SJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.51Å | 1.59Å | |
| C22 | N23 | sing | 1.46Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.57Å | |
| C24 | N23 | sing | 1.35Å | 1.32Å | Aromatic |
| C24 | N26 | doub | 1.30Å | 1.33Å | Aromatic |
| N23 | C28 | sing | 1.37Å | 1.33Å | Aromatic |
| C21 | N20 | sing | 1.46Å | 1.49Å | |
| O30 | N29 | doub | 1.22Å | 1.18Å | |
| N26 | C27 | sing | 1.34Å | 1.33Å | Aromatic |
| C28 | C27 | doub | 1.35Å | 1.38Å | Aromatic |
| C28 | N29 | sing | 1.48Å | 1.46Å | |
| N20 | C18 | sing | 1.35Å | 1.49Å | |
| N29 | O31 | sing | 1.22Å | 1.40Å | |
| C18 | O19 | doub | 1.22Å | 1.19Å | |
| C18 | O17 | sing | 1.35Å | 1.46Å | |
| O17 | C15 | sing | 1.43Å | 1.39Å | |
| C73 | C72 | sing | 1.53Å | 1.50Å | |
| C43 | C41 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | sing | 1.55Å | 1.49Å | |
| C72 | C74 | sing | 1.53Å | 1.54Å | |
| C72 | O71 | sing | 1.43Å | 1.48Å | |
| O33 | C32 | doub | 1.20Å | 1.19Å | |
| C15 | C32 | sing | 1.52Å | 1.60Å | |
| C15 | C16 | sing | 1.57Å | 1.49Å | |
| C15 | C14 | sing | 1.47Å | 1.64Å | |
| C74 | O75 | sing | 1.43Å | 1.43Å | |
| C74 | C76 | sing | 1.53Å | 1.51Å | |
| C32 | C34 | sing | 1.53Å | 1.57Å | |
| C40 | C41 | sing | 1.53Å | 1.58Å | |
| C40 | C38 | sing | 1.51Å | 1.59Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| O71 | C70 | sing | 1.43Å | 1.50Å | |
| C34 | C36 | sing | 1.62Å | 1.52Å | |
| C13 | C12 | sing | 1.48Å | 1.50Å | |
| C76 | C79 | sing | 1.53Å | 1.49Å | |
| C76 | O77 | sing | 1.43Å | 1.46Å | |
| C36 | O37 | sing | 1.42Å | 1.40Å | |
| C36 | C44 | sing | 1.51Å | 1.57Å | |
| C14 | C12 | sing | 1.57Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.51Å | |
| C78 | O77 | sing | 1.43Å | 1.41Å | |
| C38 | O37 | sing | 1.34Å | 1.44Å | |
| C38 | O39 | doub | 1.21Å | 1.18Å | |
| C12 | C11 | sing | 1.54Å | 1.55Å | |
| C79 | C70 | sing | 1.53Å | 1.52Å | |
| C79 | O80 | sing | 1.43Å | 1.45Å | |
| C70 | O69 | sing | 1.43Å | 1.37Å | |
| C44 | C45 | sing | 1.59Å | 1.53Å | |
| C44 | C46 | sing | 1.50Å | 1.50Å | |
| O08 | C06 | sing | 1.43Å | 1.45Å | |
| O08 | C09 | sing | 1.43Å | 1.41Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.52Å | 1.50Å | |
| O69 | C68 | sing | 1.43Å | 1.48Å | |
| C62 | C61 | sing | 1.53Å | 1.50Å | |
| O80 | C81 | sing | 1.43Å | 1.41Å | |
| C11 | O10 | sing | 1.37Å | 1.38Å | |
| C11 | C64 | sing | 1.53Å | 1.57Å | |
| C68 | C66 | sing | 1.53Å | 1.55Å | |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| C46 | C66 | sing | 1.57Å | 1.56Å | |
| C46 | O47 | sing | 1.41Å | 1.43Å | |
| C09 | C82 | sing | 1.53Å | 1.52Å | |
| C82 | C04 | sing | 1.52Å | 1.53Å | |
| C82 | O83 | sing | 1.43Å | 1.41Å | |
| C04 | N03 | doub | 1.28Å | 1.28Å | |
| C61 | O63 | sing | 1.43Å | 1.49Å | |
| C61 | C59 | sing | 1.53Å | 1.52Å | |
| C66 | C67 | sing | 1.53Å | 1.49Å | |
| O02 | N03 | sing | 1.42Å | 1.42Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| O47 | C48 | sing | 1.32Å | 1.48Å | |
| C64 | C52 | sing | 1.45Å | 1.53Å | |
| C64 | C65 | sing | 1.49Å | 1.51Å | |
| O63 | C54 | sing | 1.43Å | 1.46Å | |
| C52 | O53 | sing | 1.44Å | 1.44Å | |
| C52 | C50 | sing | 1.50Å | 1.52Å | |
| O49 | C48 | doub | 1.24Å | 1.18Å | |
| C48 | C50 | sing | 1.54Å | 1.56Å | |
| O60 | C59 | sing | 1.43Å | 1.45Å | |
| C59 | C56 | sing | 1.53Å | 1.47Å | |
| O53 | C54 | sing | 1.43Å | 1.41Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.52Å | 1.53Å | |
| C56 | O58 | sing | 1.43Å | 1.46Å | |
| C56 | C55 | sing | 1.53Å | 1.49Å | |
| C56 | C57 | sing | 1.53Å | 1.55Å | |
| C11 | H1 | sing | 1.10Å | 1.10Å | |
| C12 | H2 | sing | 1.14Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.13Å | 1.10Å | |
| C14 | H7 | sing | 1.12Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.03Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.10Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C43 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.06Å | 1.10Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H47 | sing | 1.10Å | 1.10Å | |
| C50 | H48 | sing | 1.10Å | 1.10Å | |
| C51 | H49 | sing | 1.09Å | 1.10Å | |
| C51 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.11Å | 1.10Å | |
| C54 | H53 | sing | 1.09Å | 1.10Å | |
| C55 | H54 | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C57 | H56 | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C61 | H60 | sing | 1.09Å | 1.10Å | |
| C62 | H61 | sing | 1.09Å | 1.10Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H63 | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.10Å | 1.10Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C65 | H66 | sing | 1.09Å | 1.10Å | |
| C65 | H67 | sing | 1.09Å | 1.10Å | |
| C66 | H68 | sing | 1.09Å | 1.10Å | |
| C67 | H69 | sing | 1.09Å | 1.10Å | |
| C67 | H70 | sing | 1.09Å | 1.10Å | |
| C67 | H71 | sing | 1.09Å | 1.10Å | |
| C68 | H72 | sing | 1.09Å | 1.10Å | |
| C68 | H73 | sing | 1.09Å | 1.10Å | |
| C70 | H74 | sing | 1.09Å | 1.10Å | |
| C72 | H75 | sing | 1.09Å | 1.10Å | |
| C73 | H76 | sing | 1.09Å | 1.10Å | |
| C73 | H77 | sing | 1.09Å | 1.10Å | |
| C73 | H78 | sing | 1.09Å | 1.10Å | |
| C74 | H79 | sing | 1.09Å | 1.10Å | |
| C76 | H80 | sing | 1.09Å | 1.10Å | |
| C78 | H81 | sing | 1.09Å | 1.10Å | |
| C78 | H82 | sing | 1.09Å | 1.10Å | |
| C78 | H83 | sing | 1.09Å | 1.10Å | |
| C79 | H84 | sing | 1.09Å | 1.10Å | |
| C81 | H85 | sing | 1.09Å | 1.10Å | |
| C81 | H86 | sing | 1.09Å | 1.10Å | |
| C81 | H87 | sing | 1.09Å | 1.10Å | |
| C82 | H88 | sing | 1.09Å | 1.10Å | |
| N20 | H89 | sing | 0.97Å | 1.00Å | |
| O58 | H90 | sing | 0.97Å | 0.95Å | |
| O60 | H91 | sing | 0.97Å | 0.95Å | |
| O75 | H92 | sing | 0.97Å | 0.95Å | |
| O83 | H93 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | N23 | 125.5° | 125.6° |
| C25 | C24 | N26 | 125.1° | 125.7° |
| C24 | C25 | H25 | 109.5° | 109.4° |
| C24 | C25 | H26 | 109.5° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| N23 | C22 | C21 | 109.7° | 109.4° |
| C22 | N23 | C24 | 127.1° | 126.4° |
| C22 | N23 | C28 | 124.9° | 126.4° |
| N23 | C22 | H23 | 109.4° | 109.5° |
| N23 | C22 | H24 | 109.4° | 109.5° |
| C22 | C21 | N20 | 110.4° | 109.4° |
| C22 | C21 | H11 | 109.3° | 109.5° |
| C22 | C21 | H12 | 109.3° | 109.4° |
| C21 | C22 | H23 | 109.4° | 109.4° |
| C21 | C22 | H24 | 109.4° | 109.4° |
| N23 | C24 | N26 | 109.4° | 108.7° |
| C24 | N23 | C28 | 108.0° | 107.2° |
| C24 | N26 | C27 | 108.4° | 109.3° |
| N23 | C28 | C27 | 107.6° | 106.8° |
| N23 | C28 | N29 | 125.4° | 126.6° |
| C21 | N20 | C18 | 120.0° | 120.0° |
| N20 | C21 | H11 | 109.2° | 109.4° |
| N20 | C21 | H12 | 109.2° | 109.5° |
| C21 | N20 | H89 | 120.0° | 120.1° |
| O30 | N29 | C28 | 119.5° | 120.0° |
| O30 | N29 | O31 | 120.1° | 120.0° |
| N26 | C27 | C28 | 106.6° | 108.0° |
| N26 | C27 | H28 | 126.7° | 126.0° |
| C27 | C28 | N29 | 127.0° | 126.6° |
| C28 | C27 | H28 | 126.7° | 126.0° |
| C28 | N29 | O31 | 120.4° | 120.0° |
| N20 | C18 | O19 | 118.8° | 120.0° |
| N20 | C18 | O17 | 120.7° | 120.0° |
| C18 | N20 | H89 | 120.0° | 119.9° |
| O19 | C18 | O17 | 120.4° | 120.0° |
| C18 | O17 | C15 | 114.9° | 117.0° |
| O17 | C15 | C32 | 108.8° | 112.5° |
| O17 | C15 | C16 | 110.1° | 110.1° |
| O17 | C15 | C14 | 108.6° | 112.5° |
| C73 | C72 | C74 | 108.6° | 109.5° |
| C73 | C72 | O71 | 109.3° | 109.5° |
| C73 | C72 | H75 | 108.8° | 109.5° |
| C72 | C73 | H76 | 109.5° | 109.5° |
| C72 | C73 | H77 | 109.5° | 109.5° |
| C72 | C73 | H78 | 109.5° | 109.4° |
| C43 | C41 | C40 | 112.1° | 109.5° |
| C43 | C41 | C42 | 112.1° | 109.5° |
| C43 | C41 | H36 | 107.1° | 109.5° |
| C41 | C43 | H40 | 109.5° | 109.4° |
| C41 | C43 | H41 | 109.5° | 109.5° |
| C41 | C43 | H42 | 109.5° | 109.4° |
| C35 | C34 | C32 | 109.5° | 114.1° |
| C35 | C34 | C36 | 108.8° | 110.4° |
| C35 | C34 | H29 | 110.1° | 109.2° |
| C34 | C35 | H30 | 109.5° | 109.5° |
| C34 | C35 | H31 | 109.5° | 109.5° |
| C34 | C35 | H32 | 109.5° | 109.5° |
| C74 | C72 | O71 | 112.9° | 109.4° |
| C72 | C74 | O75 | 107.8° | 109.6° |
| C72 | C74 | C76 | 112.3° | 109.2° |
| C74 | C72 | H75 | 108.2° | 109.5° |
| C72 | C74 | H79 | 107.8° | 109.6° |
| C72 | O71 | C70 | 111.3° | 114.1° |
| O71 | C72 | H75 | 108.9° | 109.5° |
| O33 | C32 | C15 | 119.6° | 121.3° |
| O33 | C32 | C34 | 119.7° | 113.4° |
| C32 | C15 | C16 | 109.8° | 105.9° |
| C32 | C15 | C14 | 111.7° | 107.8° |
| C15 | C32 | C34 | 120.7° | 125.3° |
| C16 | C15 | C14 | 107.8° | 107.8° |
| C15 | C16 | H8 | 109.5° | 109.5° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| C15 | C14 | C12 | 115.4° | 112.7° |
| C15 | C14 | H6 | 108.0° | 113.1° |
| C15 | C14 | H7 | 108.0° | 108.9° |
| O75 | C74 | C76 | 111.4° | 109.5° |
| O75 | C74 | H79 | 109.2° | 109.5° |
| C74 | O75 | H92 | 109.5° | 114.0° |
| C74 | C76 | C79 | 111.1° | 109.0° |
| C74 | C76 | O77 | 111.0° | 109.5° |
| C76 | C74 | H79 | 108.2° | 109.5° |
| C74 | C76 | H80 | 107.9° | 109.6° |
| C32 | C34 | C36 | 109.9° | 107.9° |
| C32 | C34 | H29 | 109.0° | 110.7° |
| C41 | C40 | C38 | 110.6° | 109.5° |
| C40 | C41 | C42 | 110.8° | 109.5° |
| C41 | C40 | H34 | 109.2° | 109.5° |
| C41 | C40 | H35 | 109.2° | 109.5° |
| C40 | C41 | H36 | 106.9° | 109.4° |
| C40 | C38 | O37 | 121.3° | 120.0° |
| C40 | C38 | O39 | 119.0° | 120.0° |
| C38 | C40 | H34 | 109.2° | 109.5° |
| C38 | C40 | H35 | 109.2° | 109.5° |
| C42 | C41 | H36 | 107.5° | 109.5° |
| C41 | C42 | H37 | 109.5° | 109.5° |
| C41 | C42 | H38 | 109.5° | 109.5° |
| C41 | C42 | H39 | 109.4° | 109.5° |
| O71 | C70 | C79 | 109.8° | 109.4° |
| O71 | C70 | O69 | 109.9° | 109.5° |
| O71 | C70 | H74 | 108.5° | 109.5° |
| C34 | C36 | O37 | 108.8° | 105.2° |
| C34 | C36 | C44 | 109.9° | 112.1° |
| C36 | C34 | H29 | 109.6° | 104.1° |
| C34 | C36 | H33 | 108.8° | 108.0° |
| C13 | C12 | C14 | 109.2° | 109.6° |
| C13 | C12 | C11 | 108.9° | 109.0° |
| C13 | C12 | H2 | 110.0° | 108.2° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.4° | 109.4° |
| C79 | C76 | O77 | 110.0° | 109.6° |
| C76 | C79 | C70 | 109.9° | 109.2° |
| C76 | C79 | O80 | 111.2° | 109.5° |
| C79 | C76 | H80 | 108.1° | 109.6° |
| C76 | C79 | H84 | 108.6° | 109.5° |
| C76 | O77 | C78 | 114.2° | 114.0° |
| O77 | C76 | H80 | 108.5° | 109.6° |
| O37 | C36 | C44 | 110.6° | 114.0° |
| C36 | O37 | C38 | 114.4° | 117.0° |
| O37 | C36 | H33 | 110.5° | 109.8° |
| C36 | C44 | C45 | 110.4° | 108.0° |
| C36 | C44 | C46 | 111.6° | 113.6° |
| C44 | C36 | H33 | 108.3° | 107.6° |
| C36 | C44 | H43 | 108.4° | 115.9° |
| C14 | C12 | C11 | 110.1° | 111.7° |
| C14 | C12 | H2 | 109.2° | 106.7° |
| C12 | C14 | H6 | 108.0° | 106.2° |
| C12 | C14 | H7 | 108.0° | 112.0° |
| C07 | C06 | O08 | 108.6° | 109.5° |
| C07 | C06 | C05 | 108.5° | 109.5° |
| C07 | C06 | H18 | 108.7° | 109.4° |
| C06 | C07 | H19 | 109.5° | 109.4° |
| C06 | C07 | H20 | 109.4° | 109.5° |
| C06 | C07 | H21 | 109.4° | 109.5° |
| O77 | C78 | H81 | 109.5° | 109.4° |
| O77 | C78 | H82 | 109.4° | 109.5° |
| O77 | C78 | H83 | 109.5° | 109.5° |
| O37 | C38 | O39 | 119.7° | 120.0° |
| C12 | C11 | O10 | 109.8° | 112.3° |
| C12 | C11 | C64 | 109.8° | 112.7° |
| C12 | C11 | H1 | 108.4° | 101.7° |
| C11 | C12 | H2 | 109.4° | 111.6° |
| C70 | C79 | O80 | 109.7° | 109.5° |
| C79 | C70 | O69 | 110.1° | 109.5° |
| C79 | C70 | H74 | 108.2° | 109.5° |
| C70 | C79 | H84 | 108.1° | 109.6° |
| C79 | O80 | C81 | 113.6° | 114.0° |
| O80 | C79 | H84 | 109.2° | 109.6° |
| C70 | O69 | C68 | 112.9° | 114.0° |
| O69 | C70 | H74 | 110.3° | 109.5° |
| C45 | C44 | C46 | 108.4° | 105.6° |
| C45 | C44 | H43 | 108.9° | 103.0° |
| C44 | C45 | H44 | 109.5° | 109.4° |
| C44 | C45 | H45 | 109.5° | 109.5° |
| C44 | C45 | H46 | 109.4° | 109.5° |
| C44 | C46 | C66 | 108.7° | 112.0° |
| C44 | C46 | O47 | 109.5° | 108.1° |
| C46 | C44 | H43 | 109.2° | 109.8° |
| C44 | C46 | H47 | 109.8° | 105.2° |
| C06 | O08 | C09 | 111.8° | 114.6° |
| O08 | C06 | C05 | 113.0° | 109.3° |
| O08 | C06 | H18 | 109.5° | 109.6° |
| O08 | C09 | O10 | 108.6° | 109.7° |
| O08 | C09 | C82 | 111.7° | 109.3° |
| O08 | C09 | H22 | 110.0° | 109.5° |
| C06 | C05 | C04 | 114.0° | 108.1° |
| C06 | C05 | H16 | 108.3° | 109.8° |
| C06 | C05 | H17 | 108.3° | 109.8° |
| C05 | C06 | H18 | 108.4° | 109.5° |
| C05 | C04 | C82 | 108.6° | 117.6° |
| C05 | C04 | N03 | 120.2° | 121.2° |
| C04 | C05 | H16 | 108.3° | 109.7° |
| C04 | C05 | H17 | 108.3° | 109.7° |
| O69 | C68 | C66 | 109.4° | 109.5° |
| O69 | C68 | H72 | 109.5° | 109.5° |
| O69 | C68 | H73 | 109.5° | 109.5° |
| C62 | C61 | O63 | 108.3° | 109.5° |
| C62 | C61 | C59 | 108.6° | 109.4° |
| C62 | C61 | H60 | 109.3° | 109.5° |
| C61 | C62 | H61 | 109.5° | 109.5° |
| C61 | C62 | H62 | 109.5° | 109.4° |
| C61 | C62 | H63 | 109.5° | 109.5° |
| O80 | C81 | H85 | 109.5° | 109.5° |
| O80 | C81 | H86 | 109.5° | 109.5° |
| O80 | C81 | H87 | 109.5° | 109.5° |
| O10 | C11 | C64 | 109.9° | 113.2° |
| C11 | O10 | C09 | 113.9° | 114.0° |
| O10 | C11 | H1 | 110.7° | 106.4° |
| C11 | C64 | C52 | 110.3° | 110.1° |
| C11 | C64 | C65 | 111.1° | 111.6° |
| C64 | C11 | H1 | 108.1° | 109.6° |
| C11 | C64 | H64 | 108.4° | 105.2° |
| C68 | C66 | C46 | 109.7° | 109.5° |
| C68 | C66 | C67 | 109.4° | 109.5° |
| C68 | C66 | H68 | 109.2° | 109.4° |
| C66 | C68 | H72 | 109.5° | 109.4° |
| C66 | C68 | H73 | 109.5° | 109.5° |
| O10 | C09 | C82 | 107.8° | 109.5° |
| O10 | C09 | H22 | 110.2° | 109.4° |
| C66 | C46 | O47 | 108.8° | 114.4° |
| C46 | C66 | C67 | 109.5° | 109.5° |
| C66 | C46 | H47 | 109.1° | 107.9° |
| C46 | C66 | H68 | 109.1° | 109.5° |
| C46 | O47 | C48 | 114.2° | 128.8° |
| O47 | C46 | H47 | 110.9° | 108.9° |
| C09 | C82 | C04 | 112.5° | 108.1° |
| C09 | C82 | O83 | 107.9° | 109.8° |
| C82 | C09 | H22 | 108.5° | 109.5° |
| C09 | C82 | H88 | 108.7° | 109.7° |
| C04 | C82 | O83 | 109.0° | 109.8° |
| C82 | C04 | N03 | 120.7° | 121.2° |
| C04 | C82 | H88 | 108.6° | 109.7° |
| O83 | C82 | H88 | 110.2° | 109.8° |
| C82 | O83 | H93 | 109.5° | 114.0° |
| C04 | N03 | O02 | 119.3° | 120.0° |
| O63 | C61 | C59 | 112.2° | 109.4° |
| C61 | O63 | C54 | 111.6° | 114.1° |
| O63 | C61 | H60 | 109.3° | 109.5° |
| C61 | C59 | O60 | 108.2° | 109.6° |
| C61 | C59 | C56 | 113.1° | 109.2° |
| C61 | C59 | H59 | 108.6° | 109.5° |
| C59 | C61 | H60 | 109.1° | 109.5° |
| C67 | C66 | H68 | 109.9° | 109.5° |
| C66 | C67 | H69 | 109.5° | 109.5° |
| C66 | C67 | H70 | 109.5° | 109.5° |
| C66 | C67 | H71 | 109.4° | 109.5° |
| N03 | O02 | C01 | 109.4° | 114.0° |
| O02 | C01 | H13 | 109.5° | 109.4° |
| O02 | C01 | H14 | 109.5° | 109.5° |
| O02 | C01 | H15 | 109.5° | 109.4° |
| O47 | C48 | O49 | 119.9° | 121.7° |
| O47 | C48 | C50 | 120.5° | 123.7° |
| C52 | C64 | C65 | 108.9° | 115.7° |
| C64 | C52 | O53 | 110.3° | 113.4° |
| C64 | C52 | C50 | 108.7° | 120.4° |
| C64 | C52 | H52 | 108.5° | 109.7° |
| C52 | C64 | H64 | 108.9° | 110.5° |
| C65 | C64 | H64 | 109.2° | 103.0° |
| C64 | C65 | H65 | 109.5° | 109.5° |
| C64 | C65 | H66 | 109.5° | 109.4° |
| C64 | C65 | H67 | 109.5° | 109.5° |
| O63 | C54 | O53 | 109.3° | 109.5° |
| O63 | C54 | C55 | 111.9° | 109.4° |
| O63 | C54 | H53 | 108.6° | 109.4° |
| O53 | C52 | C50 | 111.0° | 106.3° |
| C52 | O53 | C54 | 112.3° | 114.0° |
| O53 | C52 | H52 | 109.7° | 100.9° |
| C52 | C50 | C48 | 109.0° | 114.2° |
| C52 | C50 | C51 | 111.3° | 113.3° |
| C52 | C50 | H48 | 109.4° | 112.7° |
| C50 | C52 | H52 | 108.6° | 104.0° |
| O49 | C48 | C50 | 119.7° | 114.5° |
| C48 | C50 | C51 | 109.0° | 107.9° |
| C48 | C50 | H48 | 108.8° | 107.2° |
| O60 | C59 | C56 | 108.3° | 109.5° |
| O60 | C59 | H59 | 109.4° | 109.5° |
| C59 | O60 | H91 | 109.5° | 114.0° |
| C59 | C56 | O58 | 108.9° | 109.5° |
| C59 | C56 | C55 | 113.4° | 109.0° |
| C59 | C56 | C57 | 108.2° | 109.6° |
| C56 | C59 | H59 | 109.2° | 109.5° |
| O53 | C54 | C55 | 109.9° | 109.5° |
| O53 | C54 | H53 | 109.3° | 109.5° |
| C54 | C55 | C56 | 112.9° | 109.2° |
| C55 | C54 | H53 | 107.8° | 109.5° |
| C54 | C55 | H54 | 108.6° | 109.5° |
| C54 | C55 | H55 | 108.6° | 109.6° |
| C51 | C50 | H48 | 109.3° | 100.5° |
| C50 | C51 | H49 | 109.5° | 109.5° |
| C50 | C51 | H50 | 109.4° | 109.5° |
| C50 | C51 | H51 | 109.5° | 109.5° |
| O58 | C56 | C55 | 108.1° | 109.5° |
| O58 | C56 | C57 | 109.5° | 109.6° |
| C56 | O58 | H90 | 109.5° | 114.0° |
| C55 | C56 | C57 | 108.6° | 109.6° |
| C56 | C55 | H54 | 108.6° | 109.5° |
| C56 | C55 | H55 | 108.6° | 109.5° |
| C56 | C57 | H56 | 109.5° | 109.5° |
| C56 | C57 | H57 | 109.5° | 109.4° |
| C56 | C57 | H58 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 103.6° |
| H8 | C16 | H9 | 109.4° | 109.5° |
| H8 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.4° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H16 | C05 | H17 | 109.5° | 109.7° |
| H19 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H21 | 109.5° | 109.5° |
| H20 | C07 | H21 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H30 | C35 | H31 | 109.5° | 109.4° |
| H30 | C35 | H32 | 109.4° | 109.4° |
| H31 | C35 | H32 | 109.4° | 109.4° |
| H34 | C40 | H35 | 109.5° | 109.5° |
| H37 | C42 | H38 | 109.5° | 109.5° |
| H37 | C42 | H39 | 109.5° | 109.4° |
| H38 | C42 | H39 | 109.5° | 109.4° |
| H40 | C43 | H41 | 109.5° | 109.4° |
| H40 | C43 | H42 | 109.5° | 109.5° |
| H41 | C43 | H42 | 109.4° | 109.5° |
| H44 | C45 | H45 | 109.5° | 109.4° |
| H44 | C45 | H46 | 109.5° | 109.5° |
| H45 | C45 | H46 | 109.5° | 109.5° |
| H49 | C51 | H50 | 109.5° | 109.5° |
| H49 | C51 | H51 | 109.4° | 109.5° |
| H50 | C51 | H51 | 109.4° | 109.5° |
| H54 | C55 | H55 | 109.5° | 109.5° |
| H56 | C57 | H57 | 109.4° | 109.5° |
| H56 | C57 | H58 | 109.5° | 109.5° |
| H57 | C57 | H58 | 109.5° | 109.5° |
| H61 | C62 | H62 | 109.5° | 109.5° |
| H61 | C62 | H63 | 109.5° | 109.5° |
| H62 | C62 | H63 | 109.5° | 109.5° |
| H65 | C65 | H66 | 109.5° | 109.5° |
| H65 | C65 | H67 | 109.5° | 109.5° |
| H66 | C65 | H67 | 109.5° | 109.5° |
| H69 | C67 | H70 | 109.5° | 109.4° |
| H69 | C67 | H71 | 109.5° | 109.5° |
| H70 | C67 | H71 | 109.5° | 109.4° |
| H72 | C68 | H73 | 109.5° | 109.4° |
| H76 | C73 | H77 | 109.5° | 109.5° |
| H76 | C73 | H78 | 109.5° | 109.5° |
| H77 | C73 | H78 | 109.5° | 109.5° |
| H81 | C78 | H82 | 109.5° | 109.4° |
| H81 | C78 | H83 | 109.5° | 109.5° |
| H82 | C78 | H83 | 109.5° | 109.5° |
| H85 | C81 | H86 | 109.4° | 109.5° |
| H85 | C81 | H87 | 109.5° | 109.4° |
| H86 | C81 | H87 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | N23 | C22 | 0.0° | 0.4° |
| C25 | C24 | N23 | N26 | 180.0° | 179.7° |
| C25 | C24 | N23 | C28 | 179.9° | 179.7° |
| C25 | C24 | N26 | C27 | 180.0° | 179.7° |
| C24 | C25 | H25 | H26 | 120.0° | 120.0° |
| C24 | C25 | H25 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| N23 | C22 | C21 | H23 | 120.0° | 120.0° |
| N23 | C22 | C21 | H24 | 120.0° | 120.0° |
| C22 | N23 | C24 | C28 | 179.9° | 179.9° |
| C22 | N23 | C24 | N26 | 179.9° | 179.9° |
| N23 | C22 | C21 | N20 | 100.6° | 180.0° |
| C22 | N23 | C28 | C27 | 180.0° | 179.9° |
| C22 | N23 | C28 | N29 | 0.2° | 0.1° |
| N23 | C22 | C21 | H11 | 139.3° | 60.0° |
| N23 | C22 | C21 | H12 | 19.6° | 60.0° |
| N23 | C22 | H23 | H24 | 119.9° | 120.1° |
| C21 | C22 | N23 | C24 | 137.8° | 90.1° |
| C21 | C22 | N23 | C28 | 42.1° | 90.1° |
| C22 | C21 | N20 | H11 | 120.1° | 120.0° |
| C22 | C21 | N20 | H12 | 120.1° | 120.0° |
| C22 | C21 | N20 | C18 | 103.8° | 180.0° |
| C22 | C21 | H11 | H12 | 119.6° | 120.0° |
| C21 | C22 | H23 | H24 | 119.9° | 119.9° |
| C22 | C21 | N20 | H89 | 76.2° | 0.0° |
| N23 | C24 | N26 | C27 | 0.1° | 0.0° |
| C24 | N23 | C28 | C27 | 0.1° | 0.0° |
| C24 | N23 | C28 | N29 | 179.8° | 180.0° |
| C24 | N23 | C22 | H23 | 17.8° | 29.9° |
| C24 | N23 | C22 | H24 | 102.2° | 150.0° |
| N23 | C24 | C25 | H25 | 180.0° | 90.1° |
| N23 | C24 | C25 | H26 | 60.0° | 150.0° |
| N23 | C24 | C25 | H27 | 60.0° | 29.9° |
| N26 | C24 | N23 | C28 | 0.0° | 0.0° |
| C24 | N26 | C27 | C28 | 0.1° | 0.0° |
| N26 | C24 | C25 | H25 | 0.0° | 90.3° |
| N26 | C24 | C25 | H26 | 120.0° | 29.6° |
| N26 | C24 | C25 | H27 | 120.0° | 149.7° |
| C24 | N26 | C27 | H28 | 179.9° | 180.0° |
| N23 | C28 | N29 | O30 | 40.7° | 0.0° |
| N23 | C28 | C27 | N26 | 0.1° | 0.0° |
| N23 | C28 | C27 | N29 | 179.7° | 180.0° |
| N23 | C28 | N29 | O31 | 139.1° | 180.0° |
| C28 | N23 | C22 | H23 | 162.1° | 150.0° |
| C28 | N23 | C22 | H24 | 77.9° | 29.9° |
| N23 | C28 | C27 | H28 | 179.9° | 180.0° |
| C21 | N20 | C18 | H89 | 180.0° | 180.0° |
| C21 | N20 | C18 | O19 | 97.8° | 0.0° |
| C21 | N20 | C18 | O17 | 81.8° | 180.0° |
| N20 | C21 | H11 | H12 | 119.6° | 120.1° |
| N20 | C21 | C22 | H23 | 19.5° | 60.0° |
| N20 | C21 | C22 | H24 | 139.4° | 60.0° |
| O30 | N29 | C28 | C27 | 139.0° | 180.0° |
| O30 | N29 | C28 | O31 | 179.9° | 180.0° |
| N26 | C27 | C28 | H28 | 180.0° | 180.0° |
| N26 | C27 | C28 | N29 | 179.9° | 180.0° |
| C27 | C28 | N29 | O31 | 41.2° | 0.0° |
| N29 | C28 | C27 | H28 | 0.1° | 0.0° |
| N20 | C18 | O19 | O17 | 179.6° | 180.0° |
| N20 | C18 | O17 | C15 | 170.4° | 178.7° |
| C18 | N20 | C21 | H11 | 136.1° | 60.0° |
| C18 | N20 | C21 | H12 | 16.4° | 60.0° |
| O19 | C18 | O17 | C15 | 9.2° | 1.3° |
| O19 | C18 | N20 | H89 | 82.2° | 180.0° |
| C18 | O17 | C15 | C32 | 58.3° | 71.0° |
| C18 | O17 | C15 | C16 | 62.1° | 46.8° |
| C18 | O17 | C15 | C14 | 179.9° | 167.0° |
| O17 | C18 | N20 | H89 | 98.2° | 0.0° |
| O17 | C15 | C32 | O33 | 41.8° | 170.5° |
| O17 | C15 | C32 | C16 | 120.5° | 120.3° |
| O17 | C15 | C32 | C14 | 120.0° | 124.6° |
| O17 | C15 | C16 | C14 | 118.3° | 123.0° |
| O17 | C15 | C32 | C34 | 137.7° | 7.3° |
| O17 | C15 | C14 | C12 | 100.6° | 14.7° |
| O17 | C15 | C14 | H6 | 138.5° | 135.1° |
| O17 | C15 | C14 | H7 | 20.3° | 110.3° |
| O17 | C15 | C16 | H8 | 180.0° | 61.8° |
| O17 | C15 | C16 | H9 | 60.0° | 58.2° |
| O17 | C15 | C16 | H10 | 60.0° | 178.1° |
| C73 | C72 | C74 | O71 | 121.4° | 120.0° |
| C73 | C72 | C74 | H75 | 117.9° | 120.1° |
| C73 | C72 | O71 | H75 | 118.7° | 120.1° |
| C73 | C72 | C74 | O75 | 174.8° | 62.5° |
| C73 | C72 | C74 | C76 | 62.1° | 177.5° |
| C73 | C72 | O71 | C70 | 96.3° | 178.9° |
| C72 | C73 | H76 | H77 | 120.0° | 120.0° |
| C72 | C73 | H76 | H78 | 120.0° | 120.0° |
| C72 | C73 | H77 | H78 | 120.0° | 119.9° |
| C73 | C72 | C74 | H79 | 57.0° | 57.6° |
| C43 | C41 | C40 | C42 | 126.0° | 120.0° |
| C43 | C41 | C40 | H36 | 117.1° | 120.0° |
| C43 | C41 | C40 | C38 | 160.1° | 61.8° |
| C43 | C41 | C42 | H36 | 117.5° | 120.0° |
| C43 | C41 | C40 | H34 | 39.9° | 178.2° |
| C43 | C41 | C40 | H35 | 79.8° | 58.2° |
| C43 | C41 | C42 | H37 | 180.0° | 55.0° |
| C43 | C41 | C42 | H38 | 60.0° | 65.0° |
| C43 | C41 | C42 | H39 | 60.0° | 175.0° |
| C41 | C43 | H40 | H41 | 120.0° | 120.0° |
| C41 | C43 | H40 | H42 | 120.0° | 120.0° |
| C41 | C43 | H41 | H42 | 120.0° | 120.0° |
| C35 | C34 | C32 | O33 | 90.1° | 140.5° |
| C35 | C34 | C32 | C15 | 89.4° | 37.4° |
| C35 | C34 | C32 | C36 | 119.4° | 123.1° |
| C35 | C34 | C32 | H29 | 120.5° | 123.6° |
| C35 | C34 | C36 | H29 | 120.4° | 117.0° |
| C35 | C34 | C36 | O37 | 153.4° | 164.2° |
| C35 | C34 | C36 | C44 | 85.4° | 39.8° |
| C34 | C35 | H30 | H31 | 120.0° | 120.0° |
| C34 | C35 | H30 | H32 | 120.0° | 120.1° |
| C34 | C35 | H31 | H32 | 120.0° | 120.0° |
| C35 | C34 | C36 | H33 | 33.0° | 78.6° |
| C74 | C72 | O71 | H75 | 120.3° | 120.0° |
| C72 | C74 | O75 | C76 | 123.7° | 119.7° |
| C72 | C74 | O75 | H79 | 116.9° | 120.2° |
| C72 | C74 | C76 | H79 | 118.8° | 120.0° |
| C74 | C72 | O71 | C70 | 24.7° | 61.2° |
| C72 | C74 | C76 | C79 | 25.5° | 57.0° |
| C72 | C74 | C76 | O77 | 148.3° | 62.9° |
| C74 | C72 | C73 | H76 | 180.0° | 60.0° |
| C74 | C72 | C73 | H77 | 60.0° | 180.0° |
| C74 | C72 | C73 | H78 | 60.0° | 60.0° |
| C72 | C74 | C76 | H80 | 92.9° | 176.9° |
| C72 | C74 | O75 | H92 | 180.0° | 59.9° |
| O71 | C72 | C74 | O75 | 63.8° | 177.5° |
| O71 | C72 | C74 | C76 | 59.3° | 57.6° |
| C72 | O71 | C70 | C79 | 36.4° | 61.2° |
| C72 | O71 | C70 | O69 | 157.6° | 178.9° |
| C72 | O71 | C70 | H74 | 81.7° | 58.9° |
| O71 | C72 | C73 | H76 | 56.4° | 59.9° |
| O71 | C72 | C73 | H77 | 176.4° | 60.1° |
| O71 | C72 | C73 | H78 | 63.6° | 180.0° |
| O71 | C72 | C74 | H79 | 178.4° | 62.4° |
| O33 | C32 | C15 | C34 | 179.5° | 177.7° |
| O33 | C32 | C15 | C16 | 162.4° | 50.2° |
| O33 | C32 | C15 | C14 | 78.1° | 64.9° |
| O33 | C32 | C34 | C36 | 29.3° | 96.4° |
| O33 | C32 | C34 | H29 | 149.4° | 16.9° |
| C32 | C15 | C16 | C14 | 121.9° | 115.1° |
| C15 | C32 | C34 | C36 | 151.2° | 85.7° |
| C32 | C15 | C14 | C12 | 19.5° | 139.3° |
| C32 | C15 | C14 | H6 | 101.4° | 100.2° |
| C32 | C15 | C14 | H7 | 140.4° | 14.4° |
| C32 | C15 | C16 | H8 | 60.2° | 60.0° |
| C32 | C15 | C16 | H9 | 59.8° | 180.0° |
| C32 | C15 | C16 | H10 | 179.8° | 60.1° |
| C15 | C32 | C34 | H29 | 31.1° | 161.0° |
| C16 | C15 | C32 | C34 | 17.1° | 127.5° |
| C16 | C15 | C14 | C12 | 140.2° | 106.8° |
| C16 | C15 | C14 | H6 | 19.3° | 13.6° |
| C16 | C15 | C14 | H7 | 98.9° | 128.2° |
| C15 | C16 | H8 | H9 | 120.0° | 120.0° |
| C15 | C16 | H8 | H10 | 120.0° | 120.1° |
| C15 | C16 | H9 | H10 | 120.0° | 119.9° |
| C14 | C15 | C32 | C34 | 102.4° | 117.4° |
| C15 | C14 | C12 | C13 | 82.2° | 122.3° |
| C15 | C14 | C12 | H6 | 120.9° | 124.3° |
| C15 | C14 | C12 | H7 | 120.9° | 123.2° |
| C15 | C14 | C12 | C11 | 158.3° | 116.9° |
| C15 | C14 | C12 | H2 | 38.2° | 5.3° |
| C15 | C14 | H6 | H7 | 117.3° | 117.7° |
| C14 | C15 | C16 | H8 | 61.7° | 175.1° |
| C14 | C15 | C16 | H9 | 178.3° | 64.9° |
| C14 | C15 | C16 | H10 | 58.3° | 55.0° |
| O75 | C74 | C76 | H79 | 120.0° | 120.1° |
| O75 | C74 | C76 | C79 | 95.6° | 176.9° |
| O75 | C74 | C76 | O77 | 27.2° | 57.1° |
| O75 | C74 | C72 | H75 | 56.9° | 57.6° |
| O75 | C74 | C76 | H80 | 146.0° | 63.2° |
| C74 | C76 | C79 | O77 | 123.4° | 119.8° |
| C74 | C76 | C79 | H80 | 118.3° | 119.9° |
| C74 | C76 | O77 | H80 | 118.4° | 120.2° |
| C74 | C76 | O77 | C78 | 60.9° | 90.0° |
| C74 | C76 | C79 | C70 | 35.1° | 57.0° |
| C74 | C76 | C79 | O80 | 156.8° | 176.8° |
| C76 | C74 | C72 | H75 | 180.0° | 62.4° |
| C74 | C76 | C79 | H84 | 83.0° | 63.0° |
| C76 | C74 | O75 | H92 | 56.4° | 179.7° |
| C32 | C34 | C36 | H29 | 119.8° | 117.7° |
| C32 | C34 | C36 | O37 | 33.6° | 70.5° |
| C32 | C34 | C36 | C44 | 154.8° | 165.1° |
| C32 | C34 | C35 | H30 | 180.0° | 60.9° |
| C32 | C34 | C35 | H31 | 60.0° | 179.1° |
| C32 | C34 | C35 | H32 | 60.0° | 59.1° |
| C32 | C34 | C36 | H33 | 86.8° | 46.7° |
| C41 | C40 | C38 | H34 | 120.2° | 120.0° |
| C41 | C40 | C38 | H35 | 120.2° | 120.0° |
| C40 | C41 | C42 | H36 | 116.5° | 120.0° |
| C41 | C40 | C38 | O37 | 149.3° | 175.4° |
| C41 | C40 | C38 | O39 | 30.9° | 4.7° |
| C41 | C40 | H34 | H35 | 119.5° | 120.0° |
| C40 | C41 | C42 | H37 | 54.0° | 65.0° |
| C40 | C41 | C42 | H38 | 174.0° | 175.0° |
| C40 | C41 | C42 | H39 | 66.0° | 55.0° |
| C40 | C41 | C43 | H40 | 180.0° | 65.0° |
| C40 | C41 | C43 | H41 | 60.0° | 55.0° |
| C40 | C41 | C43 | H42 | 60.0° | 175.1° |
| C38 | C40 | C41 | C42 | 34.1° | 178.2° |
| C40 | C38 | O37 | C36 | 34.3° | 173.4° |
| C40 | C38 | O37 | O39 | 179.8° | 180.0° |
| C38 | C40 | H34 | H35 | 119.5° | 120.0° |
| C38 | C40 | C41 | H36 | 82.8° | 58.2° |
| C42 | C41 | C40 | H34 | 86.1° | 58.2° |
| C42 | C41 | C40 | H35 | 154.3° | 61.8° |
| C41 | C42 | H37 | H38 | 120.0° | 120.0° |
| C41 | C42 | H37 | H39 | 120.0° | 120.0° |
| C41 | C42 | H38 | H39 | 120.0° | 120.0° |
| C42 | C41 | C43 | H40 | 54.8° | 55.1° |
| C42 | C41 | C43 | H41 | 174.8° | 175.0° |
| C42 | C41 | C43 | H42 | 65.3° | 64.9° |
| O71 | C70 | C79 | C76 | 70.5° | 57.6° |
| O71 | C70 | C79 | O69 | 121.1° | 120.0° |
| O71 | C70 | C79 | H74 | 118.2° | 120.0° |
| O71 | C70 | C79 | O80 | 166.9° | 177.5° |
| O71 | C70 | O69 | H74 | 119.6° | 120.0° |
| O71 | C70 | O69 | C68 | 82.8° | 65.0° |
| C70 | O71 | C72 | H75 | 145.0° | 58.8° |
| O71 | C70 | C79 | H84 | 47.9° | 62.3° |
| C34 | C36 | O37 | C44 | 120.8° | 123.2° |
| C34 | C36 | O37 | H33 | 119.4° | 116.0° |
| C34 | C36 | C44 | H33 | 118.7° | 118.6° |
| C34 | C36 | O37 | C38 | 137.8° | 51.6° |
| C34 | C36 | C44 | C45 | 14.1° | 73.1° |
| C34 | C36 | C44 | C46 | 134.6° | 170.2° |
| C36 | C34 | C35 | H30 | 60.0° | 177.3° |
| C36 | C34 | C35 | H31 | 60.1° | 57.4° |
| C36 | C34 | C35 | H32 | 180.0° | 62.6° |
| C34 | C36 | C44 | H43 | 105.1° | 41.7° |
| C13 | C12 | C14 | C11 | 119.5° | 120.8° |
| C13 | C12 | C14 | H2 | 120.4° | 117.0° |
| C13 | C12 | C11 | H2 | 120.3° | 119.5° |
| C13 | C12 | C11 | O10 | 92.9° | 116.0° |
| C13 | C12 | C11 | C64 | 146.1° | 114.7° |
| C13 | C12 | C11 | H1 | 28.2° | 2.6° |
| C12 | C13 | H3 | H4 | 120.0° | 120.1° |
| C12 | C13 | H3 | H5 | 120.0° | 119.9° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C12 | C14 | H6 | 156.9° | 2.0° |
| C13 | C12 | C14 | H7 | 38.7° | 114.5° |
| C79 | C76 | O77 | H80 | 118.1° | 120.2° |
| C79 | C76 | O77 | C78 | 175.6° | 150.4° |
| C76 | C79 | C70 | O80 | 122.6° | 119.9° |
| C76 | C79 | C70 | H84 | 118.4° | 119.9° |
| C76 | C79 | O80 | H84 | 119.8° | 120.1° |
| C76 | C79 | C70 | O69 | 168.4° | 177.6° |
| C76 | C79 | O80 | C81 | 133.4° | 150.0° |
| C76 | C79 | C70 | H74 | 47.8° | 62.4° |
| C79 | C76 | C74 | H79 | 144.4° | 63.0° |
| O77 | C76 | C79 | C70 | 88.3° | 62.9° |
| O77 | C76 | C79 | O80 | 33.4° | 57.0° |
| O77 | C76 | C74 | H79 | 92.9° | 177.1° |
| C76 | O77 | C78 | H81 | 180.0° | 60.1° |
| C76 | O77 | C78 | H82 | 60.0° | 180.0° |
| C76 | O77 | C78 | H83 | 60.0° | 60.0° |
| O77 | C76 | C79 | H84 | 153.6° | 177.2° |
| O37 | C36 | C44 | H33 | 121.2° | 122.0° |
| C36 | O37 | C38 | O39 | 145.9° | 6.6° |
| O37 | C36 | C44 | C45 | 106.0° | 46.3° |
| O37 | C36 | C44 | C46 | 14.5° | 70.5° |
| O37 | C36 | C34 | H29 | 86.2° | 47.2° |
| O37 | C36 | C44 | H43 | 134.8° | 161.1° |
| C44 | C36 | O37 | C38 | 101.5° | 71.6° |
| C36 | C44 | C45 | C46 | 122.5° | 121.8° |
| C36 | C44 | C45 | H43 | 118.9° | 123.0° |
| C36 | C44 | C46 | H43 | 119.8° | 131.5° |
| C36 | C44 | C46 | C66 | 159.7° | 64.1° |
| C36 | C44 | C46 | O47 | 81.5° | 62.8° |
| C44 | C36 | C34 | H29 | 35.0° | 77.2° |
| C36 | C44 | C45 | H44 | 180.0° | 62.2° |
| C36 | C44 | C45 | H45 | 60.0° | 177.9° |
| C36 | C44 | C45 | H46 | 60.0° | 57.8° |
| C36 | C44 | C46 | H47 | 40.4° | 179.0° |
| C14 | C12 | C11 | H2 | 120.0° | 119.3° |
| C14 | C12 | C11 | O10 | 26.8° | 5.2° |
| C14 | C12 | C11 | C64 | 94.2° | 124.1° |
| C14 | C12 | C11 | H1 | 147.9° | 118.6° |
| C14 | C12 | C13 | H3 | 180.0° | 62.5° |
| C14 | C12 | C13 | H4 | 60.0° | 57.6° |
| C14 | C12 | C13 | H5 | 60.0° | 177.6° |
| C12 | C14 | H6 | H7 | 117.3° | 118.2° |
| C07 | C06 | O08 | C05 | 120.5° | 119.9° |
| C07 | C06 | O08 | H18 | 118.5° | 120.0° |
| C07 | C06 | O08 | C09 | 175.3° | 175.4° |
| C07 | C06 | C05 | H18 | 117.9° | 120.0° |
| C07 | C06 | C05 | C04 | 170.9° | 172.3° |
| C07 | C06 | C05 | H16 | 50.2° | 68.1° |
| C07 | C06 | C05 | H17 | 68.5° | 52.6° |
| C06 | C07 | H19 | H20 | 120.0° | 120.0° |
| C06 | C07 | H19 | H21 | 120.0° | 120.0° |
| C06 | C07 | H20 | H21 | 119.9° | 120.0° |
| C78 | O77 | C76 | H80 | 57.5° | 30.2° |
| O77 | C78 | H81 | H82 | 120.0° | 119.9° |
| O77 | C78 | H81 | H83 | 120.0° | 120.0° |
| O77 | C78 | H82 | H83 | 120.0° | 120.0° |
| C38 | O37 | C36 | H33 | 18.4° | 167.6° |
| O37 | C38 | C40 | H34 | 29.1° | 55.3° |
| O37 | C38 | C40 | H35 | 90.5° | 64.6° |
| O39 | C38 | C40 | H34 | 151.0° | 124.7° |
| O39 | C38 | C40 | H35 | 89.3° | 115.3° |
| C12 | C11 | O10 | C64 | 120.9° | 129.0° |
| C12 | C11 | O10 | H1 | 119.7° | 110.5° |
| C12 | C11 | C64 | H1 | 118.1° | 112.6° |
| C12 | C11 | O10 | C09 | 114.8° | 74.3° |
| C12 | C11 | C64 | C52 | 95.8° | 175.6° |
| C12 | C11 | C64 | C65 | 143.4° | 54.5° |
| C11 | C12 | C13 | H3 | 59.8° | 59.9° |
| C11 | C12 | C13 | H4 | 60.2° | 180.0° |
| C11 | C12 | C13 | H5 | 179.8° | 60.0° |
| C11 | C12 | C14 | H6 | 37.5° | 118.8° |
| C11 | C12 | C14 | H7 | 80.8° | 6.3° |
| C12 | C11 | C64 | H64 | 23.4° | 56.5° |
| C70 | C79 | O80 | H84 | 118.3° | 120.2° |
| C79 | C70 | O69 | H74 | 119.4° | 120.1° |
| C79 | C70 | O69 | C68 | 156.1° | 175.0° |
| C70 | C79 | O80 | C81 | 104.7° | 90.4° |
| C70 | C79 | C76 | H80 | 153.4° | 176.9° |
| O80 | C79 | C70 | O69 | 45.8° | 62.5° |
| O80 | C79 | C70 | H74 | 74.9° | 57.5° |
| O80 | C79 | C76 | H80 | 84.9° | 63.2° |
| C79 | O80 | C81 | H85 | 180.0° | 60.0° |
| C79 | O80 | C81 | H86 | 60.0° | 60.0° |
| C79 | O80 | C81 | H87 | 60.0° | 180.0° |
| C70 | O69 | C68 | C66 | 179.0° | 180.0° |
| C70 | O69 | C68 | H72 | 61.0° | 60.0° |
| C70 | O69 | C68 | H73 | 59.0° | 60.0° |
| O69 | C70 | C79 | H84 | 73.2° | 57.7° |
| C45 | C44 | C46 | H43 | 118.5° | 110.3° |
| C45 | C44 | C46 | C66 | 78.6° | 54.0° |
| C45 | C44 | C46 | O47 | 40.2° | 179.1° |
| C45 | C44 | C36 | H33 | 132.8° | 168.2° |
| C44 | C45 | H44 | H45 | 120.0° | 120.0° |
| C44 | C45 | H44 | H46 | 120.0° | 120.0° |
| C44 | C45 | H45 | H46 | 120.0° | 120.1° |
| C45 | C44 | C46 | H47 | 162.1° | 62.8° |
| C44 | C46 | C66 | C68 | 41.4° | 139.1° |
| C44 | C46 | C66 | O47 | 119.2° | 123.4° |
| C44 | C46 | C66 | H47 | 119.7° | 115.3° |
| C44 | C46 | O47 | H47 | 121.3° | 113.8° |
| C44 | C46 | C66 | C67 | 161.4° | 100.9° |
| C44 | C46 | O47 | C48 | 144.5° | 107.1° |
| C46 | C44 | C36 | H33 | 106.7° | 51.5° |
| C46 | C44 | C45 | H44 | 57.5° | 59.6° |
| C46 | C44 | C45 | H45 | 177.5° | 60.3° |
| C46 | C44 | C45 | H46 | 62.5° | 179.6° |
| C44 | C46 | C66 | H68 | 78.2° | 19.2° |
| O08 | C06 | C05 | H18 | 121.6° | 120.0° |
| O08 | C06 | C05 | C04 | 50.4° | 52.3° |
| C06 | O08 | C09 | O10 | 177.2° | 175.3° |
| C06 | O08 | C09 | C82 | 58.4° | 64.6° |
| O08 | C06 | C05 | H16 | 70.3° | 171.9° |
| O08 | C06 | C05 | H17 | 171.0° | 67.4° |
| O08 | C06 | C07 | H19 | 180.0° | 59.9° |
| O08 | C06 | C07 | H20 | 60.0° | 60.2° |
| O08 | C06 | C07 | H21 | 60.0° | 179.8° |
| C06 | O08 | C09 | H22 | 62.1° | 55.3° |
| C09 | O08 | C06 | C05 | 54.8° | 64.7° |
| O08 | C09 | O10 | C11 | 63.7° | 61.9° |
| O08 | C09 | O10 | C82 | 121.2° | 119.9° |
| O08 | C09 | O10 | H22 | 120.5° | 120.1° |
| O08 | C09 | C82 | H22 | 121.4° | 119.9° |
| O08 | C09 | C82 | C04 | 57.8° | 52.2° |
| O08 | C09 | C82 | O83 | 178.1° | 171.9° |
| C09 | O08 | C06 | H18 | 66.2° | 55.3° |
| O08 | C09 | C82 | H88 | 62.4° | 67.4° |
| C06 | C05 | C04 | H16 | 120.7° | 119.7° |
| C06 | C05 | C04 | H17 | 120.6° | 119.7° |
| C06 | C05 | C04 | C82 | 47.3° | 48.7° |
| C06 | C05 | C04 | N03 | 167.6° | 131.6° |
| C06 | C05 | H16 | H17 | 117.9° | 120.8° |
| C05 | C06 | C07 | H19 | 56.8° | 60.0° |
| C05 | C06 | C07 | H20 | 63.3° | 180.0° |
| C05 | C06 | C07 | H21 | 176.8° | 60.0° |
| C05 | C04 | C82 | C09 | 50.7° | 48.7° |
| C05 | C04 | C82 | N03 | 144.8° | 179.7° |
| C05 | C04 | C82 | O83 | 170.4° | 168.4° |
| C05 | C04 | N03 | O02 | 28.4° | 5.1° |
| C04 | C05 | H16 | H17 | 118.0° | 120.6° |
| C04 | C05 | C06 | H18 | 71.3° | 67.7° |
| C05 | C04 | C82 | H88 | 69.6° | 70.9° |
| O69 | C68 | C66 | H72 | 120.0° | 120.0° |
| O69 | C68 | C66 | H73 | 120.0° | 120.1° |
| O69 | C68 | C66 | C46 | 74.3° | 175.0° |
| O69 | C68 | C66 | C67 | 45.8° | 65.0° |
| O69 | C68 | C66 | H68 | 166.2° | 55.0° |
| O69 | C68 | H72 | H73 | 120.1° | 120.0° |
| C68 | O69 | C70 | H74 | 36.8° | 54.9° |
| C62 | C61 | O63 | C59 | 119.9° | 119.9° |
| C62 | C61 | O63 | H60 | 119.0° | 120.1° |
| C62 | C61 | C59 | H60 | 119.0° | 120.0° |
| C62 | C61 | O63 | C54 | 174.7° | 178.9° |
| C62 | C61 | C59 | O60 | 69.4° | 62.5° |
| C62 | C61 | C59 | C56 | 170.6° | 177.6° |
| C62 | C61 | C59 | H59 | 49.2° | 57.6° |
| C61 | C62 | H61 | H62 | 120.0° | 120.0° |
| C61 | C62 | H61 | H63 | 120.0° | 120.0° |
| C61 | C62 | H62 | H63 | 120.0° | 120.0° |
| C81 | O80 | C79 | H84 | 13.6° | 29.8° |
| O80 | C81 | H85 | H86 | 120.0° | 120.1° |
| O80 | C81 | H85 | H87 | 120.0° | 120.0° |
| O80 | C81 | H86 | H87 | 120.0° | 120.0° |
| O10 | C11 | C64 | H1 | 121.0° | 118.7° |
| C11 | O10 | C09 | C82 | 175.1° | 178.2° |
| O10 | C11 | C64 | C52 | 143.3° | 55.6° |
| O10 | C11 | C64 | C65 | 22.4° | 74.3° |
| O10 | C11 | C12 | H2 | 146.8° | 124.5° |
| C11 | O10 | C09 | H22 | 56.8° | 58.2° |
| O10 | C11 | C64 | H64 | 97.6° | 174.7° |
| C64 | C11 | O10 | C09 | 124.3° | 156.6° |
| C11 | C64 | C52 | C65 | 122.1° | 127.7° |
| C11 | C64 | C52 | H64 | 118.9° | 115.8° |
| C11 | C64 | C65 | H64 | 119.5° | 112.4° |
| C11 | C64 | C52 | O53 | 64.4° | 19.9° |
| C11 | C64 | C52 | C50 | 173.7° | 107.6° |
| C64 | C11 | C12 | H2 | 25.8° | 4.8° |
| C11 | C64 | C52 | H52 | 55.8° | 131.9° |
| C11 | C64 | C65 | H65 | 180.0° | 60.0° |
| C11 | C64 | C65 | H66 | 60.0° | 180.0° |
| C11 | C64 | C65 | H67 | 60.0° | 60.0° |
| C68 | C66 | C46 | C67 | 120.0° | 120.0° |
| C68 | C66 | C46 | H68 | 119.6° | 119.9° |
| C68 | C66 | C46 | O47 | 160.6° | 97.5° |
| C68 | C66 | C67 | H68 | 120.0° | 120.0° |
| C68 | C66 | C46 | H47 | 78.3° | 23.9° |
| C68 | C66 | C67 | H69 | 180.0° | 61.8° |
| C68 | C66 | C67 | H70 | 60.0° | 178.2° |
| C68 | C66 | C67 | H71 | 60.0° | 58.2° |
| C66 | C68 | H72 | H73 | 120.0° | 120.0° |
| O10 | C09 | C82 | H22 | 119.4° | 120.0° |
| O10 | C09 | C82 | C04 | 177.0° | 172.3° |
| O10 | C09 | C82 | O83 | 62.7° | 68.0° |
| C09 | O10 | C11 | H1 | 4.9° | 36.1° |
| O10 | C09 | C82 | H88 | 56.8° | 52.7° |
| C66 | C46 | O47 | H47 | 120.0° | 120.8° |
| C46 | C66 | C67 | H68 | 119.9° | 120.0° |
| C66 | C46 | O47 | C48 | 96.8° | 18.3° |
| C66 | C46 | C44 | H43 | 39.8° | 164.4° |
| C46 | C66 | C67 | H69 | 59.8° | 178.2° |
| C46 | C66 | C67 | H70 | 60.2° | 58.2° |
| C46 | C66 | C67 | H71 | 179.8° | 61.8° |
| C46 | C66 | C68 | H72 | 165.7° | 65.0° |
| C46 | C66 | C68 | H73 | 45.7° | 54.9° |
| O47 | C46 | C66 | C67 | 79.4° | 22.5° |
| C46 | O47 | C48 | O49 | 7.4° | 18.5° |
| C46 | O47 | C48 | C50 | 172.4° | 158.1° |
| O47 | C46 | C44 | H43 | 158.6° | 68.7° |
| O47 | C46 | C66 | H68 | 41.0° | 142.6° |
| C09 | C82 | C04 | O83 | 119.6° | 119.7° |
| C09 | C82 | C04 | H88 | 120.3° | 119.6° |
| C09 | C82 | O83 | H88 | 118.5° | 120.7° |
| C09 | C82 | C04 | N03 | 164.5° | 131.6° |
| C09 | C82 | O83 | H93 | 180.0° | 180.0° |
| C04 | C82 | O83 | H88 | 119.0° | 120.6° |
| C82 | C04 | N03 | O02 | 169.2° | 174.7° |
| C82 | C04 | C05 | H16 | 73.3° | 168.4° |
| C82 | C04 | C05 | H17 | 168.0° | 71.0° |
| C04 | C82 | C09 | H22 | 63.6° | 67.7° |
| C04 | C82 | O83 | H93 | 57.5° | 61.3° |
| O83 | C82 | C04 | N03 | 44.8° | 11.9° |
| O83 | C82 | C09 | H22 | 56.7° | 52.0° |
| C04 | N03 | O02 | C01 | 51.4° | 180.0° |
| N03 | C04 | C05 | H16 | 71.7° | 11.9° |
| N03 | C04 | C05 | H17 | 47.0° | 108.7° |
| N03 | C04 | C82 | H88 | 75.2° | 108.8° |
| O63 | C61 | C59 | H60 | 121.3° | 120.0° |
| O63 | C61 | C59 | O60 | 170.9° | 177.6° |
| O63 | C61 | C59 | C56 | 50.9° | 57.6° |
| C61 | O63 | C54 | O53 | 66.8° | 58.8° |
| C61 | O63 | C54 | C55 | 55.1° | 61.2° |
| C61 | O63 | C54 | H53 | 174.0° | 178.9° |
| O63 | C61 | C59 | H59 | 70.4° | 62.3° |
| O63 | C61 | C62 | H61 | 180.0° | 60.0° |
| O63 | C61 | C62 | H62 | 60.0° | 180.0° |
| O63 | C61 | C62 | H63 | 60.0° | 60.0° |
| C59 | C61 | O63 | C54 | 54.8° | 61.2° |
| C61 | C59 | O60 | C56 | 122.9° | 119.7° |
| C61 | C59 | O60 | H59 | 118.1° | 120.2° |
| C61 | C59 | C56 | H59 | 121.0° | 119.9° |
| C61 | C59 | C56 | O58 | 72.6° | 62.8° |
| C61 | C59 | C56 | C55 | 47.8° | 57.0° |
| C61 | C59 | C56 | C57 | 168.4° | 176.9° |
| C59 | C61 | C62 | H61 | 57.9° | 59.9° |
| C59 | C61 | C62 | H62 | 177.9° | 60.1° |
| C59 | C61 | C62 | H63 | 62.1° | 179.9° |
| C61 | C59 | O60 | H91 | 180.0° | 60.3° |
| C67 | C66 | C46 | H47 | 41.7° | 143.9° |
| C66 | C67 | H69 | H70 | 120.0° | 120.0° |
| C66 | C67 | H69 | H71 | 120.0° | 120.1° |
| C66 | C67 | H70 | H71 | 120.0° | 120.0° |
| C67 | C66 | C68 | H72 | 74.2° | 55.0° |
| C67 | C66 | C68 | H73 | 165.8° | 175.0° |
| N03 | O02 | C01 | H13 | 180.0° | 180.0° |
| N03 | O02 | C01 | H14 | 60.0° | 59.9° |
| N03 | O02 | C01 | H15 | 60.0° | 60.0° |
| O02 | C01 | H13 | H14 | 120.0° | 120.0° |
| O02 | C01 | H13 | H15 | 120.0° | 120.0° |
| O02 | C01 | H14 | H15 | 120.0° | 120.0° |
| O47 | C48 | C50 | C52 | 93.2° | 116.9° |
| O47 | C48 | O49 | C50 | 179.8° | 176.9° |
| O47 | C48 | C50 | C51 | 145.1° | 10.0° |
| C48 | O47 | C46 | H47 | 23.2° | 139.1° |
| O47 | C48 | C50 | H48 | 26.0° | 117.6° |
| C52 | C64 | C65 | H64 | 118.8° | 120.7° |
| C64 | C52 | O53 | C50 | 120.6° | 134.5° |
| C64 | C52 | O53 | H52 | 119.5° | 117.3° |
| C64 | C52 | C50 | H52 | 117.9° | 123.3° |
| C64 | C52 | C50 | C48 | 98.4° | 40.4° |
| C64 | C52 | O53 | C54 | 154.1° | 134.2° |
| C64 | C52 | C50 | C51 | 141.3° | 83.7° |
| C52 | C64 | C11 | H1 | 22.3° | 63.0° |
| C64 | C52 | C50 | H48 | 20.5° | 163.0° |
| C52 | C64 | C65 | H65 | 58.3° | 66.9° |
| C52 | C64 | C65 | H66 | 178.3° | 53.1° |
| C52 | C64 | C65 | H67 | 61.7° | 173.1° |
| C65 | C64 | C52 | O53 | 57.8° | 147.6° |
| C65 | C64 | C52 | C50 | 64.1° | 20.1° |
| C65 | C64 | C11 | H1 | 98.6° | 167.0° |
| C65 | C64 | C52 | H52 | 177.9° | 100.4° |
| C64 | C65 | H65 | H66 | 120.0° | 120.0° |
| C64 | C65 | H65 | H67 | 120.0° | 120.0° |
| C64 | C65 | H66 | H67 | 120.0° | 120.0° |
| O63 | C54 | O53 | C52 | 79.2° | 71.2° |
| O63 | C54 | O53 | C55 | 123.1° | 120.0° |
| O63 | C54 | O53 | H53 | 118.7° | 120.0° |
| O63 | C54 | C55 | H53 | 119.3° | 119.9° |
| O63 | C54 | C55 | C56 | 52.1° | 57.6° |
| O63 | C54 | C55 | H54 | 68.4° | 62.2° |
| O63 | C54 | C55 | H55 | 172.6° | 177.6° |
| C54 | O63 | C61 | H60 | 66.4° | 58.8° |
| O53 | C52 | C50 | H52 | 120.6° | 106.1° |
| O53 | C52 | C50 | C48 | 140.1° | 90.3° |
| C52 | O53 | C54 | C55 | 157.7° | 168.8° |
| O53 | C52 | C50 | C51 | 19.8° | 145.7° |
| O53 | C52 | C50 | H48 | 101.0° | 32.4° |
| C52 | O53 | C54 | H53 | 39.6° | 48.8° |
| O53 | C52 | C64 | H64 | 176.8° | 95.9° |
| C52 | C50 | C48 | O49 | 86.6° | 66.3° |
| C52 | C50 | C48 | C51 | 121.7° | 126.9° |
| C52 | C50 | C48 | H48 | 119.2° | 125.5° |
| C50 | C52 | O53 | C54 | 85.3° | 91.3° |
| C52 | C50 | C51 | H48 | 120.9° | 120.5° |
| C52 | C50 | C51 | H49 | 180.0° | 172.5° |
| C52 | C50 | C51 | H50 | 60.0° | 52.6° |
| C52 | C50 | C51 | H51 | 60.0° | 67.4° |
| C50 | C52 | C64 | H64 | 54.8° | 136.6° |
| O49 | C48 | C50 | C51 | 35.1° | 166.8° |
| O49 | C48 | C50 | H48 | 154.2° | 59.3° |
| C48 | C50 | C51 | H48 | 118.9° | 112.1° |
| C48 | C50 | C51 | H49 | 59.7° | 60.1° |
| C48 | C50 | C51 | H50 | 179.8° | 180.0° |
| C48 | C50 | C51 | H51 | 60.2° | 60.0° |
| C48 | C50 | C52 | H52 | 19.5° | 163.7° |
| O60 | C59 | C56 | H59 | 119.1° | 120.1° |
| O60 | C59 | C56 | O58 | 47.3° | 57.1° |
| O60 | C59 | C56 | C55 | 167.7° | 176.9° |
| O60 | C59 | C56 | C57 | 71.7° | 63.1° |
| O60 | C59 | C61 | H60 | 49.6° | 57.5° |
| C59 | C56 | C55 | C54 | 48.3° | 57.0° |
| C59 | C56 | O58 | C55 | 123.6° | 119.5° |
| C59 | C56 | O58 | C57 | 118.2° | 120.3° |
| C59 | C56 | C55 | C57 | 120.3° | 120.0° |
| C59 | C56 | C55 | H54 | 72.2° | 62.9° |
| C59 | C56 | C55 | H55 | 168.8° | 176.9° |
| C59 | C56 | C57 | H56 | 180.0° | 60.2° |
| C59 | C56 | C57 | H57 | 60.0° | 59.7° |
| C59 | C56 | C57 | H58 | 60.0° | 179.8° |
| C56 | C59 | C61 | H60 | 70.4° | 62.4° |
| C59 | C56 | O58 | H90 | 180.0° | 174.6° |
| C56 | C59 | O60 | H91 | 57.1° | 180.0° |
| O53 | C54 | C55 | H53 | 119.1° | 120.1° |
| O53 | C54 | C55 | C56 | 69.5° | 62.4° |
| C54 | O53 | C52 | H52 | 34.7° | 16.9° |
| O53 | C54 | C55 | H54 | 170.0° | 177.7° |
| O53 | C54 | C55 | H55 | 51.0° | 57.6° |
| C54 | C55 | C56 | O58 | 72.6° | 62.9° |
| C54 | C55 | C56 | H54 | 120.5° | 119.9° |
| C54 | C55 | C56 | H55 | 120.5° | 120.0° |
| C54 | C55 | C56 | C57 | 168.6° | 176.9° |
| C54 | C55 | H54 | H55 | 118.4° | 120.2° |
| C50 | C51 | H49 | H50 | 120.0° | 120.0° |
| C50 | C51 | H49 | H51 | 120.0° | 120.0° |
| C50 | C51 | H50 | H51 | 120.0° | 120.0° |
| C51 | C50 | C52 | H52 | 100.8° | 39.6° |
| O58 | C56 | C55 | C57 | 118.8° | 120.2° |
| O58 | C56 | C55 | H54 | 166.9° | 177.3° |
| O58 | C56 | C55 | H55 | 47.9° | 57.1° |
| O58 | C56 | C57 | H56 | 61.4° | 60.0° |
| O58 | C56 | C57 | H57 | 58.6° | 180.0° |
| O58 | C56 | C57 | H58 | 178.6° | 60.0° |
| O58 | C56 | C59 | H59 | 166.4° | 177.2° |
| C56 | C55 | C54 | H53 | 171.4° | 177.6° |
| C56 | C55 | H54 | H55 | 118.4° | 120.1° |
| C55 | C56 | C57 | H56 | 56.5° | 179.8° |
| C55 | C56 | C57 | H57 | 176.5° | 59.9° |
| C55 | C56 | C57 | H58 | 63.5° | 60.2° |
| C55 | C56 | C59 | H59 | 73.2° | 63.0° |
| C55 | C56 | O58 | H90 | 56.4° | 55.1° |
| C57 | C56 | C55 | H54 | 48.1° | 57.0° |
| C57 | C56 | C55 | H55 | 70.9° | 63.1° |
| C56 | C57 | H56 | H57 | 120.0° | 120.0° |
| C56 | C57 | H56 | H58 | 120.0° | 120.0° |
| C56 | C57 | H57 | H58 | 120.0° | 120.0° |
| C57 | C56 | C59 | H59 | 47.4° | 57.0° |
| C57 | C56 | O58 | H90 | 61.9° | 65.1° |
| H1 | C11 | C12 | H2 | 92.1° | 122.1° |
| H1 | C11 | C64 | H64 | 141.4° | 56.0° |
| H2 | C12 | C13 | H3 | 60.2° | 178.5° |
| H2 | C12 | C13 | H4 | 179.8° | 58.4° |
| H2 | C12 | C13 | H5 | 59.8° | 61.6° |
| H2 | C12 | C14 | H6 | 82.7° | 119.0° |
| H2 | C12 | C14 | H7 | 159.0° | 128.5° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H8 | C16 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | C22 | H23 | 100.6° | 60.0° |
| H11 | C21 | C22 | H24 | 19.3° | 180.0° |
| H11 | C21 | N20 | H89 | 43.9° | 120.0° |
| H12 | C21 | C22 | H23 | 139.6° | 180.0° |
| H12 | C21 | C22 | H24 | 100.5° | 60.0° |
| H12 | C21 | N20 | H89 | 163.7° | 120.0° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C05 | C06 | H18 | 168.1° | 51.9° |
| H17 | C05 | C06 | H18 | 49.4° | 172.6° |
| H18 | C06 | C07 | H19 | 60.9° | 180.0° |
| H18 | C06 | C07 | H20 | 179.0° | 59.9° |
| H18 | C06 | C07 | H21 | 59.0° | 60.1° |
| H19 | C07 | H20 | H21 | 120.1° | 120.0° |
| H22 | C09 | C82 | H88 | 176.2° | 172.7° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H29 | C34 | C35 | H30 | 60.1° | 63.5° |
| H29 | C34 | C35 | H31 | 179.8° | 56.5° |
| H29 | C34 | C35 | H32 | 59.9° | 176.4° |
| H29 | C34 | C36 | H33 | 153.4° | 164.4° |
| H30 | C35 | H31 | H32 | 120.0° | 119.9° |
| H33 | C36 | C44 | H43 | 13.6° | 77.0° |
| H34 | C40 | C41 | H36 | 157.0° | 61.8° |
| H35 | C40 | C41 | H36 | 37.4° | 178.2° |
| H36 | C41 | C42 | H37 | 62.5° | 175.0° |
| H36 | C41 | C42 | H38 | 57.5° | 55.0° |
| H36 | C41 | C42 | H39 | 177.5° | 65.0° |
| H36 | C41 | C43 | H40 | 63.0° | 175.1° |
| H36 | C41 | C43 | H41 | 57.0° | 64.9° |
| H36 | C41 | C43 | H42 | 177.0° | 55.1° |
| H37 | C42 | H38 | H39 | 120.0° | 119.9° |
| H40 | C43 | H41 | H42 | 120.0° | 120.0° |
| H43 | C44 | C45 | H44 | 61.1° | 174.8° |
| H43 | C44 | C45 | H45 | 58.9° | 54.8° |
| H43 | C44 | C45 | H46 | 178.8° | 65.3° |
| H43 | C44 | C46 | H47 | 79.4° | 47.5° |
| H44 | C45 | H45 | H46 | 120.0° | 120.0° |
| H47 | C46 | C66 | H68 | 162.1° | 96.1° |
| H48 | C50 | C51 | H49 | 59.1° | 52.1° |
| H48 | C50 | C51 | H50 | 60.9° | 67.9° |
| H48 | C50 | C51 | H51 | 179.1° | 172.1° |
| H48 | C50 | C52 | H52 | 138.3° | 73.7° |
| H49 | C51 | H50 | H51 | 120.0° | 120.0° |
| H52 | C52 | C64 | H64 | 63.1° | 16.1° |
| H53 | C54 | C55 | H54 | 50.9° | 57.7° |
| H53 | C54 | C55 | H55 | 68.1° | 62.5° |
| H56 | C57 | H57 | H58 | 120.0° | 120.0° |
| H59 | C59 | C61 | H60 | 168.3° | 177.7° |
| H59 | C59 | O60 | H91 | 61.9° | 59.8° |
| H60 | C61 | C62 | H61 | 61.0° | 179.9° |
| H60 | C61 | C62 | H62 | 59.0° | 59.9° |
| H60 | C61 | C62 | H63 | 179.0° | 60.1° |
| H61 | C62 | H62 | H63 | 120.0° | 120.0° |
| H64 | C64 | C65 | H65 | 60.4° | 172.4° |
| H64 | C64 | C65 | H66 | 59.6° | 67.6° |
| H64 | C64 | C65 | H67 | 179.5° | 52.4° |
| H65 | C65 | H66 | H67 | 120.0° | 120.0° |
| H68 | C66 | C67 | H69 | 60.0° | 58.1° |
| H68 | C66 | C67 | H70 | 179.9° | 61.9° |
| H68 | C66 | C67 | H71 | 60.0° | 178.2° |
| H68 | C66 | C68 | H72 | 46.2° | 175.0° |
| H68 | C66 | C68 | H73 | 73.8° | 65.0° |
| H69 | C67 | H70 | H71 | 120.0° | 120.0° |
| H74 | C70 | C79 | H84 | 166.2° | 177.7° |
| H75 | C72 | C73 | H76 | 62.4° | 180.0° |
| H75 | C72 | C73 | H77 | 57.6° | 59.9° |
| H75 | C72 | C73 | H78 | 177.6° | 60.0° |
| H75 | C72 | C74 | H79 | 60.9° | 177.7° |
| H76 | C73 | H77 | H78 | 120.0° | 120.1° |
| H79 | C74 | C76 | H80 | 26.0° | 56.9° |
| H79 | C74 | O75 | H92 | 63.1° | 60.2° |
| H80 | C76 | C79 | H84 | 35.3° | 57.0° |
| H81 | C78 | H82 | H83 | 120.0° | 120.1° |
| H85 | C81 | H86 | H87 | 120.0° | 119.9° |
| H88 | C82 | O83 | H93 | 61.5° | 59.3° |
