SMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C41 | sing | 1.53Å | 1.55Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| C46 | C47 | sing | 1.53Å | 1.56Å | |
| C47 | C48 | sing | 1.51Å | 1.56Å | |
| C48 | C49 | doub | 1.31Å | 1.35Å | |
| C49 | C50 | sing | 1.51Å | 1.55Å | |
| C50 | C51 | sing | 1.53Å | 1.56Å | |
| C51 | C52 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C33 | C34 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C53 | C52 | sing | 1.53Å | 1.56Å | |
| C53 | C54 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C28 | C29 | doub | 1.31Å | 1.34Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| O58 | C57 | doub | 1.21Å | 1.19Å | |
| C29 | C30 | sing | 1.51Å | 1.55Å | |
| C55 | C54 | sing | 1.53Å | 1.55Å | |
| C55 | C56 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C36 | C37 | sing | 1.51Å | 1.56Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C57 | C56 | sing | 1.51Å | 1.55Å | |
| C57 | O59 | sing | 1.34Å | 1.43Å | |
| O15 | P16 | doub | 1.48Å | 1.52Å | |
| C37 | O19 | doub | 1.21Å | 1.19Å | |
| C37 | O38 | sing | 1.34Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| O59 | C39 | sing | 1.45Å | 1.40Å | |
| C18 | O38 | sing | 1.45Å | 1.43Å | |
| C18 | C39 | sing | 1.53Å | 1.54Å | |
| O63 | P16 | sing | 1.61Å | 1.68Å | |
| O63 | P62 | sing | 1.72Å | 1.68Å | |
| O61 | P62 | sing | 1.72Å | 1.69Å | |
| O61 | C60 | sing | 1.43Å | 1.44Å | |
| P16 | O66 | sing | 1.61Å | 1.67Å | |
| P16 | O65 | sing | 1.61Å | 1.51Å | |
| O64 | P62 | sing | 1.72Å | 1.66Å | |
| C72 | O66 | sing | 1.43Å | 1.43Å | |
| C72 | C71 | sing | 1.53Å | 1.58Å | |
| C39 | C60 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| P62 | O75 | sing | 1.72Å | 1.67Å | |
| P62 | O17 | sing | 1.72Å | 1.46Å | |
| C71 | O69 | sing | 1.44Å | 1.56Å | |
| C71 | C70 | sing | 1.54Å | 1.27Å | |
| O69 | C67 | sing | 1.44Å | 1.56Å | |
| O74 | C70 | sing | 1.43Å | 1.46Å | |
| O73 | C68 | sing | 1.43Å | 1.46Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| O75 | C01 | sing | 1.43Å | 1.42Å | |
| C70 | C68 | sing | 1.55Å | 1.66Å | |
| C67 | C68 | sing | 1.55Å | 1.28Å | |
| C67 | N12 | sing | 1.47Å | 1.50Å | |
| C01 | C03 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| N12 | C10 | sing | 1.36Å | 1.46Å | |
| N12 | C14 | sing | 1.35Å | 1.50Å | |
| C03 | C05 | sing | 1.51Å | 1.53Å | |
| C03 | N04 | sing | 1.47Å | 1.45Å | |
| O08 | C14 | doub | 1.22Å | 1.19Å | |
| C10 | C09 | doub | 1.35Å | 1.50Å | |
| C14 | N13 | sing | 1.33Å | 1.49Å | |
| C05 | O06 | doub | 1.21Å | 1.26Å | |
| C05 | O02 | sing | 1.34Å | 1.26Å | |
| C09 | C11 | sing | 1.41Å | 1.49Å | |
| N13 | C11 | doub | 1.33Å | 1.45Å | |
| C11 | N07 | sing | 1.38Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.08Å | 1.08Å | |
| C49 | H60 | sing | 1.08Å | 1.08Å | |
| C50 | H61 | sing | 1.09Å | 1.10Å | |
| C50 | H62 | sing | 1.09Å | 1.10Å | |
| C51 | H63 | sing | 1.09Å | 1.10Å | |
| C51 | H64 | sing | 1.09Å | 1.10Å | |
| C52 | H65 | sing | 1.09Å | 1.10Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C53 | H67 | sing | 1.09Å | 1.10Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| C54 | H69 | sing | 1.09Å | 1.10Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C55 | H71 | sing | 1.09Å | 1.10Å | |
| C55 | H72 | sing | 1.09Å | 1.10Å | |
| C56 | H73 | sing | 1.09Å | 1.10Å | |
| C56 | H74 | sing | 1.09Å | 1.10Å | |
| C60 | H75 | sing | 1.09Å | 1.10Å | |
| C60 | H76 | sing | 1.09Å | 1.10Å | |
| C67 | H77 | sing | 1.09Å | 1.10Å | |
| C68 | H78 | sing | 1.09Å | 1.10Å | |
| C70 | H79 | sing | 1.09Å | 1.10Å | |
| C71 | H80 | sing | 1.09Å | 1.10Å | |
| C72 | H81 | sing | 1.09Å | 1.10Å | |
| C72 | H82 | sing | 1.09Å | 1.10Å | |
| N04 | H83 | sing | 1.01Å | 1.00Å | |
| N04 | H84 | sing | 1.01Å | 1.00Å | |
| N07 | H86 | sing | 0.97Å | 1.00Å | |
| N07 | H87 | sing | 0.97Å | 1.00Å | |
| O02 | H88 | sing | 0.97Å | 0.95Å | |
| O17 | H89 | sing | 0.97Å | 0.95Å | |
| O64 | H90 | sing | 0.97Å | 0.95Å | |
| O65 | H91 | sing | 0.97Å | 0.95Å | |
| O73 | H92 | sing | 0.97Å | 0.95Å | |
| O74 | H93 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C42 | C43 | 109.1° | 109.5° |
| C42 | C41 | C40 | 109.5° | 109.5° |
| C42 | C41 | H45 | 109.5° | 109.5° |
| C42 | C41 | H46 | 109.4° | 109.4° |
| C41 | C42 | H47 | 109.6° | 109.5° |
| C41 | C42 | H48 | 109.6° | 109.5° |
| C42 | C43 | C44 | 109.8° | 109.5° |
| C43 | C42 | H47 | 109.6° | 109.4° |
| C43 | C42 | H48 | 109.6° | 109.5° |
| C42 | C43 | H49 | 109.4° | 109.5° |
| C42 | C43 | H50 | 109.4° | 109.5° |
| C41 | C40 | H42 | 109.5° | 109.5° |
| C41 | C40 | H43 | 109.5° | 109.4° |
| C41 | C40 | H44 | 109.5° | 109.5° |
| C40 | C41 | H45 | 109.5° | 109.5° |
| C40 | C41 | H46 | 109.5° | 109.5° |
| C43 | C44 | C45 | 109.2° | 109.5° |
| C44 | C43 | H49 | 109.4° | 109.5° |
| C44 | C43 | H50 | 109.4° | 109.4° |
| C43 | C44 | H51 | 109.5° | 109.5° |
| C43 | C44 | H52 | 109.5° | 109.5° |
| C44 | C45 | C46 | 109.4° | 109.5° |
| C45 | C44 | H51 | 109.5° | 109.5° |
| C45 | C44 | H52 | 109.6° | 109.5° |
| C44 | C45 | H53 | 109.5° | 109.4° |
| C44 | C45 | H54 | 109.5° | 109.4° |
| C45 | C46 | C47 | 110.0° | 109.4° |
| C46 | C45 | H53 | 109.5° | 109.5° |
| C46 | C45 | H54 | 109.5° | 109.5° |
| C45 | C46 | H55 | 109.3° | 109.5° |
| C45 | C46 | H56 | 109.3° | 109.5° |
| C46 | C47 | C48 | 109.7° | 109.5° |
| C47 | C46 | H55 | 109.3° | 109.4° |
| C47 | C46 | H56 | 109.3° | 109.4° |
| C46 | C47 | H57 | 109.4° | 109.5° |
| C46 | C47 | H58 | 109.4° | 109.5° |
| C47 | C48 | C49 | 120.5° | 120.0° |
| C48 | C47 | H57 | 109.4° | 109.4° |
| C48 | C47 | H58 | 109.4° | 109.4° |
| C47 | C48 | H59 | 119.8° | 120.0° |
| C48 | C49 | C50 | 120.6° | 120.0° |
| C49 | C48 | H59 | 119.8° | 120.0° |
| C48 | C49 | H60 | 119.7° | 120.1° |
| C49 | C50 | C51 | 109.8° | 109.5° |
| C50 | C49 | H60 | 119.7° | 120.0° |
| C49 | C50 | H61 | 109.4° | 109.5° |
| C49 | C50 | H62 | 109.4° | 109.5° |
| C50 | C51 | C52 | 109.8° | 109.5° |
| C51 | C50 | H61 | 109.4° | 109.4° |
| C51 | C50 | H62 | 109.4° | 109.5° |
| C50 | C51 | H63 | 109.4° | 109.4° |
| C50 | C51 | H64 | 109.4° | 109.5° |
| C51 | C52 | C53 | 109.6° | 109.5° |
| C52 | C51 | H63 | 109.4° | 109.5° |
| C52 | C51 | H64 | 109.4° | 109.4° |
| C51 | C52 | H65 | 109.4° | 109.5° |
| C51 | C52 | H66 | 109.4° | 109.4° |
| C32 | C33 | C34 | 109.1° | 109.5° |
| C33 | C32 | C31 | 109.4° | 109.5° |
| C33 | C32 | H31 | 109.5° | 109.5° |
| C33 | C32 | H32 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.6° | 109.5° |
| C32 | C33 | H34 | 109.6° | 109.5° |
| C33 | C34 | C35 | 109.6° | 109.5° |
| C34 | C33 | H33 | 109.6° | 109.4° |
| C34 | C33 | H34 | 109.5° | 109.4° |
| C33 | C34 | H35 | 109.4° | 109.4° |
| C33 | C34 | H36 | 109.4° | 109.5° |
| C32 | C31 | C30 | 109.9° | 109.5° |
| C32 | C31 | H29 | 109.4° | 109.4° |
| C32 | C31 | H30 | 109.4° | 109.5° |
| C31 | C32 | H31 | 109.5° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C34 | C35 | C36 | 108.8° | 109.4° |
| C35 | C34 | H35 | 109.4° | 109.5° |
| C35 | C34 | H36 | 109.4° | 109.5° |
| C34 | C35 | H37 | 109.7° | 109.5° |
| C34 | C35 | H38 | 109.6° | 109.5° |
| C52 | C53 | C54 | 110.0° | 109.5° |
| C53 | C52 | H65 | 109.5° | 109.5° |
| C53 | C52 | H66 | 109.5° | 109.5° |
| C52 | C53 | H67 | 109.3° | 109.5° |
| C52 | C53 | H68 | 109.3° | 109.5° |
| C53 | C54 | C55 | 109.5° | 109.5° |
| C54 | C53 | H67 | 109.3° | 109.5° |
| C54 | C53 | H68 | 109.3° | 109.5° |
| C53 | C54 | H69 | 109.5° | 109.5° |
| C53 | C54 | H70 | 109.5° | 109.5° |
| C27 | C28 | C29 | 120.8° | 120.0° |
| C28 | C27 | C26 | 109.5° | 109.5° |
| C27 | C28 | H13 | 119.6° | 120.0° |
| C28 | C27 | H24 | 109.5° | 109.5° |
| C28 | C27 | H25 | 109.4° | 109.5° |
| C28 | C29 | C30 | 120.4° | 120.0° |
| C29 | C28 | H13 | 119.6° | 120.0° |
| C28 | C29 | H26 | 119.8° | 119.9° |
| C27 | C26 | C25 | 109.7° | 109.4° |
| C27 | C26 | H11 | 109.4° | 109.4° |
| C27 | C26 | H12 | 109.4° | 109.5° |
| C26 | C27 | H24 | 109.5° | 109.4° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| O58 | C57 | C56 | 119.3° | 120.0° |
| O58 | C57 | O59 | 120.0° | 120.0° |
| C29 | C30 | C31 | 109.7° | 109.4° |
| C30 | C29 | H26 | 119.8° | 120.1° |
| C29 | C30 | H27 | 109.4° | 109.5° |
| C29 | C30 | H28 | 109.4° | 109.5° |
| C54 | C55 | C56 | 110.1° | 109.5° |
| C55 | C54 | H69 | 109.5° | 109.5° |
| C55 | C54 | H70 | 109.5° | 109.4° |
| C54 | C55 | H71 | 109.3° | 109.5° |
| C54 | C55 | H72 | 109.3° | 109.5° |
| C55 | C56 | C57 | 109.1° | 109.4° |
| C56 | C55 | H71 | 109.3° | 109.5° |
| C56 | C55 | H72 | 109.3° | 109.5° |
| C55 | C56 | H73 | 109.5° | 109.5° |
| C55 | C56 | H74 | 109.6° | 109.5° |
| C35 | C36 | C37 | 109.9° | 109.5° |
| C36 | C35 | H37 | 109.6° | 109.5° |
| C36 | C35 | H38 | 109.6° | 109.5° |
| C35 | C36 | H39 | 109.4° | 109.4° |
| C35 | C36 | H40 | 109.4° | 109.5° |
| C36 | C37 | O19 | 120.2° | 120.0° |
| C36 | C37 | O38 | 119.6° | 120.0° |
| C37 | C36 | H39 | 109.4° | 109.5° |
| C37 | C36 | H40 | 109.4° | 109.5° |
| C31 | C30 | H27 | 109.4° | 109.4° |
| C31 | C30 | H28 | 109.4° | 109.5° |
| C30 | C31 | H29 | 109.4° | 109.4° |
| C30 | C31 | H30 | 109.3° | 109.5° |
| C26 | C25 | C24 | 109.7° | 109.4° |
| C25 | C26 | H11 | 109.4° | 109.5° |
| C25 | C26 | H12 | 109.4° | 109.5° |
| C26 | C25 | H22 | 109.4° | 109.5° |
| C26 | C25 | H23 | 109.4° | 109.5° |
| C56 | C57 | O59 | 120.7° | 120.0° |
| C57 | C56 | H73 | 109.6° | 109.5° |
| C57 | C56 | H74 | 109.5° | 109.4° |
| C57 | O59 | C39 | 116.7° | 117.0° |
| O15 | P16 | O63 | 109.4° | 109.5° |
| O15 | P16 | O66 | 109.2° | 109.4° |
| O15 | P16 | O65 | 109.3° | 109.5° |
| O19 | C37 | O38 | 120.3° | 120.0° |
| C37 | O38 | C18 | 113.2° | 117.0° |
| C25 | C24 | C23 | 109.2° | 109.4° |
| C25 | C24 | H9 | 109.6° | 109.5° |
| C25 | C24 | H10 | 109.5° | 109.5° |
| C24 | C25 | H22 | 109.4° | 109.5° |
| C24 | C25 | H23 | 109.4° | 109.5° |
| O59 | C39 | C18 | 111.5° | 109.5° |
| O59 | C39 | C60 | 110.1° | 109.5° |
| O59 | C39 | H41 | 110.2° | 109.5° |
| O38 | C18 | C39 | 109.8° | 109.5° |
| O38 | C18 | H18 | 109.4° | 109.5° |
| O38 | C18 | H19 | 109.4° | 109.5° |
| C18 | C39 | C60 | 108.5° | 109.5° |
| C39 | C18 | H18 | 109.4° | 109.5° |
| C39 | C18 | H19 | 109.4° | 109.5° |
| C18 | C39 | H41 | 108.3° | 109.4° |
| P16 | O63 | P62 | 124.9° | 114.0° |
| O63 | P16 | O66 | 109.9° | 109.5° |
| O63 | P16 | O65 | 109.7° | 109.5° |
| O63 | P62 | O61 | 82.8° | 90.0° |
| O63 | P62 | O64 | 111.1° | 120.0° |
| O63 | P62 | O75 | 81.9° | 90.0° |
| O63 | P62 | O17 | 137.7° | 120.0° |
| P62 | O61 | C60 | 121.1° | 114.0° |
| O61 | P62 | O64 | 111.0° | 90.0° |
| O61 | P62 | O75 | 138.2° | 180.0° |
| O61 | P62 | O17 | 84.8° | 90.0° |
| O61 | C60 | C39 | 110.9° | 109.5° |
| O61 | C60 | H75 | 109.1° | 109.4° |
| O61 | C60 | H76 | 109.1° | 109.5° |
| O66 | P16 | O65 | 109.3° | 109.4° |
| P16 | O66 | C72 | 118.7° | 123.0° |
| P16 | O65 | H91 | 109.5° | 114.0° |
| O64 | P62 | O75 | 110.7° | 90.0° |
| O64 | P62 | O17 | 111.2° | 120.0° |
| P62 | O64 | H90 | 109.5° | 114.0° |
| O66 | C72 | C71 | 109.9° | 109.5° |
| O66 | C72 | H81 | 109.4° | 109.5° |
| O66 | C72 | H82 | 109.4° | 109.5° |
| C72 | C71 | O69 | 110.9° | 109.9° |
| C72 | C71 | C70 | 111.2° | 109.9° |
| C72 | C71 | H80 | 108.9° | 110.0° |
| C71 | C72 | H81 | 109.4° | 109.5° |
| C71 | C72 | H82 | 109.4° | 109.5° |
| C60 | C39 | H41 | 108.1° | 109.4° |
| C39 | C60 | H75 | 109.1° | 109.5° |
| C39 | C60 | H76 | 109.1° | 109.5° |
| C24 | C23 | C22 | 110.7° | 109.4° |
| C23 | C24 | H9 | 109.5° | 109.4° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| C24 | C23 | H20 | 109.2° | 109.5° |
| C24 | C23 | H21 | 109.2° | 109.5° |
| O75 | P62 | O17 | 81.0° | 90.0° |
| P62 | O75 | C01 | 117.6° | 114.0° |
| P62 | O17 | H89 | 109.5° | 114.0° |
| O69 | C71 | C70 | 102.7° | 107.3° |
| C71 | O69 | C67 | 103.9° | 106.9° |
| O69 | C71 | H80 | 109.2° | 109.9° |
| C71 | C70 | O74 | 110.9° | 110.6° |
| C71 | C70 | C68 | 103.7° | 104.2° |
| C71 | C70 | H79 | 113.5° | 110.5° |
| C70 | C71 | H80 | 113.8° | 109.9° |
| O69 | C67 | C68 | 106.2° | 103.5° |
| O69 | C67 | N12 | 111.1° | 110.5° |
| O69 | C67 | H77 | 108.2° | 110.7° |
| O74 | C70 | C68 | 110.4° | 110.5° |
| O74 | C70 | H79 | 110.2° | 110.5° |
| C70 | O74 | H93 | 109.5° | 114.0° |
| O73 | C68 | C70 | 109.9° | 111.0° |
| O73 | C68 | C67 | 109.7° | 110.9° |
| O73 | C68 | H78 | 110.0° | 110.8° |
| C68 | O73 | H92 | 109.5° | 114.0° |
| C23 | C22 | C21 | 110.5° | 109.4° |
| C23 | C22 | H7 | 109.2° | 109.5° |
| C23 | C22 | H8 | 109.2° | 109.5° |
| C22 | C23 | H20 | 109.2° | 109.4° |
| C22 | C23 | H21 | 109.2° | 109.5° |
| O75 | C01 | C03 | 110.3° | 109.5° |
| O75 | C01 | H14 | 109.3° | 109.5° |
| O75 | C01 | H15 | 109.2° | 109.5° |
| C70 | C68 | C67 | 106.5° | 102.1° |
| C70 | C68 | H78 | 107.5° | 110.9° |
| C68 | C70 | H79 | 107.8° | 110.5° |
| C68 | C67 | N12 | 110.0° | 110.7° |
| C68 | C67 | H77 | 112.4° | 110.6° |
| C67 | C68 | H78 | 113.1° | 110.9° |
| C67 | N12 | C10 | 120.6° | 119.8° |
| C67 | N12 | C14 | 119.7° | 119.8° |
| N12 | C67 | H77 | 108.9° | 110.6° |
| C01 | C03 | C05 | 109.4° | 109.5° |
| C01 | C03 | N04 | 110.0° | 109.5° |
| C03 | C01 | H14 | 109.3° | 109.4° |
| C03 | C01 | H15 | 109.3° | 109.5° |
| C01 | C03 | H16 | 108.4° | 109.4° |
| C22 | C21 | C20 | 110.1° | 109.4° |
| C22 | C21 | H5 | 109.3° | 109.4° |
| C22 | C21 | H6 | 109.3° | 109.5° |
| C21 | C22 | H7 | 109.2° | 109.4° |
| C21 | C22 | H8 | 109.2° | 109.5° |
| C21 | C20 | H2 | 109.5° | 109.5° |
| C21 | C20 | H3 | 109.5° | 109.4° |
| C21 | C20 | H4 | 109.5° | 109.5° |
| C20 | C21 | H5 | 109.3° | 109.5° |
| C20 | C21 | H6 | 109.3° | 109.5° |
| C10 | N12 | C14 | 119.8° | 120.3° |
| N12 | C10 | C09 | 119.7° | 119.3° |
| N12 | C10 | H1 | 120.1° | 120.3° |
| N12 | C14 | O08 | 119.9° | 119.5° |
| N12 | C14 | N13 | 120.2° | 121.1° |
| C05 | C03 | N04 | 110.8° | 109.5° |
| C03 | C05 | O06 | 120.1° | 120.0° |
| C03 | C05 | O02 | 120.2° | 120.0° |
| C05 | C03 | H16 | 108.5° | 109.5° |
| N04 | C03 | H16 | 109.6° | 109.5° |
| C03 | N04 | H83 | 109.5° | 111.0° |
| C03 | N04 | H84 | 109.4° | 111.0° |
| O08 | C14 | N13 | 119.9° | 119.4° |
| C10 | C09 | C11 | 120.0° | 119.0° |
| C09 | C10 | H1 | 120.1° | 120.4° |
| C10 | C09 | H17 | 120.0° | 120.5° |
| C14 | N13 | C11 | 120.2° | 120.7° |
| O06 | C05 | O02 | 119.7° | 120.0° |
| C05 | O02 | H88 | 109.5° | 117.0° |
| C09 | C11 | N13 | 120.1° | 119.7° |
| C09 | C11 | N07 | 120.1° | 120.2° |
| C11 | C09 | H17 | 120.0° | 120.6° |
| N13 | C11 | N07 | 119.8° | 120.2° |
| C11 | N07 | H86 | 120.0° | 120.0° |
| C11 | N07 | H87 | 120.0° | 120.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.4° | 109.5° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.4° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.5° | 109.4° |
| H42 | C40 | H44 | 109.5° | 109.6° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H45 | C41 | H46 | 109.5° | 109.5° |
| H47 | C42 | H48 | 109.4° | 109.4° |
| H49 | C43 | H50 | 109.5° | 109.5° |
| H51 | C44 | H52 | 109.5° | 109.4° |
| H53 | C45 | H54 | 109.5° | 109.5° |
| H55 | C46 | H56 | 109.5° | 109.5° |
| H57 | C47 | H58 | 109.5° | 109.5° |
| H61 | C50 | H62 | 109.4° | 109.5° |
| H63 | C51 | H64 | 109.5° | 109.4° |
| H65 | C52 | H66 | 109.4° | 109.4° |
| H67 | C53 | H68 | 109.5° | 109.5° |
| H69 | C54 | H70 | 109.4° | 109.5° |
| H71 | C55 | H72 | 109.5° | 109.5° |
| H73 | C56 | H74 | 109.5° | 109.5° |
| H75 | C60 | H76 | 109.5° | 109.5° |
| H81 | C72 | H82 | 109.5° | 109.4° |
| H83 | N04 | H84 | 109.5° | 111.1° |
| H86 | N07 | H87 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C42 | C43 | H47 | 120.0° | 120.0° |
| C41 | C42 | C43 | H48 | 119.9° | 120.0° |
| C42 | C41 | C40 | H45 | 120.0° | 120.0° |
| C42 | C41 | C40 | H46 | 120.0° | 120.0° |
| C41 | C42 | C43 | C44 | 115.0° | 180.0° |
| C42 | C41 | C40 | H42 | 180.0° | 59.9° |
| C42 | C41 | C40 | H43 | 60.0° | 60.0° |
| C42 | C41 | C40 | H44 | 60.0° | 179.9° |
| C42 | C41 | H45 | H46 | 120.0° | 120.0° |
| C41 | C42 | H47 | H48 | 120.1° | 120.0° |
| C41 | C42 | C43 | H49 | 125.0° | 60.0° |
| C41 | C42 | C43 | H50 | 5.1° | 60.0° |
| C43 | C42 | C41 | C40 | 73.5° | 180.0° |
| C42 | C43 | C44 | H49 | 120.0° | 120.0° |
| C42 | C43 | C44 | H50 | 120.0° | 120.0° |
| C42 | C43 | C44 | C45 | 137.5° | 180.0° |
| C43 | C42 | C41 | H45 | 166.5° | 60.0° |
| C43 | C42 | C41 | H46 | 46.5° | 60.0° |
| C43 | C42 | H47 | H48 | 120.2° | 120.0° |
| C42 | C43 | H49 | H50 | 119.8° | 120.0° |
| C42 | C43 | C44 | H51 | 17.5° | 60.0° |
| C42 | C43 | C44 | H52 | 102.6° | 60.0° |
| C41 | C40 | H42 | H43 | 120.0° | 119.9° |
| C41 | C40 | H42 | H44 | 120.0° | 120.1° |
| C41 | C40 | H43 | H44 | 120.0° | 120.0° |
| C40 | C41 | H45 | H46 | 120.0° | 120.0° |
| C40 | C41 | C42 | H47 | 166.6° | 60.0° |
| C40 | C41 | C42 | H48 | 46.5° | 60.0° |
| C43 | C44 | C45 | H51 | 120.0° | 120.1° |
| C43 | C44 | C45 | H52 | 119.9° | 120.0° |
| C43 | C44 | C45 | C46 | 87.1° | 180.0° |
| C44 | C43 | C42 | H47 | 5.0° | 60.0° |
| C44 | C43 | C42 | H48 | 125.1° | 60.0° |
| C44 | C43 | H49 | H50 | 119.9° | 120.0° |
| C43 | C44 | H51 | H52 | 120.1° | 120.0° |
| C43 | C44 | C45 | H53 | 32.9° | 60.0° |
| C43 | C44 | C45 | H54 | 152.9° | 60.0° |
| C44 | C45 | C46 | H53 | 120.0° | 120.0° |
| C44 | C45 | C46 | H54 | 120.0° | 120.0° |
| C44 | C45 | C46 | C47 | 172.0° | 180.0° |
| C45 | C44 | C43 | H49 | 102.5° | 60.0° |
| C45 | C44 | C43 | H50 | 17.4° | 60.0° |
| C45 | C44 | H51 | H52 | 120.2° | 119.9° |
| C44 | C45 | H53 | H54 | 120.0° | 119.9° |
| C44 | C45 | C46 | H55 | 51.9° | 60.0° |
| C44 | C45 | C46 | H56 | 67.9° | 60.0° |
| C45 | C46 | C47 | H55 | 120.1° | 120.0° |
| C45 | C46 | C47 | H56 | 120.1° | 120.0° |
| C45 | C46 | C47 | C48 | 104.4° | 180.0° |
| C46 | C45 | C44 | H51 | 153.0° | 60.0° |
| C46 | C45 | C44 | H52 | 32.9° | 59.9° |
| C46 | C45 | H53 | H54 | 120.1° | 120.1° |
| C45 | C46 | H55 | H56 | 119.8° | 120.1° |
| C45 | C46 | C47 | H57 | 15.7° | 60.0° |
| C45 | C46 | C47 | H58 | 135.6° | 60.0° |
| C46 | C47 | C48 | H57 | 120.1° | 120.0° |
| C46 | C47 | C48 | H58 | 120.0° | 120.0° |
| C46 | C47 | C48 | C49 | 170.4° | 127.3° |
| C47 | C46 | C45 | H53 | 68.1° | 60.1° |
| C47 | C46 | C45 | H54 | 52.0° | 60.0° |
| C47 | C46 | H55 | H56 | 119.7° | 119.9° |
| C46 | C47 | H57 | H58 | 119.9° | 120.0° |
| C46 | C47 | C48 | H59 | 9.6° | 52.7° |
| C47 | C48 | C49 | H59 | 180.0° | 179.9° |
| C47 | C48 | C49 | C50 | 0.2° | 7.2° |
| C48 | C47 | C46 | H55 | 135.5° | 60.0° |
| C48 | C47 | C46 | H56 | 15.7° | 60.0° |
| C48 | C47 | H57 | H58 | 119.9° | 119.9° |
| C47 | C48 | C49 | H60 | 179.9° | 172.9° |
| C48 | C49 | C50 | H60 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 161.8° | 127.3° |
| C49 | C48 | C47 | H57 | 69.6° | 7.3° |
| C49 | C48 | C47 | H58 | 50.4° | 112.7° |
| C48 | C49 | C50 | H61 | 41.7° | 112.7° |
| C48 | C49 | C50 | H62 | 78.1° | 7.3° |
| C49 | C50 | C51 | H61 | 120.0° | 120.0° |
| C49 | C50 | C51 | H62 | 120.1° | 120.0° |
| C49 | C50 | C51 | C52 | 160.5° | 180.0° |
| C50 | C49 | C48 | H59 | 179.8° | 172.9° |
| C49 | C50 | H61 | H62 | 119.9° | 120.0° |
| C49 | C50 | C51 | H63 | 40.4° | 60.0° |
| C49 | C50 | C51 | H64 | 79.4° | 60.0° |
| C50 | C51 | C52 | H63 | 120.0° | 120.0° |
| C50 | C51 | C52 | H64 | 120.1° | 120.1° |
| C50 | C51 | C52 | C53 | 90.1° | 180.0° |
| C51 | C50 | C49 | H60 | 18.2° | 52.6° |
| C51 | C50 | H61 | H62 | 119.8° | 120.0° |
| C50 | C51 | H63 | H64 | 119.8° | 120.0° |
| C50 | C51 | C52 | H65 | 149.8° | 60.0° |
| C50 | C51 | C52 | H66 | 29.9° | 59.9° |
| C51 | C52 | C53 | H65 | 120.0° | 120.0° |
| C51 | C52 | C53 | H66 | 120.0° | 120.0° |
| C51 | C52 | C53 | C54 | 133.5° | 180.0° |
| C52 | C51 | C50 | H61 | 79.4° | 60.0° |
| C52 | C51 | C50 | H62 | 40.4° | 60.0° |
| C52 | C51 | H63 | H64 | 119.9° | 119.9° |
| C51 | C52 | H65 | H66 | 119.9° | 119.9° |
| C51 | C52 | C53 | H67 | 106.4° | 60.0° |
| C51 | C52 | C53 | H68 | 13.4° | 60.0° |
| C32 | C33 | C34 | H33 | 119.9° | 120.0° |
| C32 | C33 | C34 | H34 | 119.9° | 120.0° |
| C33 | C32 | C31 | H31 | 120.0° | 120.0° |
| C33 | C32 | C31 | H32 | 120.0° | 120.0° |
| C32 | C33 | C34 | C35 | 119.2° | 180.0° |
| C33 | C32 | C31 | C30 | 147.2° | 180.0° |
| C33 | C32 | C31 | H29 | 27.1° | 60.0° |
| C33 | C32 | C31 | H30 | 92.8° | 60.0° |
| C33 | C32 | H31 | H32 | 120.0° | 120.0° |
| C32 | C33 | H33 | H34 | 120.2° | 120.1° |
| C32 | C33 | C34 | H35 | 120.8° | 60.0° |
| C32 | C33 | C34 | H36 | 0.8° | 60.0° |
| C34 | C33 | C32 | C31 | 89.9° | 180.0° |
| C33 | C34 | C35 | H35 | 120.0° | 120.0° |
| C33 | C34 | C35 | H36 | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 175.3° | 180.0° |
| C34 | C33 | C32 | H31 | 30.1° | 60.0° |
| C34 | C33 | C32 | H32 | 150.2° | 60.0° |
| C34 | C33 | H33 | H34 | 120.2° | 119.9° |
| C33 | C34 | H35 | H36 | 119.9° | 120.0° |
| C33 | C34 | C35 | H37 | 55.4° | 60.0° |
| C33 | C34 | C35 | H38 | 64.8° | 60.0° |
| C32 | C31 | C30 | C29 | 71.9° | 180.0° |
| C32 | C31 | C30 | H29 | 120.1° | 119.9° |
| C32 | C31 | C30 | H30 | 120.1° | 120.0° |
| C32 | C31 | C30 | H27 | 168.1° | 60.0° |
| C32 | C31 | C30 | H28 | 48.1° | 60.0° |
| C32 | C31 | H29 | H30 | 119.8° | 120.0° |
| C31 | C32 | H31 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H33 | 30.1° | 60.1° |
| C31 | C32 | C33 | H34 | 150.2° | 60.0° |
| C34 | C35 | C36 | H37 | 119.9° | 120.0° |
| C34 | C35 | C36 | H38 | 119.9° | 120.0° |
| C34 | C35 | C36 | C37 | 175.4° | 180.0° |
| C35 | C34 | C33 | H33 | 0.7° | 60.0° |
| C35 | C34 | C33 | H34 | 120.9° | 60.0° |
| C35 | C34 | H35 | H36 | 119.9° | 120.0° |
| C34 | C35 | H37 | H38 | 120.3° | 120.0° |
| C34 | C35 | C36 | H39 | 55.4° | 60.0° |
| C34 | C35 | C36 | H40 | 64.5° | 60.0° |
| C52 | C53 | C54 | H67 | 120.1° | 120.0° |
| C52 | C53 | C54 | H68 | 120.1° | 120.0° |
| C52 | C53 | C54 | C55 | 148.7° | 180.0° |
| C53 | C52 | C51 | H63 | 29.9° | 60.0° |
| C53 | C52 | C51 | H64 | 149.8° | 60.0° |
| C53 | C52 | H65 | H66 | 119.9° | 120.0° |
| C52 | C53 | H67 | H68 | 119.7° | 120.0° |
| C52 | C53 | C54 | H69 | 91.3° | 60.0° |
| C52 | C53 | C54 | H70 | 28.7° | 60.0° |
| C53 | C54 | C55 | H69 | 120.0° | 120.0° |
| C53 | C54 | C55 | H70 | 120.0° | 120.0° |
| C53 | C54 | C55 | C56 | 151.6° | 180.0° |
| C54 | C53 | C52 | H65 | 13.5° | 59.9° |
| C54 | C53 | C52 | H66 | 106.4° | 60.0° |
| C54 | C53 | H67 | H68 | 119.7° | 120.0° |
| C53 | C54 | H69 | H70 | 120.0° | 120.0° |
| C53 | C54 | C55 | H71 | 88.3° | 60.0° |
| C53 | C54 | C55 | H72 | 31.5° | 60.0° |
| C27 | C28 | C29 | H13 | 180.0° | 179.9° |
| C28 | C27 | C26 | H24 | 120.0° | 120.0° |
| C28 | C27 | C26 | H25 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 0.3° | 7.7° |
| C28 | C27 | C26 | C25 | 134.5° | 180.0° |
| C28 | C27 | C26 | H11 | 14.4° | 60.0° |
| C28 | C27 | C26 | H12 | 105.5° | 60.0° |
| C28 | C27 | H24 | H25 | 120.0° | 120.0° |
| C27 | C28 | C29 | H26 | 179.7° | 172.3° |
| C29 | C28 | C27 | C26 | 105.0° | 126.5° |
| C28 | C29 | C30 | H26 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 161.3° | 126.5° |
| C29 | C28 | C27 | H24 | 135.0° | 6.5° |
| C29 | C28 | C27 | H25 | 15.0° | 113.5° |
| C28 | C29 | C30 | H27 | 78.6° | 113.6° |
| C28 | C29 | C30 | H28 | 41.3° | 6.5° |
| C27 | C26 | C25 | H11 | 120.0° | 119.9° |
| C27 | C26 | C25 | H12 | 120.0° | 120.0° |
| C27 | C26 | C25 | C24 | 174.4° | 180.0° |
| C27 | C26 | H11 | H12 | 119.9° | 120.0° |
| C26 | C27 | C28 | H13 | 75.0° | 53.5° |
| C27 | C26 | C25 | H22 | 54.3° | 60.1° |
| C27 | C26 | C25 | H23 | 65.6° | 60.0° |
| C26 | C27 | H24 | H25 | 120.0° | 120.0° |
| O58 | C57 | C56 | C55 | 10.7° | 3.9° |
| O58 | C57 | C56 | O59 | 178.9° | 180.0° |
| O58 | C57 | O59 | C39 | 101.1° | 0.5° |
| O58 | C57 | C56 | H73 | 109.2° | 116.1° |
| O58 | C57 | C56 | H74 | 130.7° | 123.9° |
| C29 | C30 | C31 | H27 | 120.1° | 120.0° |
| C29 | C30 | C31 | H28 | 120.0° | 120.0° |
| C30 | C29 | C28 | H13 | 179.7° | 172.4° |
| C29 | C30 | H27 | H28 | 119.9° | 120.1° |
| C29 | C30 | C31 | H29 | 168.0° | 60.1° |
| C29 | C30 | C31 | H30 | 48.2° | 60.0° |
| C54 | C55 | C56 | H71 | 120.1° | 120.0° |
| C54 | C55 | C56 | H72 | 120.1° | 120.0° |
| C54 | C55 | C56 | C57 | 140.2° | 178.9° |
| C55 | C54 | C53 | H67 | 28.6° | 60.0° |
| C55 | C54 | C53 | H68 | 91.2° | 60.0° |
| C55 | C54 | H69 | H70 | 120.0° | 120.0° |
| C54 | C55 | H71 | H72 | 119.7° | 120.0° |
| C54 | C55 | C56 | H73 | 20.2° | 61.1° |
| C54 | C55 | C56 | H74 | 99.9° | 59.0° |
| C55 | C56 | C57 | H73 | 119.9° | 120.0° |
| C55 | C56 | C57 | H74 | 119.9° | 120.0° |
| C55 | C56 | C57 | O59 | 168.2° | 176.1° |
| C56 | C55 | C54 | H69 | 31.6° | 60.0° |
| C56 | C55 | C54 | H70 | 88.4° | 60.0° |
| C56 | C55 | H71 | H72 | 119.7° | 120.0° |
| C55 | C56 | H73 | H74 | 120.2° | 120.1° |
| C35 | C36 | C37 | H39 | 120.1° | 120.0° |
| C35 | C36 | C37 | H40 | 120.1° | 120.0° |
| C35 | C36 | C37 | O19 | 54.4° | 0.0° |
| C35 | C36 | C37 | O38 | 125.3° | 180.0° |
| C36 | C35 | C34 | H35 | 64.7° | 60.1° |
| C36 | C35 | C34 | H36 | 55.3° | 60.0° |
| C36 | C35 | H37 | H38 | 120.3° | 120.0° |
| C35 | C36 | H39 | H40 | 119.8° | 120.0° |
| C36 | C37 | O19 | O38 | 179.7° | 179.9° |
| C36 | C37 | O38 | C18 | 41.1° | 180.0° |
| C37 | C36 | C35 | H37 | 64.7° | 60.0° |
| C37 | C36 | C35 | H38 | 55.5° | 60.0° |
| C37 | C36 | H39 | H40 | 119.8° | 120.0° |
| C31 | C30 | C29 | H26 | 18.7° | 53.5° |
| C31 | C30 | H27 | H28 | 119.9° | 120.0° |
| C30 | C31 | H29 | H30 | 119.8° | 120.0° |
| C30 | C31 | C32 | H31 | 92.9° | 60.0° |
| C30 | C31 | C32 | H32 | 27.2° | 60.0° |
| C26 | C25 | C24 | H22 | 120.0° | 120.0° |
| C26 | C25 | C24 | H23 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 87.4° | 180.0° |
| C26 | C25 | C24 | H9 | 32.6° | 60.0° |
| C26 | C25 | C24 | H10 | 152.7° | 60.0° |
| C25 | C26 | H11 | H12 | 119.9° | 120.1° |
| C26 | C25 | H22 | H23 | 119.9° | 120.0° |
| C25 | C26 | C27 | H24 | 105.6° | 60.0° |
| C25 | C26 | C27 | H25 | 14.5° | 60.0° |
| C56 | C57 | O59 | C39 | 80.0° | 179.5° |
| C57 | C56 | C55 | H71 | 99.7° | 58.9° |
| C57 | C56 | C55 | H72 | 20.1° | 61.1° |
| C57 | C56 | H73 | H74 | 120.2° | 120.0° |
| C57 | O59 | C39 | C18 | 32.9° | 121.3° |
| C57 | O59 | C39 | C60 | 153.4° | 118.7° |
| C57 | O59 | C39 | H41 | 87.4° | 1.3° |
| O59 | C57 | C56 | H73 | 71.9° | 63.9° |
| O59 | C57 | C56 | H74 | 48.3° | 56.1° |
| O15 | P16 | O63 | O66 | 119.9° | 120.0° |
| O15 | P16 | O63 | O65 | 119.9° | 120.0° |
| O15 | P16 | O63 | P62 | 121.9° | 45.7° |
| O15 | P16 | O66 | O65 | 119.5° | 119.9° |
| O15 | P16 | O66 | C72 | 120.6° | 57.8° |
| O15 | P16 | O65 | H91 | 0.0° | 180.0° |
| O19 | C37 | O38 | C18 | 139.2° | 0.1° |
| O19 | C37 | C36 | H39 | 65.7° | 119.9° |
| O19 | C37 | C36 | H40 | 174.4° | 120.1° |
| C37 | O38 | C18 | C39 | 136.0° | 180.0° |
| C37 | O38 | C18 | H18 | 15.9° | 60.0° |
| C37 | O38 | C18 | H19 | 104.0° | 59.9° |
| O38 | C37 | C36 | H39 | 114.6° | 60.0° |
| O38 | C37 | C36 | H40 | 5.2° | 60.0° |
| C25 | C24 | C23 | H9 | 120.0° | 120.0° |
| C25 | C24 | C23 | H10 | 119.9° | 120.0° |
| C25 | C24 | C23 | C22 | 138.7° | 180.0° |
| C25 | C24 | H9 | H10 | 120.1° | 120.0° |
| C24 | C25 | C26 | H11 | 65.6° | 60.0° |
| C24 | C25 | C26 | H12 | 54.3° | 60.0° |
| C25 | C24 | C23 | H20 | 18.5° | 60.0° |
| C25 | C24 | C23 | H21 | 101.1° | 60.0° |
| C24 | C25 | H22 | H23 | 119.9° | 120.0° |
| O59 | C39 | C18 | O38 | 105.4° | 65.0° |
| O59 | C39 | C18 | C60 | 121.4° | 120.0° |
| O59 | C39 | C18 | H41 | 121.4° | 120.0° |
| O59 | C39 | C60 | O61 | 12.7° | 91.9° |
| O59 | C39 | C60 | H41 | 120.4° | 120.0° |
| O59 | C39 | C18 | H18 | 14.6° | 55.0° |
| O59 | C39 | C18 | H19 | 134.6° | 175.0° |
| O59 | C39 | C60 | H75 | 107.5° | 148.1° |
| O59 | C39 | C60 | H76 | 132.9° | 28.1° |
| O38 | C18 | C39 | H18 | 120.1° | 120.0° |
| O38 | C18 | C39 | H19 | 120.0° | 120.0° |
| O38 | C18 | C39 | C60 | 133.2° | 55.0° |
| O38 | C18 | H18 | H19 | 119.8° | 120.0° |
| O38 | C18 | C39 | H41 | 16.0° | 175.0° |
| C18 | C39 | C60 | O61 | 109.6° | 28.2° |
| C18 | C39 | C60 | H41 | 117.3° | 119.9° |
| C39 | C18 | H18 | H19 | 119.9° | 120.0° |
| C18 | C39 | C60 | H75 | 130.2° | 91.8° |
| C18 | C39 | C60 | H76 | 10.6° | 148.2° |
| P16 | O63 | P62 | O61 | 72.9° | 61.7° |
| O63 | P16 | O66 | O65 | 120.5° | 120.0° |
| P16 | O63 | P62 | O64 | 177.3° | 151.7° |
| O63 | P16 | O66 | C72 | 0.5° | 177.8° |
| P16 | O63 | P62 | O75 | 68.1° | 118.3° |
| P16 | O63 | P62 | O17 | 1.1° | 28.3° |
| O63 | P16 | O65 | H91 | 120.0° | 60.0° |
| O63 | P62 | O61 | O64 | 109.8° | 120.0° |
| O63 | P62 | O61 | O75 | 69.3° | 4.7° |
| O63 | P62 | O61 | O17 | 139.5° | 120.0° |
| O63 | P62 | O61 | C60 | 133.4° | 26.4° |
| P62 | O63 | P16 | O66 | 118.2° | 165.7° |
| P62 | O63 | P16 | O65 | 2.0° | 74.3° |
| O63 | P62 | O64 | O75 | 89.1° | 90.0° |
| O63 | P62 | O64 | O17 | 177.3° | 180.0° |
| O63 | P62 | O75 | O17 | 141.1° | 120.0° |
| O63 | P62 | O75 | C01 | 105.4° | 176.5° |
| O63 | P62 | O17 | H89 | 180.0° | 89.2° |
| O63 | P62 | O64 | H90 | 180.0° | 81.5° |
| O61 | P62 | O64 | O75 | 179.4° | 180.0° |
| O61 | P62 | O64 | O17 | 92.5° | 90.0° |
| P62 | O61 | C60 | C39 | 117.6° | 110.3° |
| O61 | P62 | O75 | O17 | 71.6° | 124.7° |
| O61 | P62 | O75 | C01 | 175.0° | 171.8° |
| P62 | O61 | C60 | H75 | 2.6° | 9.6° |
| P62 | O61 | C60 | H76 | 122.2° | 129.7° |
| O61 | P62 | O17 | H89 | 106.7° | 179.2° |
| O61 | P62 | O64 | H90 | 89.8° | 171.5° |
| C60 | O61 | P62 | O64 | 116.7° | 93.6° |
| O61 | C60 | C39 | H75 | 120.2° | 119.9° |
| O61 | C60 | C39 | H76 | 120.2° | 120.0° |
| C60 | O61 | P62 | O75 | 64.2° | 21.7° |
| C60 | O61 | P62 | O17 | 6.0° | 146.4° |
| O61 | C60 | C39 | H41 | 133.2° | 148.1° |
| O61 | C60 | H75 | H76 | 119.4° | 120.0° |
| P16 | O66 | C72 | C71 | 175.5° | 174.8° |
| P16 | O66 | C72 | H81 | 55.4° | 54.8° |
| P16 | O66 | C72 | H82 | 64.5° | 65.2° |
| O66 | P16 | O65 | H91 | 119.4° | 60.0° |
| O65 | P16 | O66 | C72 | 119.9° | 62.2° |
| O64 | P62 | O75 | O17 | 109.3° | 120.0° |
| O64 | P62 | O75 | C01 | 4.1° | 56.5° |
| O64 | P62 | O17 | H89 | 3.8° | 90.8° |
| O66 | C72 | C71 | H81 | 120.1° | 120.0° |
| O66 | C72 | C71 | H82 | 120.1° | 120.0° |
| O66 | C72 | C71 | O69 | 2.9° | 66.5° |
| O66 | C72 | C71 | C70 | 110.7° | 175.7° |
| O66 | C72 | C71 | H80 | 123.1° | 54.6° |
| O66 | C72 | H81 | H82 | 119.8° | 120.0° |
| C72 | C71 | O69 | C70 | 118.8° | 119.4° |
| C72 | C71 | O69 | H80 | 120.0° | 121.1° |
| C72 | C71 | C70 | H80 | 123.5° | 121.2° |
| C72 | C71 | O69 | C67 | 152.8° | 146.0° |
| C72 | C71 | C70 | O74 | 82.9° | 119.9° |
| C72 | C71 | C70 | C68 | 158.5° | 121.4° |
| C72 | C71 | C70 | H79 | 41.8° | 2.8° |
| C71 | C72 | H81 | H82 | 119.8° | 120.0° |
| C60 | C39 | C18 | H18 | 106.8° | 175.0° |
| C60 | C39 | C18 | H19 | 13.1° | 65.0° |
| C39 | C60 | H75 | H76 | 119.4° | 120.0° |
| C24 | C23 | C22 | H20 | 120.2° | 120.0° |
| C24 | C23 | C22 | H21 | 120.2° | 120.0° |
| C24 | C23 | C22 | C21 | 35.9° | 180.0° |
| C24 | C23 | C22 | H7 | 156.0° | 60.1° |
| C24 | C23 | C22 | H8 | 84.3° | 60.0° |
| C23 | C24 | H9 | H10 | 120.1° | 120.0° |
| C24 | C23 | H20 | H21 | 119.4° | 120.0° |
| C23 | C24 | C25 | H22 | 152.6° | 60.0° |
| C23 | C24 | C25 | H23 | 32.7° | 60.0° |
| P62 | O75 | C01 | C03 | 126.6° | 173.8° |
| P62 | O75 | C01 | H14 | 6.5° | 66.2° |
| P62 | O75 | C01 | H15 | 113.3° | 53.8° |
| O75 | P62 | O17 | H89 | 112.7° | 0.8° |
| O75 | P62 | O64 | H90 | 90.9° | 8.5° |
| O17 | P62 | O75 | C01 | 113.4° | 63.5° |
| O17 | P62 | O64 | H90 | 2.8° | 98.5° |
| O69 | C71 | C70 | H80 | 117.9° | 119.5° |
| O69 | C71 | C70 | O74 | 158.4° | 120.8° |
| O69 | C71 | C70 | C68 | 39.9° | 2.1° |
| C71 | O69 | C67 | C68 | 9.4° | 40.1° |
| C71 | O69 | C67 | N12 | 129.0° | 158.6° |
| C71 | O69 | C67 | H77 | 111.6° | 78.5° |
| O69 | C71 | C70 | H79 | 76.8° | 116.6° |
| O69 | C71 | C72 | H81 | 123.0° | 173.5° |
| O69 | C71 | C72 | H82 | 117.2° | 53.6° |
| C70 | C71 | O69 | C67 | 34.0° | 26.6° |
| C71 | C70 | O74 | C68 | 114.4° | 114.8° |
| C71 | C70 | O74 | H79 | 126.6° | 122.6° |
| C71 | C70 | C68 | O73 | 81.7° | 139.1° |
| C71 | C70 | C68 | H79 | 120.7° | 118.7° |
| C71 | C70 | C68 | C67 | 37.1° | 20.9° |
| C71 | C70 | C68 | H78 | 158.6° | 97.3° |
| C70 | C71 | C72 | H81 | 9.4° | 55.7° |
| C70 | C71 | C72 | H82 | 129.3° | 64.2° |
| C71 | C70 | O74 | H93 | 180.0° | 176.3° |
| O69 | C67 | C68 | O73 | 106.0° | 155.3° |
| O69 | C67 | C68 | C70 | 12.8° | 37.1° |
| O69 | C67 | C68 | N12 | 120.3° | 118.4° |
| O69 | C67 | C68 | H77 | 118.1° | 118.7° |
| O69 | C67 | N12 | H77 | 119.0° | 123.0° |
| O69 | C67 | N12 | C10 | 27.4° | 131.0° |
| O69 | C67 | N12 | C14 | 152.8° | 49.1° |
| O69 | C67 | C68 | H78 | 130.7° | 81.2° |
| C67 | O69 | C71 | H80 | 87.2° | 92.9° |
| O74 | C70 | C68 | O73 | 37.2° | 20.3° |
| O74 | C70 | C68 | H79 | 120.4° | 122.6° |
| O74 | C70 | C68 | C67 | 156.0° | 97.9° |
| O74 | C70 | C68 | H78 | 82.5° | 143.9° |
| O74 | C70 | C71 | H80 | 40.5° | 1.3° |
| O73 | C68 | C70 | C67 | 118.7° | 118.2° |
| O73 | C68 | C70 | H78 | 119.8° | 123.6° |
| O73 | C68 | C67 | H78 | 123.3° | 123.5° |
| O73 | C68 | C67 | N12 | 133.6° | 86.2° |
| O73 | C68 | C67 | H77 | 12.1° | 36.7° |
| O73 | C68 | C70 | H79 | 157.7° | 102.2° |
| C23 | C22 | C21 | H7 | 120.1° | 120.0° |
| C23 | C22 | C21 | H8 | 120.1° | 120.0° |
| C23 | C22 | C21 | C20 | 89.6° | 180.0° |
| C23 | C22 | C21 | H5 | 150.3° | 60.0° |
| C23 | C22 | C21 | H6 | 30.5° | 60.0° |
| C23 | C22 | H7 | H8 | 119.5° | 120.1° |
| C22 | C23 | C24 | H9 | 101.3° | 60.0° |
| C22 | C23 | C24 | H10 | 18.8° | 60.0° |
| C22 | C23 | H20 | H21 | 119.5° | 120.0° |
| O75 | C01 | C03 | H14 | 120.1° | 120.1° |
| O75 | C01 | C03 | H15 | 120.1° | 120.0° |
| O75 | C01 | C03 | C05 | 111.5° | 175.0° |
| O75 | C01 | C03 | N04 | 10.4° | 65.0° |
| O75 | C01 | H14 | H15 | 119.6° | 120.0° |
| O75 | C01 | C03 | H16 | 130.2° | 55.0° |
| C70 | C68 | C67 | H78 | 117.9° | 118.2° |
| C70 | C68 | C67 | N12 | 107.5° | 155.5° |
| C70 | C68 | C67 | H77 | 130.9° | 81.6° |
| C68 | C70 | C71 | H80 | 78.0° | 117.4° |
| C70 | C68 | O73 | H92 | 180.0° | 67.2° |
| C68 | C70 | O74 | H93 | 65.6° | 61.5° |
| C68 | C67 | N12 | H77 | 123.6° | 123.0° |
| C68 | C67 | N12 | C10 | 89.9° | 115.0° |
| C68 | C67 | N12 | C14 | 89.8° | 65.0° |
| C67 | C68 | C70 | H79 | 83.6° | 139.5° |
| C67 | C68 | O73 | H92 | 63.3° | 180.0° |
| C67 | N12 | C10 | C14 | 179.8° | 179.9° |
| C67 | N12 | C14 | O08 | 0.2° | 0.0° |
| C67 | N12 | C10 | C09 | 179.9° | 180.0° |
| C67 | N12 | C14 | N13 | 179.9° | 179.6° |
| C67 | N12 | C10 | H1 | 0.1° | 0.2° |
| N12 | C67 | C68 | H78 | 10.4° | 37.3° |
| C01 | C03 | C05 | N04 | 121.5° | 120.0° |
| C01 | C03 | C05 | H16 | 118.2° | 120.0° |
| C01 | C03 | N04 | H16 | 119.1° | 120.0° |
| C01 | C03 | C05 | O06 | 101.5° | 100.0° |
| C01 | C03 | C05 | O02 | 78.2° | 80.0° |
| C03 | C01 | H14 | H15 | 119.6° | 119.9° |
| C01 | C03 | N04 | H83 | 180.0° | 176.0° |
| C01 | C03 | N04 | H84 | 60.0° | 60.0° |
| C22 | C21 | C20 | H5 | 120.1° | 120.0° |
| C22 | C21 | C20 | H6 | 120.1° | 120.0° |
| C22 | C21 | C20 | H2 | 180.0° | 60.0° |
| C22 | C21 | C20 | H3 | 60.0° | 180.0° |
| C22 | C21 | C20 | H4 | 60.0° | 60.0° |
| C22 | C21 | H5 | H6 | 119.7° | 120.0° |
| C21 | C22 | H7 | H8 | 119.6° | 120.0° |
| C21 | C22 | C23 | H20 | 84.3° | 60.0° |
| C21 | C22 | C23 | H21 | 156.1° | 60.0° |
| C21 | C20 | H2 | H3 | 120.0° | 120.0° |
| C21 | C20 | H2 | H4 | 120.0° | 120.0° |
| C21 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C21 | H5 | H6 | 119.7° | 120.0° |
| C20 | C21 | C22 | H7 | 30.5° | 60.0° |
| C20 | C21 | C22 | H8 | 150.3° | 60.0° |
| C10 | N12 | C14 | O08 | 179.9° | 180.0° |
| N12 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | N12 | C14 | N13 | 0.2° | 0.5° |
| N12 | C10 | C09 | C11 | 0.1° | 0.2° |
| N12 | C10 | C09 | H17 | 179.9° | 179.8° |
| C10 | N12 | C67 | H77 | 146.5° | 8.0° |
| N12 | C14 | O08 | N13 | 179.9° | 179.5° |
| C14 | N12 | C10 | C09 | 0.1° | 0.0° |
| N12 | C14 | N13 | C11 | 0.2° | 0.7° |
| C14 | N12 | C10 | H1 | 179.9° | 179.7° |
| C14 | N12 | C67 | H77 | 33.8° | 172.1° |
| C05 | C03 | N04 | H16 | 119.8° | 120.0° |
| C03 | C05 | O06 | O02 | 179.7° | 180.0° |
| C05 | C03 | C01 | H14 | 128.3° | 65.0° |
| C05 | C03 | C01 | H15 | 8.6° | 54.9° |
| C05 | C03 | N04 | H83 | 58.9° | 64.0° |
| C05 | C03 | N04 | H84 | 61.1° | 60.0° |
| C03 | C05 | O02 | H88 | 179.7° | 179.9° |
| N04 | C03 | C05 | O06 | 137.0° | 20.0° |
| N04 | C03 | C05 | O02 | 43.2° | 160.0° |
| N04 | C03 | C01 | H14 | 109.7° | 55.0° |
| N04 | C03 | C01 | H15 | 130.5° | 175.0° |
| C03 | N04 | H83 | H84 | 120.0° | 124.0° |
| O08 | C14 | N13 | C11 | 179.9° | 179.8° |
| C10 | C09 | C11 | H17 | 180.0° | 180.0° |
| C10 | C09 | C11 | N13 | 0.1° | 0.1° |
| C10 | C09 | C11 | N07 | 180.0° | 180.0° |
| C14 | N13 | C11 | C09 | 0.2° | 0.4° |
| C14 | N13 | C11 | N07 | 180.0° | 179.5° |
| O06 | C05 | C03 | H16 | 16.7° | 140.0° |
| O06 | C05 | O02 | H88 | 0.0° | 0.1° |
| O02 | C05 | C03 | H16 | 163.6° | 40.0° |
| C09 | C11 | N13 | N07 | 179.8° | 179.9° |
| C11 | C09 | C10 | H1 | 179.9° | 180.0° |
| C09 | C11 | N07 | H86 | 179.8° | 0.1° |
| C09 | C11 | N07 | H87 | 0.2° | 180.0° |
| N13 | C11 | C09 | H17 | 179.9° | 180.0° |
| N13 | C11 | N07 | H86 | 0.0° | 180.0° |
| N13 | C11 | N07 | H87 | 180.0° | 0.0° |
| N07 | C11 | C09 | H17 | 0.0° | 0.0° |
| C11 | N07 | H86 | H87 | 179.9° | 180.0° |
| H1 | C10 | C09 | H17 | 0.1° | 0.0° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H2 | C20 | C21 | H5 | 59.9° | 180.0° |
| H2 | C20 | C21 | H6 | 59.9° | 60.0° |
| H3 | C20 | C21 | H5 | 179.9° | 60.0° |
| H3 | C20 | C21 | H6 | 60.1° | 60.0° |
| H4 | C20 | C21 | H5 | 60.1° | 60.0° |
| H4 | C20 | C21 | H6 | 179.9° | 180.0° |
| H5 | C21 | C22 | H7 | 89.6° | 180.0° |
| H5 | C21 | C22 | H8 | 30.1° | 60.0° |
| H6 | C21 | C22 | H7 | 150.6° | 60.0° |
| H6 | C21 | C22 | H8 | 89.6° | 180.0° |
| H7 | C22 | C23 | H20 | 35.8° | 180.0° |
| H7 | C22 | C23 | H21 | 83.8° | 59.9° |
| H8 | C22 | C23 | H20 | 155.6° | 60.0° |
| H8 | C22 | C23 | H21 | 35.9° | 180.0° |
| H9 | C24 | C23 | H20 | 138.5° | 180.0° |
| H9 | C24 | C23 | H21 | 18.9° | 60.0° |
| H9 | C24 | C25 | H22 | 87.4° | 180.0° |
| H9 | C24 | C25 | H23 | 152.6° | 59.9° |
| H10 | C24 | C23 | H20 | 101.4° | 60.0° |
| H10 | C24 | C23 | H21 | 139.0° | 180.0° |
| H10 | C24 | C25 | H22 | 32.7° | 60.0° |
| H10 | C24 | C25 | H23 | 87.3° | 180.0° |
| H11 | C26 | C25 | H22 | 174.4° | NaN° |
| H11 | C26 | C25 | H23 | 54.4° | 59.9° |
| H11 | C26 | C27 | H24 | 134.4° | 180.0° |
| H11 | C26 | C27 | H25 | 105.5° | 60.0° |
| H12 | C26 | C25 | H22 | 65.7° | 60.0° |
| H12 | C26 | C25 | H23 | 174.4° | 180.0° |
| H12 | C26 | C27 | H24 | 14.5° | 60.0° |
| H12 | C26 | C27 | H25 | 134.5° | 180.0° |
| H13 | C28 | C27 | H24 | 45.0° | 173.4° |
| H13 | C28 | C27 | H25 | 165.0° | 66.6° |
| H13 | C28 | C29 | H26 | 0.3° | 7.6° |
| H14 | C01 | C03 | H16 | 10.1° | 175.0° |
| H15 | C01 | C03 | H16 | 109.7° | 65.1° |
| H16 | C03 | N04 | H83 | 60.9° | 56.0° |
| H16 | C03 | N04 | H84 | 179.1° | 179.9° |
| H18 | C18 | C39 | H41 | 136.1° | 65.0° |
| H19 | C18 | C39 | H41 | 104.0° | 55.0° |
| H26 | C29 | C30 | H27 | 101.4° | 66.4° |
| H26 | C29 | C30 | H28 | 138.7° | 173.5° |
| H27 | C30 | C31 | H29 | 48.0° | 180.0° |
| H27 | C30 | C31 | H30 | 71.9° | 60.0° |
| H28 | C30 | C31 | H29 | 72.0° | 59.9° |
| H28 | C30 | C31 | H30 | 168.2° | 180.0° |
| H29 | C31 | C32 | H31 | 147.1° | 180.0° |
| H29 | C31 | C32 | H32 | 92.9° | 60.0° |
| H30 | C31 | C32 | H31 | 27.2° | 60.0° |
| H30 | C31 | C32 | H32 | 147.2° | 180.0° |
| H31 | C32 | C33 | H33 | 150.0° | 180.0° |
| H31 | C32 | C33 | H34 | 89.8° | 60.0° |
| H32 | C32 | C33 | H33 | 89.9° | 60.0° |
| H32 | C32 | C33 | H34 | 30.2° | 180.0° |
| H33 | C33 | C34 | H35 | 119.3° | 180.0° |
| H33 | C33 | C34 | H36 | 120.8° | 60.0° |
| H34 | C33 | C34 | H35 | 0.8° | 60.0° |
| H34 | C33 | C34 | H36 | 119.1° | 180.0° |
| H35 | C34 | C35 | H37 | 175.5° | 180.0° |
| H35 | C34 | C35 | H38 | 55.2° | 59.9° |
| H36 | C34 | C35 | H37 | 64.6° | 60.0° |
| H36 | C34 | C35 | H38 | 175.1° | 180.0° |
| H37 | C35 | C36 | H39 | 175.3° | 180.0° |
| H37 | C35 | C36 | H40 | 55.4° | 60.0° |
| H38 | C35 | C36 | H39 | 64.5° | 59.9° |
| H38 | C35 | C36 | H40 | 175.6° | 180.0° |
| H41 | C39 | C60 | H75 | 12.9° | 28.1° |
| H41 | C39 | C60 | H76 | 106.6° | 91.9° |
| H42 | C40 | H43 | H44 | 120.0° | 120.1° |
| H42 | C40 | C41 | H45 | 60.0° | 60.1° |
| H42 | C40 | C41 | H46 | 60.0° | 179.9° |
| H43 | C40 | C41 | H45 | 180.0° | 180.0° |
| H43 | C40 | C41 | H46 | 60.0° | 60.0° |
| H44 | C40 | C41 | H45 | 60.0° | 60.1° |
| H44 | C40 | C41 | H46 | 180.0° | 60.0° |
| H45 | C41 | C42 | H47 | 46.6° | 179.9° |
| H45 | C41 | C42 | H48 | 73.5° | 60.1° |
| H46 | C41 | C42 | H47 | 73.4° | 60.0° |
| H46 | C41 | C42 | H48 | 166.5° | 180.0° |
| H47 | C42 | C43 | H49 | 115.1° | 180.0° |
| H47 | C42 | C43 | H50 | 125.1° | 60.0° |
| H48 | C42 | C43 | H49 | 5.0° | 60.0° |
| H48 | C42 | C43 | H50 | 114.8° | 179.9° |
| H49 | C43 | C44 | H51 | 137.5° | 180.0° |
| H49 | C43 | C44 | H52 | 17.5° | 60.1° |
| H50 | C43 | C44 | H51 | 102.5° | 60.0° |
| H50 | C43 | C44 | H52 | 137.4° | 180.0° |
| H51 | C44 | C45 | H53 | 87.1° | 180.0° |
| H51 | C44 | C45 | H54 | 33.0° | 60.1° |
| H52 | C44 | C45 | H53 | 152.8° | 60.1° |
| H52 | C44 | C45 | H54 | 87.1° | 180.0° |
| H53 | C45 | C46 | H55 | 171.9° | 180.0° |
| H53 | C45 | C46 | H56 | 52.0° | 59.9° |
| H54 | C45 | C46 | H55 | 68.1° | 59.9° |
| H54 | C45 | C46 | H56 | 172.1° | 180.0° |
| H55 | C46 | C47 | H57 | 104.4° | 180.0° |
| H55 | C46 | C47 | H58 | 15.5° | 60.0° |
| H56 | C46 | C47 | H57 | 135.8° | 60.0° |
| H56 | C46 | C47 | H58 | 104.3° | 180.0° |
| H57 | C47 | C48 | H59 | 110.4° | 172.7° |
| H58 | C47 | C48 | H59 | 129.7° | 67.3° |
| H59 | C48 | C49 | H60 | 0.1° | 7.1° |
| H60 | C49 | C50 | H61 | 138.3° | 67.3° |
| H60 | C49 | C50 | H62 | 101.8° | 172.7° |
| H61 | C50 | C51 | H63 | 160.5° | 180.0° |
| H61 | C50 | C51 | H64 | 40.6° | 60.0° |
| H62 | C50 | C51 | H63 | 79.6° | 60.0° |
| H62 | C50 | C51 | H64 | 160.5° | 180.0° |
| H63 | C51 | C52 | H65 | 90.1° | 179.9° |
| H63 | C51 | C52 | H66 | 150.0° | 60.1° |
| H64 | C51 | C52 | H65 | 29.8° | 60.1° |
| H64 | C51 | C52 | H66 | 90.1° | 180.0° |
| H65 | C52 | C53 | H67 | 133.6° | 180.0° |
| H65 | C52 | C53 | H68 | 106.6° | 60.1° |
| H66 | C52 | C53 | H67 | 13.6° | 60.0° |
| H66 | C52 | C53 | H68 | 133.5° | 180.0° |
| H67 | C53 | C54 | H69 | 148.6° | 180.0° |
| H67 | C53 | C54 | H70 | 91.4° | 60.0° |
| H68 | C53 | C54 | H69 | 28.8° | 60.0° |
| H68 | C53 | C54 | H70 | 148.8° | 180.0° |
| H69 | C54 | C55 | H71 | 151.7° | 180.0° |
| H69 | C54 | C55 | H72 | 88.5° | 60.0° |
| H70 | C54 | C55 | H71 | 31.7° | 60.0° |
| H70 | C54 | C55 | H72 | 151.5° | 180.0° |
| H71 | C55 | C56 | H73 | 140.3° | 178.9° |
| H71 | C55 | C56 | H74 | 20.2° | 61.0° |
| H72 | C55 | C56 | H73 | 99.9° | 58.9° |
| H72 | C55 | C56 | H74 | 140.0° | 179.0° |
| H77 | C67 | C68 | H78 | 111.2° | 160.2° |
| H78 | C68 | C70 | H79 | 37.9° | 21.3° |
| H78 | C68 | O73 | H92 | 61.8° | 56.5° |
| H79 | C70 | C71 | H80 | 165.3° | 123.9° |
| H79 | C70 | O74 | H93 | 53.4° | 61.1° |
| H80 | C71 | C72 | H81 | 116.8° | 65.4° |
| H80 | C71 | C72 | H82 | 3.0° | 174.6° |
