | C65 | 179.4° | 176.5° |
| O12 | C67 | C65 | CL2 | 3.2° | 17.0° |
| O12 | C67 | C66 | C64 | 178.8° | 172.3° |
| O12 | C67 | C65 | C63 | 177.8° | 165.6° |
| O12 | C67 | C66 | H88 | 1.2° | 10.8° |
| C66 | C67 | C65 | CL2 | 177.4° | 166.6° |
| C67 | C66 | C64 | H88 | 180.0° | 176.9° |
| C66 | C67 | C65 | C63 | 1.6° | 10.8° |
| C67 | C66 | C64 | C62 | 1.6° | 9.5° |
| C67 | C66 | C64 | H87 | 178.4° | 173.1° |
| C66 | C67 | O12 | C39 | 116.2° | 151.8° |
| C67 | C65 | CL2 | C63 | 179.0° | 177.5° |
| C65 | C67 | C66 | C64 | 0.6° | 4.1° |
| C67 | C65 | C63 | C62 | 0.3° | 3.9° |
| C67 | C65 | C63 | H86 | 179.7° | 173.6° |
| C65 | C67 | C66 | H88 | 179.4° | 172.7° |
| C65 | C67 | O12 | C39 | 63.2° | 24.6° |
| CL2 | C65 | C63 | C62 | 178.7° | 173.6° |
| CL2 | C65 | C63 | H86 | 1.3° | 8.9° |
| C66 | C64 | C62 | H87 | 180.0° | 177.4° |
| C66 | C64 | C62 | C63 | 2.9° | 16.4° |
| C66 | C64 | C62 | C61 | 168.9° | 166.3° |
| C65 | C63 | C62 | C64 | 1.9° | 9.7° |
| C65 | C63 | C62 | H86 | 180.0° | 177.5° |
| C65 | C63 | C62 | C61 | 170.2° | 173.1° |
| C70 | C54 | C55 | SI2 | 127.5° | 120.0° |
| C70 | C54 | C55 | H72 | 117.4° | 120.0° |
| C70 | C54 | SI2 | H72 | 123.9° | 120.0° |
| C70 | C54 | SI2 | O13 | 44.1° | 69.6° |
| C70 | C54 | SI2 | C69 | 148.8° | 50.4° |
| C70 | C54 | SI2 | C58 | 85.5° | 170.4° |
| C70 | C54 | C55 | H73 | 180.0° | 171.0° |
| C70 | C54 | C55 | H74 | 60.0° | 69.0° |
| C70 | C54 | C55 | H75 | 60.0° | 51.1° |
| C54 | C70 | H93 | H94 | 120.0° | 120.0° |
| C54 | C70 | H93 | H95 | 120.0° | 120.0° |
| C54 | C70 | H94 | H95 | 120.0° | 120.1° |
| C64 | C62 | C63 | C61 | 172.1° | 177.3° |
| C64 | C62 | C61 | O13 | 26.6° | 26.9° |
| C64 | C62 | C61 | C59 | 91.2° | 94.8° |
| C64 | C62 | C61 | H85 | 151.2° | 145.7° |
| C64 | C62 | C63 | H86 | 178.1° | 172.8° |
| C62 | C64 | C66 | H88 | 178.4° | 173.6° |
| C55 | C54 | SI2 | H72 | 116.5° | 120.1° |
| C55 | C54 | SI2 | O13 | 163.7° | 170.4° |
| C55 | C54 | SI2 | C69 | 91.7° | 69.5° |
| C55 | C54 | SI2 | C58 | 34.0° | 50.5° |
| C54 | C55 | H73 | H74 | 120.0° | 120.0° |
| C54 | C55 | H73 | H75 | 120.0° | 120.0° |
| C54 | C55 | H74 | H75 | 120.0° | 120.1° |
| C55 | C54 | C70 | H93 | 180.0° | 49.4° |
| C55 | C54 | C70 | H94 | 60.0° | 70.6° |
| C55 | C54 | C70 | H95 | 60.0° | 169.3° |
| C63 | C62 | C61 | O13 | 161.5° | 150.4° |
| C63 | C62 | C61 | C59 | 80.6° | 88.0° |
| C63 | C62 | C61 | H85 | 36.9° | 31.5° |
| C63 | C62 | C64 | H87 | 177.1° | 166.2° |
| C54 | SI2 | O13 | C61 | 84.5° | 52.5° |
| C54 | SI2 | O13 | C69 | 102.9° | 120.0° |
| C54 | SI2 | O13 | C58 | 133.4° | 119.9° |
| C54 | SI2 | C69 | C58 | 126.8° | 120.0° |
| C54 | SI2 | C69 | C57 | 51.1° | 70.8° |
| C54 | SI2 | C69 | C56 | 179.1° | 49.2° |
| C54 | SI2 | C58 | C53 | 67.6° | 171.4° |
| C54 | SI2 | C58 | C68 | 84.7° | 68.6° |
| SI2 | C54 | C55 | H73 | 52.5° | 51.0° |
| SI2 | C54 | C55 | H74 | 67.5° | 171.1° |
| SI2 | C54 | C55 | H75 | 172.5° | 68.9° |
| C54 | SI2 | C58 | H82 | 173.2° | 51.4° |
| C54 | SI2 | C69 | H92 | 64.3° | 169.2° |
| SI2 | C54 | C70 | H93 | 56.7° | 70.6° |
| SI2 | C54 | C70 | H94 | 176.7° | 169.4° |
| SI2 | C54 | C70 | H95 | 63.3° | 49.4° |
| C62 | C61 | O13 | C59 | 115.5° | 122.1° |
| C62 | C61 | O13 | H85 | 123.7° | 119.0° |
| C62 | C61 | C59 | H85 | 118.0° | 119.6° |
| C62 | C61 | O13 | SI2 | 109.0° | 104.0° |
| C62 | C61 | C59 | N7 | 50.9° | 14.9° |
| C62 | C61 | C59 | C60 | 175.4° | 113.9° |
| C62 | C61 | C59 | H84 | 65.5° | 130.7° |
| C61 | C62 | C63 | H86 | 9.9° | 4.4° |
| C61 | C62 | C64 | H87 | 11.1° | 11.0° |
| O13 | C61 | C59 | H85 | 122.2° | 118.9° |
| C61 | O13 | SI2 | C69 | 172.6° | 172.5° |
| C61 | O13 | SI2 | C58 | 48.8° | 67.4° |
| O13 | C61 | C59 | N7 | 68.9° | 136.5° |
| O13 | C61 | C59 | C60 | 55.6° | 7.7° |
| O13 | C61 | C59 | H84 | 174.6° | 107.8° |
| C59 | C61 | O13 | SI2 | 135.5° | 133.9° |
| C61 | C59 | N7 | C60 | 128.5° | 127.2° |
| C61 | C59 | N7 | H84 | 115.7° | 115.8° |
| C61 | C59 | C60 | H84 | 118.9° | 115.3° |
| C61 | C59 | C60 | O11 | 103.3° | 77.9° |
| C61 | C59 | N7 | H83 | 59.5° | 63.0° |
| C61 | C59 | N7 | C45 | 120.5° | 114.2° |
| C61 | C59 | C60 | N8 | 80.2° | 102.7° |
| O13 | SI2 | C69 | C58 | 119.8° | 120.0° |
| O13 | SI2 | C69 | C57 | 164.5° | 49.2° |
| O13 | SI2 | C69 | C56 | 65.7° | 169.2° |
| O13 | SI2 | C58 | C53 | 62.2° | 68.7° |
| O13 | SI2 | C58 | C68 | 145.5° | 51.3° |
| O13 | SI2 | C54 | H72 | 79.8° | 50.3° |
| O13 | SI2 | C58 | H82 | 43.4° | 171.3° |
| SI2 | O13 | C61 | H85 | 14.7° | 15.0° |
| O13 | SI2 | C69 | H92 | 49.1° | 70.7° |
| SI2 | C69 | C57 | C56 | 127.8° | 120.0° |
| SI2 | C69 | C57 | H92 | 113.6° | 120.0° |
| SI2 | C69 | C56 | H92 | 112.8° | 120.0° |
| C69 | SI2 | C58 | C53 | 176.3° | 51.3° |
| C69 | SI2 | C58 | C68 | 31.4° | 171.4° |
| C69 | SI2 | C54 | H72 | 24.9° | 170.4° |
| SI2 | C69 | C56 | H76 | 180.0° | 169.6° |
| SI2 | C69 | C56 | H77 | 60.0° | 49.5° |
| SI2 | C69 | C56 | H78 | 60.0° | 70.4° |
| SI2 | C69 | C57 | H79 | 180.0° | 67.1° |
| SI2 | C69 | C57 | H80 | 60.0° | 52.9° |
| SI2 | C69 | C57 | H81 | 60.0° | 172.9° |
| C69 | SI2 | C58 | H82 | 70.7° | 68.7° |
| C58 | SI2 | C69 | C57 | 75.7° | 169.2° |
| C58 | SI2 | C69 | C56 | 54.1° | 70.8° |
| SI2 | C58 | C53 | C68 | 153.4° | 120.0° |
| SI2 | C58 | C53 | H82 | 104.7° | 120.0° |
| SI2 | C58 | C68 | H82 | 101.3° | 120.0° |
| SI2 | C58 | C53 | H69 | 180.0° | 180.0° |
| SI2 | C58 | C53 | H70 | 60.0° | 60.0° |
| SI2 | C58 | C53 | H71 | 60.0° | 60.0° |
| C58 | SI2 | C54 | H72 | 150.5° | 69.6° |
| SI2 | C58 | C68 | H89 | 180.0° | 60.0° |
| SI2 | C58 | C68 | H90 | 60.0° | 60.0° |
| SI2 | C58 | C68 | H91 | 60.0° | 180.0° |
| C58 | SI2 | C69 | H92 | 168.9° | 49.2° |
| C57 | C69 | C56 | H92 | 118.3° | 119.9° |
| C57 | C69 | C56 | H76 | 51.2° | 70.3° |
| C57 | C69 | C56 | H77 | 171.2° | 169.6° |
| C57 | C69 | C56 | H78 | 68.8° | 49.6° |
| C69 | C57 | H79 | H80 | 120.0° | 119.9° |
| C69 | C57 | H79 | H81 | 120.0° | 120.0° |
| C69 | C57 | H80 | H81 | 120.0° | 120.0° |
| C69 | C56 | H76 | H77 | 120.0° | 120.1° |
| C69 | C56 | H76 | H78 | 120.0° | 120.0° |
| C69 | C56 | H77 | H78 | 120.0° | 119.9° |
| C56 | C69 | C57 | H79 | 52.2° | 53.0° |
| C56 | C69 | C57 | H80 | 67.8° | 172.9° |
| C56 | C69 | C57 | H81 | 172.2° | 67.0° |
| C53 | C58 | C68 | H82 | 102.3° | 120.0° |
| C58 | C53 | H69 | H70 | 120.0° | 120.0° |
| C58 | C53 | H69 | H71 | 120.0° | 120.0° |
| C58 | C53 | H70 | H71 | 120.0° | 120.1° |
| C53 | C58 | C68 | H89 | 23.6° | 60.0° |
| C53 | C58 | C68 | H90 | 96.4° | 180.0° |
| C53 | C58 | C68 | H91 | 143.6° | 60.0° |
| N7 | C59 | C60 | H84 | 116.3° | 116.9° |
| N7 | C59 | C60 | O11 | 21.5° | 154.4° |
| C59 | N7 | H83 | C45 | 180.0° | 177.3° |
| N7 | C59 | C61 | H85 | 168.9° | 104.7° |
| N7 | C59 | C60 | N8 | 155.0° | 25.1° |
| C68 | C58 | C53 | H69 | 26.6° | 60.0° |
| C68 | C58 | C53 | H70 | 146.6° | 180.0° |
| C68 | C58 | C53 | H71 | 93.4° | 60.0° |
| C58 | C68 | H89 | H90 | 120.0° | 120.0° |
| C58 | C68 | H89 | H91 | 120.0° | 120.0° |
| C58 | C68 | H90 | H91 | 120.0° | 120.0° |
| C59 | C60 | O11 | N8 | 176.2° | 179.5° |
| C60 | C59 | N7 | H83 | 69.0° | 64.2° |
| C60 | C59 | C61 | H85 | 66.6° | 126.5° |
| C59 | C60 | N8 | C71 | 160.3° | 6.3° |
| C59 | C60 | N8 | H96 | 19.6° | 173.1° |
| C60 | C59 | N7 | C45 | 111.0° | 118.6° |
| O11 | C60 | C59 | H84 | 137.8° | 37.5° |
| O11 | C60 | N8 | C71 | 16.1° | 174.3° |
| O11 | C60 | N8 | H96 | 163.9° | 6.3° |
| H69 | C53 | H70 | H71 | 120.0° | 120.0° |
| H69 | C53 | C58 | H82 | 75.3° | 60.0° |
| H70 | C53 | C58 | H82 | 44.7° | 60.0° |
| H71 | C53 | C58 | H82 | 164.7° | 180.0° |
| H72 | C54 | C55 | H73 | 62.5° | 69.0° |
| H72 | C54 | C55 | H74 | 177.4° | 51.0° |
| H72 | C54 | C55 | H75 | 57.4° | 171.1° |
| H72 | C54 | C70 | H93 | 64.6° | 169.4° |
| H72 | C54 | C70 | H94 | 55.5° | 49.4° |
| H72 | C54 | C70 | H95 | 175.4° | 70.6° |
| H73 | C55 | H74 | H75 | 120.0° | 120.0° |
| H76 | C56 | H77 | H78 | 120.0° | 120.0° |
| H76 | C56 | C69 | H92 | 67.2° | 49.6° |
| H77 | C56 | C69 | H92 | 52.9° | 70.5° |
| H78 | C56 | C69 | H92 | 172.8° | 169.6° |
| H79 | C57 | H80 | H81 | 120.0° | 120.1° |
| H79 | C57 | C69 | H92 | 66.4° | 172.9° |
| H80 | C57 | C69 | H92 | 173.6° | 67.1° |
| H81 | C57 | C69 | H92 | 53.6° | 52.9° |
| H82 | C58 | C68 | H89 | 78.7° | 180.0° |
| H82 | C58 | C68 | H90 | 161.3° | 60.0° |
| H82 | C58 | C68 | H91 | 41.3° | 60.0° |
| H83 | N7 | C59 | H84 | 175.2° | 178.8° |
| H84 | C59 | C61 | H85 | 52.4° | 11.1° |
| H84 | C59 | N7 | C45 | 4.8° | 1.6° |
| H84 | C59 | C60 | N8 | 38.7° | 142.0° |
| H87 | C64 | C66 | H88 | 1.6° | 3.8° |
| H89 | C68 | H90 | H91 | 119.9° | 120.0° |
| H93 | C70 | H94 | H95 | 119.9° | 119.9° |
| N8 | C71 | C72 | O16 | 45.0° | 132.9° |
| N8 | C71 | C73 | C72 | 125.9° | 119.8° |
| N8 | C71 | C73 | H97 | 116.7° | 121.8° |
| N8 | C71 | C72 | H97 | 116.9° | 119.9° |
| N8 | C71 | C73 | C74 | 68.9° | 101.2° |
| N8 | C71 | C73 | C75 | 111.5° | 76.4° |
| C71 | N8 | H96 | C60 | 180.0° | 179.5° |
| N8 | C71 | C72 | O17 | 138.3° | 47.0° |
| O16 | C72 | C71 | C73 | 80.7° | 106.3° |
| O16 | C72 | C71 | O17 | 176.7° | 179.9° |
| O16 | C72 | C71 | H97 | 161.9° | 13.0° |
| O16 | C72 | O17 | C81 | 1.6° | 8.4° |
| C73 | C71 | C72 | H97 | 117.4° | 119.3° |
| C71 | C73 | C74 | C75 | 179.6° | 177.5° |
| C71 | C73 | C74 | C76 | 180.0° | 167.4° |
| C71 | C73 | C75 | C77 | 178.4° | 172.9° |
| C73 | C71 | N8 | H96 | 45.4° | 23.9° |
| C71 | C73 | C75 | H98 | 1.6° | 9.3° |
| C71 | C73 | C74 | C48 | 0.7° | 8.7° |
| C73 | C71 | N8 | C60 | 134.6° | 155.5° |
| C73 | C71 | C72 | O17 | 96.0° | 73.7° |
| C72 | C71 | C73 | C74 | 165.2° | 139.0° |
| C72 | C71 | C73 | C75 | 14.4° | 43.4° |
| C72 | C71 | N8 | H96 | 81.7° | 94.6° |
| C71 | C72 | O17 | C81 | 178.1° | 171.6° |
| C72 | C71 | N8 | C60 | 98.4° | 86.1° |
| C73 | C74 | C76 | C48 | 179.3° | 176.4° |
| C73 | C74 | C76 | O14 | 178.7° | 165.2° |
| C73 | C74 | C76 | C78 | 0.7° | 11.7° |
| C74 | C73 | C75 | C77 | 1.3° | 9.5° |
| C74 | C73 | C71 | H97 | 47.8° | 20.7° |
| C74 | C73 | C75 | H98 | 178.8° | 168.4° |
| C76 | C74 | C73 | C75 | 0.4° | 15.1° |
| C74 | C76 | O14 | C78 | 179.4° | 176.9° |
| C74 | C76 | O14 | C79 | 178.9° | 180.0° |
| C74 | C76 | C78 | C77 | 0.6° | 2.3° |
| C74 | C76 | C78 | H99 | 179.4° | 178.0° |
| C73 | C75 | C77 | H98 | 180.0° | 177.8° |
| C73 | C75 | C77 | C78 | 2.6° | 0.2° |
| C73 | C75 | C77 | O15 | 178.4° | 179.6° |
| C75 | C73 | C71 | H97 | 131.8° | 161.8° |
| C75 | C73 | C74 | C48 | 179.7° | 168.8° |
| O14 | C76 | C78 | C77 | 180.0° | 174.6° |
| O14 | C76 | C78 | H99 | 0.0° | 5.2° |
| C76 | O14 | C79 | H100 | 180.0° | 180.0° |
| C76 | O14 | C79 | H101 | 60.0° | 60.0° |
| C76 | O14 | C79 | H102 | 60.0° | 60.0° |
| O14 | C76 | C74 | C48 | 0.6° | 11.2° |
| C79 | O14 | C76 | C78 | 1.8° | 3.1° |
| O14 | C79 | H100 | H101 | 120.0° | 120.0° |
| O14 | C79 | H100 | H102 | 120.0° | 119.9° |
| O14 | C79 | H101 | H102 | 120.0° | 119.9° |
| C76 | C78 | C77 | C75 | 2.3° | 3.7° |
| C76 | C78 | C77 | H99 | 180.0° | 179.7° |
| C76 | C78 | C77 | O15 | 178.7° | 176.0° |
| C78 | C76 | C74 | C48 | 180.0° | 172.0° |
| C75 | C77 | C78 | O15 | 179.0° | 179.7° |
| C75 | C77 | O15 | C80 | 172.1° | 180.0° |
| C75 | C77 | C78 | H99 | 177.7° | 176.0° |
| C78 | C77 | O15 | C80 | 8.9° | 0.2° |
| C78 | C77 | C75 | H98 | 177.4° | 178.0° |
| O15 | C77 | C75 | H98 | 1.6° | 1.7° |
| O15 | C77 | C78 | H99 | 1.3° | 4.2° |
| C77 | O15 | C80 | H103 | 180.0° | 180.0° |
| C77 | O15 | C80 | H104 | 60.0° | 60.0° |
| C77 | O15 | C80 | H105 | 60.0° | 60.0° |
| O15 | C80 | H103 | H104 | 120.0° | 120.0° |
| O15 | C80 | H103 | H105 | 120.0° | 120.0° |
| O15 | C80 | H104 | H105 | 120.0° | 120.0° |
| H96 | N8 | C71 | H97 | 161.8° | 146.1° |
| H97 | C71 | N8 | C60 | 18.2° | 33.3° |
| H97 | C71 | C72 | O17 | 21.4° | 167.0° |
| H100 | C79 | H101 | H102 | 120.0° | 120.0° |
| H103 | C80 | H104 | H105 | 120.0° | 119.9° |
| O17 | C81 | C82 | C83 | 123.0° | 119.9° |
| O17 | C81 | C82 | C84 | 110.6° | 120.0° |
| O17 | C81 | C83 | C84 | 114.2° | 119.9° |
| O17 | C81 | C82 | H106 | 180.0° | 54.5° |
| O17 | C81 | C82 | H107 | 60.0° | 174.5° |
| O17 | C81 | C82 | H108 | 60.0° | 65.6° |
| O17 | C81 | C83 | H109 | 180.0° | 60.0° |
| O17 | C81 | C83 | H110 | 60.0° | 180.0° |
| O17 | C81 | C83 | H111 | 60.0° | 60.0° |
| O17 | C81 | C84 | H112 | 180.0° | 70.4° |
| O17 | C81 | C84 | H113 | 60.0° | 169.6° |
| O17 | C81 | C84 | H114 | 60.0° | 49.6° |
| C82 | C81 | C83 | C84 | 123.3° | 120.1° |
| C81 | C82 | H106 | H107 | 120.0° | 120.0° |
| C81 | C82 | H106 | H108 | 120.0° | 120.0° |
| C81 | C82 | H107 | H108 | 120.0° | 119.9° |
| C82 | C81 | C83 | H109 | 57.4° | 180.0° |
| C82 | C81 | C83 | H110 | 62.6° | 60.0° |
| C82 | C81 | C83 | H111 | 177.4° | 60.0° |
| C82 | C81 | C84 | H112 | 66.1° | 49.6° |
| C82 | C81 | C84 | H113 | 173.9° | 70.4° |
| C82 | C81 | C84 | H114 | 53.9° | 169.7° |
| C82 | C81 | O17 | C72 | 71.0° | 59.6° |
| C83 | C81 | C82 | H106 | 57.0° | 65.5° |
| C83 | C81 | C82 | H107 | 177.0° | 54.6° |
| C83 | C81 | C82 | H108 | 63.0° | 174.5° |
| C81 | C83 | H109 | H110 | 120.0° | 120.0° |
| C81 | C83 | H109 | H111 | 120.0° | 120.1° |
| C81 | C83 | H110 | H111 | 120.0° | 120.0° |
| C83 | C81 | C84 | H112 | 62.5° | 169.7° |
| C83 | C81 | C84 | H113 | 57.5° | 49.7° |
| C83 | C81 | C84 | H114 | 177.5° | 70.3° |
| C83 | C81 | O17 | C72 | 56.3° | 179.6° |
| C84 | C81 | C82 | H106 | 69.4° | 174.5° |
| C84 | C81 | C82 | H107 | 50.6° | 65.5° |
| C84 | C81 | C82 | H108 | 170.6° | 54.5° |
| C84 | C81 | C83 | H109 | 65.9° | 59.9° |
| C84 | C81 | C83 | H110 | 174.1° | 60.0° |
| C84 | C81 | C83 | H111 | 54.2° | 180.0° |
| C81 | C84 | H112 | H113 | 120.0° | 120.0° |
| C81 | C84 | H112 | H114 | 120.0° | 120.1° |
| C81 | C84 | H113 | H114 | 120.0° | 120.1° |
| C84 | C81 | O17 | C72 | 176.4° | 60.5° |
| H106 | C82 | H107 | H108 | 120.0° | 120.1° |
| H109 | C83 | H110 | H111 | 120.0° | 119.9° |
| H112 | C84 | H113 | H114 | 120.0° | 119.9° |
